USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 757 hydrogens (27 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 53 MET CE :methyl -171:sc= -0.166 (180deg=-0.403) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc=-0.00792 USER MOD Set 2.1: A 88 GLN :FLIP amide:sc= 0.216 F(o=0.27,f=0.78) USER MOD Set 2.2: A 89 SER OG : rot -89:sc= 0.564 USER MOD Set 3.1: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 59 TYR OH : rot -35:sc= 1.63 USER MOD Set 4.2: A 63 LYS NZ :NH3+ 149:sc= 1.05 (180deg=0.112) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.13) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.845 K(o=0.85,f=-2.8!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -173:sc= 0 (180deg=-0.0671) USER MOD Single : A 48 THR OG1 : rot -150:sc= 0.0612 USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.14) USER MOD Single : A 54 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0.0647 USER MOD Single : A 58 GLN : amide:sc= 0.962 K(o=0.96,f=-0.55) USER MOD Single : A 64 GLN : amide:sc= 0.139 X(o=0.14,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.802! C(o=-0.8!,f=-1.3!) USER MOD Single : A 69 GLN : amide:sc= 0.858 K(o=0.86,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.612 K(o=0.61,f=-0.047) USER MOD Single : A 72 HIS : no HD1:sc= 1.02 K(o=1,f=-4.4!) USER MOD Single : A 73 MET CE :methyl -179:sc= -0.407 (180deg=-0.41) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 0:sc= -0.467 USER MOD Single : A 91 SER OG : rot 180:sc= 0.285 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -150:sc= -0.85 (180deg=-0.944) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0611 K(o=-0.061,f=-3.1!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.213 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 7.228 17.221 12.198 1.00 0.00 N ATOM 2 CA GLN A 23 8.314 16.339 11.760 1.00 0.00 C ATOM 3 C GLN A 23 7.795 14.990 11.229 1.00 0.00 C ATOM 4 O GLN A 23 6.759 14.482 11.671 1.00 0.00 O ATOM 5 CB GLN A 23 9.317 16.120 12.910 1.00 0.00 C ATOM 6 CG GLN A 23 10.026 17.415 13.345 1.00 0.00 C ATOM 7 CD GLN A 23 11.012 17.165 14.485 1.00 0.00 C ATOM 8 OE1 GLN A 23 10.716 17.362 15.658 1.00 0.00 O ATOM 9 NE2 GLN A 23 12.217 16.711 14.200 1.00 0.00 N ATOM 0 HA GLN A 23 8.820 16.833 10.930 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.793 15.694 13.766 1.00 0.00 H new ATOM 0 HB3 GLN A 23 10.064 15.390 12.599 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.555 17.843 12.494 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.283 18.148 13.660 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.482 16.541 13.230 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.884 16.530 14.950 1.00 0.00 H new ATOM 18 N ILE A 24 8.538 14.407 10.283 1.00 0.00 N ATOM 19 CA ILE A 24 8.222 13.143 9.600 1.00 0.00 C ATOM 20 C ILE A 24 9.096 11.992 10.129 1.00 0.00 C ATOM 21 O ILE A 24 10.246 12.193 10.521 1.00 0.00 O ATOM 22 CB ILE A 24 8.369 13.340 8.070 1.00 0.00 C ATOM 23 CG1 ILE A 24 7.345 14.344 7.496 1.00 0.00 C ATOM 24 CG2 ILE A 24 8.201 11.994 7.348 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.758 14.949 6.146 1.00 0.00 C ATOM 0 H ILE A 24 9.413 14.818 9.957 1.00 0.00 H new ATOM 0 HA ILE A 24 7.190 12.863 9.811 1.00 0.00 H new ATOM 0 HB ILE A 24 9.366 13.746 7.902 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.384 13.842 7.380 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.199 15.150 8.215 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.306 12.142 6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.964 11.297 7.695 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.213 11.586 7.563 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.989 15.644 5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.703 15.481 6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.876 14.153 5.411 1.00 0.00 H new ATOM 37 N ASN A 25 8.553 10.767 10.097 1.00 0.00 N ATOM 38 CA ASN A 25 9.178 9.538 10.603 1.00 0.00 C ATOM 39 C ASN A 25 9.461 8.506 9.484 1.00 0.00 C ATOM 40 O ASN A 25 9.204 7.308 9.619 1.00 0.00 O ATOM 41 CB ASN A 25 8.309 8.992 11.750 1.00 0.00 C ATOM 42 CG ASN A 25 7.830 10.038 12.751 1.00 0.00 C ATOM 43 OD1 ASN A 25 6.645 10.160 13.031 1.00 0.00 O ATOM 44 ND2 ASN A 25 8.708 10.841 13.312 1.00 0.00 N ATOM 0 H ASN A 25 7.628 10.599 9.701 1.00 0.00 H new ATOM 0 HA ASN A 25 10.168 9.764 10.998 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.438 8.496 11.321 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.877 8.232 12.286 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.398 11.555 13.972 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.699 10.750 13.087 1.00 0.00 H new ATOM 51 N GLN A 26 9.949 9.010 8.350 1.00 0.00 N ATOM 52 CA GLN A 26 10.125 8.324 7.057 1.00 0.00 C ATOM 53 C GLN A 26 11.580 8.370 6.561 1.00 0.00 C ATOM 54 O GLN A 26 12.493 8.757 7.289 1.00 0.00 O ATOM 55 CB GLN A 26 9.106 8.811 6.011 1.00 0.00 C ATOM 56 CG GLN A 26 7.649 8.559 6.416 1.00 0.00 C ATOM 57 CD GLN A 26 7.302 7.109 6.785 1.00 0.00 C ATOM 58 OE1 GLN A 26 6.555 6.848 7.718 1.00 0.00 O ATOM 59 NE2 GLN A 26 7.799 6.108 6.079 1.00 0.00 N ATOM 0 H GLN A 26 10.257 9.981 8.301 1.00 0.00 H new ATOM 0 HA GLN A 26 9.911 7.268 7.220 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.249 9.879 5.845 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.303 8.311 5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.412 9.198 7.267 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.004 8.870 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.424 6.297 5.296 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.557 5.146 6.317 1.00 0.00 H new ATOM 68 N VAL A 27 11.798 7.896 5.332 1.00 0.00 N ATOM 69 CA VAL A 27 13.132 7.615 4.764 1.00 0.00 C ATOM 70 C VAL A 27 13.629 8.658 3.759 1.00 0.00 C ATOM 71 O VAL A 27 12.847 9.293 3.053 1.00 0.00 O ATOM 72 CB VAL A 27 13.129 6.189 4.161 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.467 5.749 3.553 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.770 5.142 5.228 1.00 0.00 C ATOM 0 H VAL A 27 11.038 7.690 4.684 1.00 0.00 H new ATOM 0 HA VAL A 27 13.850 7.676 5.582 1.00 0.00 H new ATOM 0 HB VAL A 27 12.387 6.243 3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.371 4.739 3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.743 6.431 2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.239 5.764 4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.775 4.149 4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.502 5.179 6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.778 5.355 5.628 1.00 0.00 H new ATOM 84 N ARG A 28 14.958 8.848 3.717 1.00 0.00 N ATOM 85 CA ARG A 28 15.645 9.801 2.837 1.00 0.00 C ATOM 86 C ARG A 28 16.137 9.179 1.513 1.00 0.00 C ATOM 87 O ARG A 28 16.643 8.055 1.524 1.00 0.00 O ATOM 88 CB ARG A 28 16.776 10.508 3.611 1.00 0.00 C ATOM 89 CG ARG A 28 17.995 9.645 3.978 1.00 0.00 C ATOM 90 CD ARG A 28 19.038 10.496 4.713 1.00 0.00 C ATOM 91 NE ARG A 28 20.222 9.695 5.085 1.00 0.00 N ATOM 92 CZ ARG A 28 21.299 10.125 5.721 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.431 11.365 6.104 1.00 0.00 N ATOM 94 NH2 ARG A 28 22.277 9.307 5.989 1.00 0.00 N ATOM 0 H ARG A 28 15.601 8.326 4.313 1.00 0.00 H new ATOM 0 HA ARG A 28 14.911 10.547 2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.122 11.353 3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.357 10.917 4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.684 8.811 4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.433 9.217 3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.344 11.327 4.078 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.592 10.927 5.609 1.00 0.00 H new ATOM 0 HE ARG A 28 20.208 8.709 4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.689 12.039 5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.276 11.661 6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 28 22.215 8.328 5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 28 23.105 9.645 6.480 1.00 0.00 H new ATOM 108 N PRO A 29 16.021 9.893 0.378 1.00 0.00 N ATOM 109 CA PRO A 29 16.650 9.522 -0.893 1.00 0.00 C ATOM 110 C PRO A 29 18.136 9.942 -0.911 1.00 0.00 C ATOM 111 O PRO A 29 18.601 10.676 -0.034 1.00 0.00 O ATOM 112 CB PRO A 29 15.836 10.296 -1.923 1.00 0.00 C ATOM 113 CG PRO A 29 15.499 11.605 -1.214 1.00 0.00 C ATOM 114 CD PRO A 29 15.287 11.148 0.226 1.00 0.00 C ATOM 0 HA PRO A 29 16.651 8.448 -1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.407 10.471 -2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.935 9.754 -2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 29 16.307 12.332 -1.295 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.606 12.074 -1.628 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.652 11.898 0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.227 11.005 0.435 1.00 0.00 H new ATOM 122 N LYS A 30 18.881 9.524 -1.943 1.00 0.00 N ATOM 123 CA LYS A 30 20.246 10.017 -2.215 1.00 0.00 C ATOM 124 C LYS A 30 20.237 11.489 -2.676 1.00 0.00 C ATOM 125 O LYS A 30 19.209 12.029 -3.089 1.00 0.00 O ATOM 126 CB LYS A 30 20.929 9.082 -3.235 1.00 0.00 C ATOM 127 CG LYS A 30 22.462 9.039 -3.111 1.00 0.00 C ATOM 128 CD LYS A 30 23.088 8.319 -4.312 1.00 0.00 C ATOM 129 CE LYS A 30 24.613 8.242 -4.135 1.00 0.00 C ATOM 130 NZ LYS A 30 25.271 7.519 -5.260 1.00 0.00 N ATOM 0 H LYS A 30 18.556 8.832 -2.618 1.00 0.00 H new ATOM 0 HA LYS A 30 20.826 10.000 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.536 8.073 -3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.664 9.404 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.854 10.054 -3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.742 8.529 -2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.672 7.316 -4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.846 8.850 -5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.021 9.250 -4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.844 7.738 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.298 7.490 -5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 24.901 6.548 -5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 25.073 8.013 -6.153 1.00 0.00 H new ATOM 144 N LEU A 31 21.412 12.121 -2.661 1.00 0.00 N ATOM 145 CA LEU A 31 21.656 13.523 -3.013 1.00 0.00 C ATOM 146 C LEU A 31 21.034 14.001 -4.347 1.00 0.00 C ATOM 147 O LEU A 31 20.400 15.054 -4.311 1.00 0.00 O ATOM 148 CB LEU A 31 23.182 13.749 -2.941 1.00 0.00 C ATOM 149 CG LEU A 31 23.642 15.192 -3.206 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.065 16.188 -2.197 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.167 15.268 -3.139 1.00 0.00 C ATOM 0 H LEU A 31 22.269 11.641 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 31 21.131 14.150 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.532 13.448 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.665 13.092 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 31 23.278 15.462 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.422 17.191 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 31 21.976 16.169 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.385 15.914 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.489 16.292 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.504 14.958 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.598 14.608 -3.892 1.00 0.00 H new ATOM 163 N PRO A 32 21.132 13.296 -5.499 1.00 0.00 N ATOM 164 CA PRO A 32 20.525 13.773 -6.751 1.00 0.00 C ATOM 165 C PRO A 32 18.999 13.871 -6.687 1.00 0.00 C ATOM 166 O PRO A 32 18.438 14.876 -7.124 1.00 0.00 O ATOM 167 CB PRO A 32 20.995 12.816 -7.853 1.00 0.00 C ATOM 168 CG PRO A 32 21.405 11.555 -7.095 1.00 0.00 C ATOM 169 CD PRO A 32 21.928 12.105 -5.770 1.00 0.00 C ATOM 0 HA PRO A 32 20.846 14.795 -6.952 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.200 12.610 -8.569 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.830 13.234 -8.415 1.00 0.00 H new ATOM 0 HG2 PRO A 32 20.561 10.881 -6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.171 10.994 -7.630 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.820 11.371 -4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 32 22.988 12.349 -5.838 1.00 0.00 H new ATOM 177 N LEU A 33 18.326 12.889 -6.074 1.00 0.00 N ATOM 178 CA LEU A 33 16.887 12.993 -5.797 1.00 0.00 C ATOM 179 C LEU A 33 16.589 14.167 -4.867 1.00 0.00 C ATOM 180 O LEU A 33 15.725 14.990 -5.159 1.00 0.00 O ATOM 181 CB LEU A 33 16.372 11.698 -5.148 1.00 0.00 C ATOM 182 CG LEU A 33 15.598 10.760 -6.074 1.00 0.00 C ATOM 183 CD1 LEU A 33 15.234 9.485 -5.313 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.274 11.383 -6.535 1.00 0.00 C ATOM 0 H LEU A 33 18.752 12.017 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 33 16.380 13.156 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.223 11.154 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.729 11.964 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 33 16.236 10.561 -6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.682 8.814 -5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.145 8.992 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.616 9.739 -4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.753 10.686 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.651 11.598 -5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.476 12.308 -7.075 1.00 0.00 H new ATOM 196 N LEU A 34 17.318 14.263 -3.755 1.00 0.00 N ATOM 197 CA LEU A 34 17.107 15.309 -2.756 1.00 0.00 C ATOM 198 C LEU A 34 17.255 16.705 -3.391 1.00 0.00 C ATOM 199 O LEU A 34 16.419 17.564 -3.134 1.00 0.00 O ATOM 200 CB LEU A 34 18.077 15.030 -1.585 1.00 0.00 C ATOM 201 CG LEU A 34 17.870 15.786 -0.259 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.366 17.229 -0.310 1.00 0.00 C ATOM 203 CD2 LEU A 34 16.414 15.758 0.210 1.00 0.00 C ATOM 0 H LEU A 34 18.072 13.617 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 34 16.091 15.297 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.035 13.963 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.087 15.244 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 34 18.479 15.247 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.192 17.708 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.433 17.239 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.828 17.772 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 34 16.323 16.305 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.780 16.224 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.100 14.725 0.360 1.00 0.00 H new ATOM 215 N LYS A 35 18.209 16.905 -4.314 1.00 0.00 N ATOM 216 CA LYS A 35 18.373 18.140 -5.098 1.00 0.00 C ATOM 217 C LYS A 35 17.142 18.512 -5.932 1.00 0.00 C ATOM 218 O LYS A 35 16.694 19.650 -5.855 1.00 0.00 O ATOM 219 CB LYS A 35 19.632 18.026 -5.987 1.00 0.00 C ATOM 220 CG LYS A 35 20.369 19.370 -6.083 1.00 0.00 C ATOM 221 CD LYS A 35 21.154 19.674 -4.791 1.00 0.00 C ATOM 222 CE LYS A 35 22.531 18.990 -4.719 1.00 0.00 C ATOM 223 NZ LYS A 35 23.535 19.628 -5.620 1.00 0.00 N ATOM 0 H LYS A 35 18.905 16.195 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 35 18.494 18.955 -4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.302 17.270 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.347 17.693 -6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.054 19.352 -6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.651 20.168 -6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.290 20.752 -4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.558 19.360 -3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.896 19.023 -3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.425 17.938 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.444 19.131 -5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.202 19.574 -6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.659 20.625 -5.351 1.00 0.00 H new ATOM 237 N ILE A 36 16.559 17.564 -6.671 1.00 0.00 N ATOM 238 CA ILE A 36 15.310 17.736 -7.447 1.00 0.00 C ATOM 239 C ILE A 36 14.167 18.146 -6.493 1.00 0.00 C ATOM 240 O ILE A 36 13.480 19.137 -6.723 1.00 0.00 O ATOM 241 CB ILE A 36 14.979 16.426 -8.194 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.076 16.137 -9.242 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.607 16.498 -8.894 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.172 14.652 -9.586 1.00 0.00 C ATOM 0 H ILE A 36 16.948 16.625 -6.754 1.00 0.00 H new ATOM 0 HA ILE A 36 15.435 18.524 -8.189 1.00 0.00 H new ATOM 0 HB ILE A 36 14.939 15.623 -7.458 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.868 16.705 -10.149 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.038 16.483 -8.863 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.411 15.557 -9.408 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.829 16.675 -8.152 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.610 17.313 -9.618 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.957 14.500 -10.327 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.408 14.084 -8.686 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.220 14.310 -9.991 1.00 0.00 H new ATOM 256 N LEU A 37 14.000 17.429 -5.373 1.00 0.00 N ATOM 257 CA LEU A 37 12.938 17.628 -4.385 1.00 0.00 C ATOM 258 C LEU A 37 13.070 18.982 -3.669 1.00 0.00 C ATOM 259 O LEU A 37 12.086 19.690 -3.469 1.00 0.00 O ATOM 260 CB LEU A 37 13.022 16.437 -3.404 1.00 0.00 C ATOM 261 CG LEU A 37 12.403 15.109 -3.881 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.393 14.775 -5.377 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.999 13.931 -3.113 1.00 0.00 C ATOM 0 H LEU A 37 14.628 16.665 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 37 11.960 17.657 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.072 16.260 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.534 16.726 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 37 11.349 15.280 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.920 13.805 -5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.835 15.540 -5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.417 14.742 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.549 13.002 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 37 14.076 13.897 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.798 14.052 -2.049 1.00 0.00 H new ATOM 275 N HIS A 38 14.290 19.392 -3.330 1.00 0.00 N ATOM 276 CA HIS A 38 14.581 20.684 -2.700 1.00 0.00 C ATOM 277 C HIS A 38 14.458 21.845 -3.680 1.00 0.00 C ATOM 278 O HIS A 38 13.832 22.844 -3.333 1.00 0.00 O ATOM 279 CB HIS A 38 15.965 20.624 -2.039 1.00 0.00 C ATOM 280 CG HIS A 38 15.914 20.057 -0.638 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.762 20.404 0.420 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.956 19.206 -0.169 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.297 19.741 1.495 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.212 19.018 1.170 1.00 0.00 N ATOM 0 H HIS A 38 15.124 18.826 -3.488 1.00 0.00 H new ATOM 0 HA HIS A 38 13.834 20.874 -1.930 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.630 20.014 -2.650 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.392 21.626 -2.006 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.152 18.765 -0.739 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.735 19.784 2.481 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.672 18.431 1.806 1.00 0.00 H new ATOM 292 N ALA A 39 14.908 21.681 -4.928 1.00 0.00 N ATOM 293 CA ALA A 39 14.673 22.653 -5.998 1.00 0.00 C ATOM 294 C ALA A 39 13.171 22.848 -6.279 1.00 0.00 C ATOM 295 O ALA A 39 12.767 23.911 -6.757 1.00 0.00 O ATOM 296 CB ALA A 39 15.454 22.205 -7.234 1.00 0.00 C ATOM 0 H ALA A 39 15.447 20.867 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 39 15.032 23.635 -5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.293 22.916 -8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.517 22.161 -6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.110 21.218 -7.544 1.00 0.00 H new ATOM 302 N ALA A 40 12.340 21.861 -5.921 1.00 0.00 N ATOM 303 CA ALA A 40 10.891 21.995 -5.921 1.00 0.00 C ATOM 304 C ALA A 40 10.324 22.643 -4.640 1.00 0.00 C ATOM 305 O ALA A 40 9.240 23.222 -4.703 1.00 0.00 O ATOM 306 CB ALA A 40 10.267 20.615 -6.138 1.00 0.00 C ATOM 0 H ALA A 40 12.665 20.942 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 40 10.631 22.673 -6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.181 20.703 -6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.600 20.211 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.575 19.946 -5.335 1.00 0.00 H new ATOM 312 N GLY A 41 11.015 22.548 -3.493 1.00 0.00 N ATOM 313 CA GLY A 41 10.553 23.055 -2.193 1.00 0.00 C ATOM 314 C GLY A 41 9.952 21.984 -1.268 1.00 0.00 C ATOM 315 O GLY A 41 8.886 22.207 -0.689 1.00 0.00 O ATOM 0 H GLY A 41 11.933 22.106 -3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.392 23.528 -1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.806 23.830 -2.364 1.00 0.00 H new ATOM 319 N ALA A 42 10.601 20.819 -1.138 1.00 0.00 N ATOM 320 CA ALA A 42 10.187 19.751 -0.216 1.00 0.00 C ATOM 321 C ALA A 42 10.143 20.182 1.265 1.00 0.00 C ATOM 322 O ALA A 42 10.865 21.086 1.696 1.00 0.00 O ATOM 323 CB ALA A 42 11.083 18.525 -0.409 1.00 0.00 C ATOM 0 H ALA A 42 11.437 20.589 -1.675 1.00 0.00 H new ATOM 0 HA ALA A 42 9.157 19.500 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.773 17.736 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.996 18.169 -1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.119 18.796 -0.205 1.00 0.00 H new ATOM 329 N GLN A 43 9.312 19.494 2.058 1.00 0.00 N ATOM 330 CA GLN A 43 8.989 19.846 3.452 1.00 0.00 C ATOM 331 C GLN A 43 9.878 19.113 4.487 1.00 0.00 C ATOM 332 O GLN A 43 9.459 18.831 5.612 1.00 0.00 O ATOM 333 CB GLN A 43 7.471 19.666 3.662 1.00 0.00 C ATOM 334 CG GLN A 43 6.898 20.544 4.789 1.00 0.00 C ATOM 335 CD GLN A 43 5.387 20.367 4.931 1.00 0.00 C ATOM 336 OE1 GLN A 43 4.893 19.623 5.771 1.00 0.00 O ATOM 337 NE2 GLN A 43 4.587 21.032 4.120 1.00 0.00 N ATOM 0 H GLN A 43 8.831 18.652 1.741 1.00 0.00 H new ATOM 0 HA GLN A 43 9.230 20.894 3.631 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.953 19.900 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.265 18.620 3.887 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.384 20.290 5.731 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.124 21.591 4.586 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.979 21.656 3.415 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.576 20.923 4.198 1.00 0.00 H new ATOM 346 N GLY A 44 11.108 18.769 4.093 1.00 0.00 N ATOM 347 CA GLY A 44 12.069 18.010 4.901 1.00 0.00 C ATOM 348 C GLY A 44 13.106 17.268 4.056 1.00 0.00 C ATOM 349 O GLY A 44 13.394 17.648 2.921 1.00 0.00 O ATOM 0 H GLY A 44 11.474 19.019 3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.582 18.691 5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.529 17.291 5.518 1.00 0.00 H new ATOM 353 N GLU A 45 13.652 16.186 4.614 1.00 0.00 N ATOM 354 CA GLU A 45 14.600 15.265 3.954 1.00 0.00 C ATOM 355 C GLU A 45 14.165 13.783 4.050 1.00 0.00 C ATOM 356 O GLU A 45 14.871 12.899 3.575 1.00 0.00 O ATOM 357 CB GLU A 45 16.008 15.460 4.550 1.00 0.00 C ATOM 358 CG GLU A 45 16.560 16.883 4.382 1.00 0.00 C ATOM 359 CD GLU A 45 17.995 16.980 4.933 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.965 16.733 4.174 1.00 0.00 O ATOM 361 OE2 GLU A 45 18.170 17.311 6.132 1.00 0.00 O ATOM 0 H GLU A 45 13.443 15.910 5.574 1.00 0.00 H new ATOM 0 HA GLU A 45 14.611 15.511 2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.980 15.214 5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.693 14.756 4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.551 17.160 3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.917 17.592 4.903 1.00 0.00 H new ATOM 368 N MET A 46 13.015 13.505 4.674 1.00 0.00 N ATOM 369 CA MET A 46 12.501 12.179 5.061 1.00 0.00 C ATOM 370 C MET A 46 11.032 12.079 4.631 1.00 0.00 C ATOM 371 O MET A 46 10.206 12.827 5.148 1.00 0.00 O ATOM 372 CB MET A 46 12.594 12.060 6.593 1.00 0.00 C ATOM 373 CG MET A 46 14.033 11.830 7.063 1.00 0.00 C ATOM 374 SD MET A 46 14.240 11.611 8.856 1.00 0.00 S ATOM 375 CE MET A 46 13.776 13.258 9.465 1.00 0.00 C ATOM 0 H MET A 46 12.372 14.250 4.942 1.00 0.00 H new ATOM 0 HA MET A 46 13.077 11.384 4.586 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.203 12.968 7.052 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.966 11.236 6.932 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.426 10.947 6.558 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.641 12.677 6.745 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.972 13.319 10.536 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.362 14.016 8.946 1.00 0.00 H new ATOM 0 HE3 MET A 46 12.716 13.429 9.280 1.00 0.00 H new ATOM 385 N PHE A 47 10.694 11.191 3.691 1.00 0.00 N ATOM 386 CA PHE A 47 9.328 11.076 3.132 1.00 0.00 C ATOM 387 C PHE A 47 9.013 9.669 2.576 1.00 0.00 C ATOM 388 O PHE A 47 9.901 8.842 2.373 1.00 0.00 O ATOM 389 CB PHE A 47 9.104 12.131 2.025 1.00 0.00 C ATOM 390 CG PHE A 47 10.212 13.141 1.801 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.440 12.713 1.267 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.030 14.490 2.154 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.470 13.639 1.057 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.041 15.427 1.886 1.00 0.00 C ATOM 395 CZ PHE A 47 12.258 15.004 1.324 1.00 0.00 C ATOM 0 H PHE A 47 11.356 10.527 3.290 1.00 0.00 H new ATOM 0 HA PHE A 47 8.645 11.255 3.963 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.931 11.605 1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.190 12.677 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.589 11.672 1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.114 14.805 2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.429 13.304 0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.884 16.471 2.111 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.029 15.726 1.098 1.00 0.00 H new ATOM 405 N THR A 48 7.734 9.400 2.306 1.00 0.00 N ATOM 406 CA THR A 48 7.232 8.213 1.578 1.00 0.00 C ATOM 407 C THR A 48 7.234 8.417 0.059 1.00 0.00 C ATOM 408 O THR A 48 7.293 9.547 -0.418 1.00 0.00 O ATOM 409 CB THR A 48 5.811 7.849 2.064 1.00 0.00 C ATOM 410 OG1 THR A 48 5.114 9.005 2.473 1.00 0.00 O ATOM 411 CG2 THR A 48 5.887 6.906 3.254 1.00 0.00 C ATOM 0 H THR A 48 6.981 10.024 2.597 1.00 0.00 H new ATOM 0 HA THR A 48 7.913 7.390 1.795 1.00 0.00 H new ATOM 0 HB THR A 48 5.290 7.373 1.233 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.475 8.769 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.879 6.658 3.586 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.408 5.994 2.963 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.428 7.389 4.067 1.00 0.00 H new ATOM 419 N VAL A 49 7.097 7.323 -0.709 1.00 0.00 N ATOM 420 CA VAL A 49 7.044 7.257 -2.187 1.00 0.00 C ATOM 421 C VAL A 49 6.067 8.283 -2.759 1.00 0.00 C ATOM 422 O VAL A 49 6.374 9.015 -3.701 1.00 0.00 O ATOM 423 CB VAL A 49 6.715 5.821 -2.653 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.310 5.319 -2.305 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.941 5.645 -4.157 1.00 0.00 C ATOM 0 H VAL A 49 7.014 6.397 -0.290 1.00 0.00 H new ATOM 0 HA VAL A 49 8.029 7.514 -2.576 1.00 0.00 H new ATOM 0 HB VAL A 49 7.414 5.209 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.184 4.302 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.178 5.328 -1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.567 5.969 -2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.698 4.622 -4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.301 6.337 -4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.985 5.851 -4.395 1.00 0.00 H new ATOM 435 N LYS A 50 4.917 8.392 -2.090 1.00 0.00 N ATOM 436 CA LYS A 50 3.808 9.257 -2.460 1.00 0.00 C ATOM 437 C LYS A 50 4.121 10.751 -2.296 1.00 0.00 C ATOM 438 O LYS A 50 3.657 11.570 -3.085 1.00 0.00 O ATOM 439 CB LYS A 50 2.589 8.770 -1.663 1.00 0.00 C ATOM 440 CG LYS A 50 2.521 9.285 -0.216 1.00 0.00 C ATOM 441 CD LYS A 50 1.367 8.632 0.558 1.00 0.00 C ATOM 442 CE LYS A 50 1.327 9.100 2.020 1.00 0.00 C ATOM 443 NZ LYS A 50 0.818 10.492 2.166 1.00 0.00 N ATOM 0 H LYS A 50 4.731 7.856 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 50 3.599 9.183 -3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.683 9.077 -2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.594 7.680 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.464 9.078 0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.392 10.367 -0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.421 8.873 0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.475 7.548 0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.695 8.424 2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.329 9.038 2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.556 10.664 3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.559 11.164 1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.017 10.622 1.560 1.00 0.00 H new ATOM 457 N GLU A 51 4.945 11.100 -1.305 1.00 0.00 N ATOM 458 CA GLU A 51 5.443 12.460 -1.077 1.00 0.00 C ATOM 459 C GLU A 51 6.621 12.788 -2.004 1.00 0.00 C ATOM 460 O GLU A 51 6.587 13.810 -2.687 1.00 0.00 O ATOM 461 CB GLU A 51 5.839 12.643 0.394 1.00 0.00 C ATOM 462 CG GLU A 51 4.713 12.359 1.400 1.00 0.00 C ATOM 463 CD GLU A 51 3.446 13.211 1.182 1.00 0.00 C ATOM 464 OE1 GLU A 51 3.550 14.443 0.969 1.00 0.00 O ATOM 465 OE2 GLU A 51 2.327 12.646 1.255 1.00 0.00 O ATOM 0 H GLU A 51 5.294 10.428 -0.621 1.00 0.00 H new ATOM 0 HA GLU A 51 4.638 13.157 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.680 11.985 0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.188 13.666 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.444 11.304 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.088 12.535 2.408 1.00 0.00 H new ATOM 472 N VAL A 52 7.628 11.904 -2.112 1.00 0.00 N ATOM 473 CA VAL A 52 8.775 12.125 -3.014 1.00 0.00 C ATOM 474 C VAL A 52 8.345 12.362 -4.459 1.00 0.00 C ATOM 475 O VAL A 52 8.763 13.334 -5.086 1.00 0.00 O ATOM 476 CB VAL A 52 9.834 11.015 -2.954 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.563 11.018 -1.611 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.361 9.604 -3.227 1.00 0.00 C ATOM 0 H VAL A 52 7.672 11.030 -1.587 1.00 0.00 H new ATOM 0 HA VAL A 52 9.243 13.035 -2.638 1.00 0.00 H new ATOM 0 HB VAL A 52 10.494 11.276 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.306 10.221 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.058 11.978 -1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.845 10.857 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.204 8.917 -3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.602 9.327 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.935 9.550 -4.229 1.00 0.00 H new ATOM 488 N MET A 53 7.449 11.518 -4.966 1.00 0.00 N ATOM 489 CA MET A 53 6.872 11.701 -6.302 1.00 0.00 C ATOM 490 C MET A 53 5.942 12.924 -6.427 1.00 0.00 C ATOM 491 O MET A 53 5.820 13.466 -7.523 1.00 0.00 O ATOM 492 CB MET A 53 6.236 10.406 -6.825 1.00 0.00 C ATOM 493 CG MET A 53 4.810 10.172 -6.310 1.00 0.00 C ATOM 494 SD MET A 53 4.071 8.595 -6.813 1.00 0.00 S ATOM 495 CE MET A 53 4.044 8.823 -8.613 1.00 0.00 C ATOM 0 H MET A 53 7.103 10.696 -4.471 1.00 0.00 H new ATOM 0 HA MET A 53 7.710 11.936 -6.958 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.220 10.433 -7.915 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.861 9.561 -6.536 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.819 10.222 -5.221 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.174 10.984 -6.662 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.475 8.016 -9.074 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.577 9.778 -8.852 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.064 8.812 -8.996 1.00 0.00 H new ATOM 505 N HIS A 54 5.337 13.426 -5.342 1.00 0.00 N ATOM 506 CA HIS A 54 4.561 14.678 -5.397 1.00 0.00 C ATOM 507 C HIS A 54 5.484 15.872 -5.653 1.00 0.00 C ATOM 508 O HIS A 54 5.167 16.743 -6.466 1.00 0.00 O ATOM 509 CB HIS A 54 3.749 14.878 -4.111 1.00 0.00 C ATOM 510 CG HIS A 54 2.924 16.143 -4.133 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.669 16.287 -4.733 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.309 17.346 -3.615 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.327 17.577 -4.562 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.293 18.234 -3.895 1.00 0.00 N ATOM 0 H HIS A 54 5.368 12.990 -4.420 1.00 0.00 H new ATOM 0 HA HIS A 54 3.858 14.607 -6.227 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.090 14.022 -3.965 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.428 14.907 -3.258 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.228 17.560 -3.090 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.407 18.022 -4.911 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.276 19.221 -3.640 1.00 0.00 H new ATOM 522 N TYR A 55 6.677 15.864 -5.048 1.00 0.00 N ATOM 523 CA TYR A 55 7.707 16.854 -5.356 1.00 0.00 C ATOM 524 C TYR A 55 8.213 16.756 -6.800 1.00 0.00 C ATOM 525 O TYR A 55 8.554 17.792 -7.354 1.00 0.00 O ATOM 526 CB TYR A 55 8.875 16.780 -4.369 1.00 0.00 C ATOM 527 CG TYR A 55 8.476 16.878 -2.910 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.676 17.943 -2.454 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.896 15.888 -2.008 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.260 17.993 -1.110 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.498 15.940 -0.662 1.00 0.00 C ATOM 532 CZ TYR A 55 7.678 16.995 -0.206 1.00 0.00 C ATOM 533 OH TYR A 55 7.326 17.090 1.107 1.00 0.00 O ATOM 0 H TYR A 55 6.950 15.181 -4.342 1.00 0.00 H new ATOM 0 HA TYR A 55 7.228 17.828 -5.250 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.406 15.841 -4.525 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.576 17.584 -4.595 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.380 18.725 -3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.528 15.082 -2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.621 18.795 -0.772 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.820 15.172 0.025 1.00 0.00 H new ATOM 0 HH TYR A 55 7.690 16.325 1.599 1.00 0.00 H new ATOM 543 N LEU A 56 8.198 15.584 -7.455 1.00 0.00 N ATOM 544 CA LEU A 56 8.477 15.503 -8.900 1.00 0.00 C ATOM 545 C LEU A 56 7.397 16.233 -9.703 1.00 0.00 C ATOM 546 O LEU A 56 7.717 17.055 -10.557 1.00 0.00 O ATOM 547 CB LEU A 56 8.538 14.055 -9.408 1.00 0.00 C ATOM 548 CG LEU A 56 9.538 13.119 -8.732 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.289 11.702 -9.241 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.983 13.520 -9.006 1.00 0.00 C ATOM 0 H LEU A 56 7.998 14.687 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 56 9.451 15.971 -9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.544 13.619 -9.305 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.766 14.080 -10.474 1.00 0.00 H new ATOM 0 HG LEU A 56 9.391 13.178 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.994 11.017 -8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.271 11.401 -8.995 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.424 11.675 -10.322 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.655 12.824 -8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.170 13.495 -10.079 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.158 14.528 -8.631 1.00 0.00 H new ATOM 562 N GLY A 57 6.122 15.976 -9.401 1.00 0.00 N ATOM 563 CA GLY A 57 5.002 16.626 -10.080 1.00 0.00 C ATOM 564 C GLY A 57 5.044 18.150 -9.945 1.00 0.00 C ATOM 565 O GLY A 57 5.017 18.864 -10.951 1.00 0.00 O ATOM 0 H GLY A 57 5.839 15.312 -8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.015 16.357 -11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.064 16.253 -9.668 1.00 0.00 H new ATOM 569 N GLN A 58 5.260 18.661 -8.726 1.00 0.00 N ATOM 570 CA GLN A 58 5.407 20.103 -8.503 1.00 0.00 C ATOM 571 C GLN A 58 6.704 20.657 -9.115 1.00 0.00 C ATOM 572 O GLN A 58 6.694 21.779 -9.616 1.00 0.00 O ATOM 573 CB GLN A 58 5.235 20.458 -7.012 1.00 0.00 C ATOM 574 CG GLN A 58 6.549 20.614 -6.224 1.00 0.00 C ATOM 575 CD GLN A 58 6.330 20.753 -4.712 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.423 20.183 -4.121 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.177 21.477 -4.014 1.00 0.00 N ATOM 0 H GLN A 58 5.337 18.096 -7.880 1.00 0.00 H new ATOM 0 HA GLN A 58 4.599 20.605 -9.036 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.672 21.388 -6.938 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.634 19.683 -6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.185 19.750 -6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.083 21.491 -6.590 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.942 21.962 -4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.070 21.554 -3.003 1.00 0.00 H new ATOM 586 N TYR A 59 7.801 19.883 -9.125 1.00 0.00 N ATOM 587 CA TYR A 59 9.060 20.272 -9.759 1.00 0.00 C ATOM 588 C TYR A 59 8.853 20.475 -11.258 1.00 0.00 C ATOM 589 O TYR A 59 9.199 21.517 -11.789 1.00 0.00 O ATOM 590 CB TYR A 59 10.140 19.207 -9.546 1.00 0.00 C ATOM 591 CG TYR A 59 11.467 19.510 -10.201 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.709 19.072 -11.517 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.471 20.186 -9.485 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.989 19.211 -12.084 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.751 20.318 -10.046 1.00 0.00 C ATOM 596 CZ TYR A 59 14.023 19.799 -11.324 1.00 0.00 C ATOM 597 OH TYR A 59 15.276 19.939 -11.815 1.00 0.00 O ATOM 0 H TYR A 59 7.834 18.962 -8.688 1.00 0.00 H new ATOM 0 HA TYR A 59 9.388 21.204 -9.299 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.300 19.081 -8.475 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.772 18.255 -9.928 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.910 18.628 -12.093 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.259 20.601 -8.511 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.179 18.871 -13.091 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.531 20.821 -9.493 1.00 0.00 H new ATOM 0 HH TYR A 59 15.492 19.171 -12.384 1.00 0.00 H new ATOM 607 N ILE A 60 8.239 19.515 -11.951 1.00 0.00 N ATOM 608 CA ILE A 60 7.961 19.611 -13.391 1.00 0.00 C ATOM 609 C ILE A 60 7.029 20.795 -13.669 1.00 0.00 C ATOM 610 O ILE A 60 7.275 21.570 -14.594 1.00 0.00 O ATOM 611 CB ILE A 60 7.357 18.280 -13.879 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.354 17.110 -13.741 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.887 18.383 -15.338 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.601 15.789 -13.572 1.00 0.00 C ATOM 0 H ILE A 60 7.918 18.643 -11.530 1.00 0.00 H new ATOM 0 HA ILE A 60 8.886 19.789 -13.940 1.00 0.00 H new ATOM 0 HB ILE A 60 6.497 18.077 -13.241 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.993 17.062 -14.623 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.006 17.278 -12.883 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.466 17.428 -15.653 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.127 19.160 -15.421 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.734 18.634 -15.976 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.316 14.972 -13.476 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.981 15.836 -12.677 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.969 15.617 -14.443 1.00 0.00 H new ATOM 626 N MET A 61 6.003 20.979 -12.835 1.00 0.00 N ATOM 627 CA MET A 61 5.067 22.100 -12.930 1.00 0.00 C ATOM 628 C MET A 61 5.793 23.460 -12.826 1.00 0.00 C ATOM 629 O MET A 61 5.646 24.294 -13.720 1.00 0.00 O ATOM 630 CB MET A 61 3.967 21.882 -11.878 1.00 0.00 C ATOM 631 CG MET A 61 2.709 22.731 -12.095 1.00 0.00 C ATOM 632 SD MET A 61 2.884 24.509 -11.772 1.00 0.00 S ATOM 633 CE MET A 61 2.392 25.159 -13.393 1.00 0.00 C ATOM 0 H MET A 61 5.797 20.344 -12.064 1.00 0.00 H new ATOM 0 HA MET A 61 4.593 22.133 -13.911 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.685 20.829 -11.877 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.375 22.103 -10.892 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.379 22.600 -13.126 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.917 22.342 -11.455 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.441 26.248 -13.378 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.067 24.776 -14.159 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.373 24.844 -13.617 1.00 0.00 H new ATOM 643 N VAL A 62 6.660 23.661 -11.820 1.00 0.00 N ATOM 644 CA VAL A 62 7.434 24.912 -11.658 1.00 0.00 C ATOM 645 C VAL A 62 8.528 25.073 -12.725 1.00 0.00 C ATOM 646 O VAL A 62 8.682 26.151 -13.298 1.00 0.00 O ATOM 647 CB VAL A 62 7.972 25.060 -10.217 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.120 24.127 -9.829 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.470 26.475 -9.942 1.00 0.00 C ATOM 0 H VAL A 62 6.847 22.967 -11.097 1.00 0.00 H new ATOM 0 HA VAL A 62 6.744 25.740 -11.823 1.00 0.00 H new ATOM 0 HB VAL A 62 7.099 24.794 -9.620 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.414 24.321 -8.798 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.795 23.091 -9.925 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.970 24.303 -10.488 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.840 26.538 -8.919 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.276 26.718 -10.635 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.651 27.181 -10.076 1.00 0.00 H new ATOM 659 N LYS A 63 9.240 23.993 -13.064 1.00 0.00 N ATOM 660 CA LYS A 63 10.265 23.940 -14.126 1.00 0.00 C ATOM 661 C LYS A 63 9.713 23.903 -15.563 1.00 0.00 C ATOM 662 O LYS A 63 10.509 23.986 -16.495 1.00 0.00 O ATOM 663 CB LYS A 63 11.172 22.717 -13.907 1.00 0.00 C ATOM 664 CG LYS A 63 12.005 22.735 -12.621 1.00 0.00 C ATOM 665 CD LYS A 63 12.974 23.916 -12.507 1.00 0.00 C ATOM 666 CE LYS A 63 13.980 23.651 -11.377 1.00 0.00 C ATOM 667 NZ LYS A 63 15.179 22.900 -11.864 1.00 0.00 N ATOM 0 H LYS A 63 9.118 23.097 -12.593 1.00 0.00 H new ATOM 0 HA LYS A 63 10.818 24.875 -14.040 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.551 21.822 -13.904 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.849 22.632 -14.757 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.329 22.752 -11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.574 21.807 -12.559 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.501 24.059 -13.450 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.422 24.834 -12.308 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.297 24.599 -10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.494 23.084 -10.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.012 23.175 -11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.015 21.878 -11.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.345 23.124 -12.866 1.00 0.00 H new ATOM 681 N GLN A 64 8.390 23.756 -15.741 1.00 0.00 N ATOM 682 CA GLN A 64 7.649 23.485 -16.981 1.00 0.00 C ATOM 683 C GLN A 64 8.391 22.534 -17.923 1.00 0.00 C ATOM 684 O GLN A 64 8.728 22.874 -19.059 1.00 0.00 O ATOM 685 CB GLN A 64 7.045 24.743 -17.622 1.00 0.00 C ATOM 686 CG GLN A 64 8.093 25.795 -17.988 1.00 0.00 C ATOM 687 CD GLN A 64 7.845 27.118 -17.268 1.00 0.00 C ATOM 688 OE1 GLN A 64 7.488 28.129 -17.861 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.998 27.157 -15.960 1.00 0.00 N ATOM 0 H GLN A 64 7.755 23.831 -14.946 1.00 0.00 H new ATOM 0 HA GLN A 64 6.763 22.916 -16.699 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.497 24.458 -18.520 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.323 25.183 -16.934 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.085 25.423 -17.733 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.081 25.960 -19.065 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.295 26.321 -15.456 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.820 28.023 -15.451 1.00 0.00 H new ATOM 698 N LEU A 65 8.633 21.314 -17.425 1.00 0.00 N ATOM 699 CA LEU A 65 9.309 20.257 -18.165 1.00 0.00 C ATOM 700 C LEU A 65 8.282 19.389 -18.904 1.00 0.00 C ATOM 701 O LEU A 65 8.457 18.184 -18.987 1.00 0.00 O ATOM 702 CB LEU A 65 10.276 19.435 -17.271 1.00 0.00 C ATOM 703 CG LEU A 65 11.430 20.192 -16.596 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.345 19.208 -15.869 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.280 21.005 -17.571 1.00 0.00 C ATOM 0 H LEU A 65 8.358 21.037 -16.483 1.00 0.00 H new ATOM 0 HA LEU A 65 9.947 20.719 -18.918 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.686 18.954 -16.490 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.706 18.640 -17.881 1.00 0.00 H new ATOM 0 HG LEU A 65 10.963 20.890 -15.901 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.160 19.753 -15.393 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.774 18.673 -15.110 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.754 18.495 -16.585 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.075 21.513 -17.025 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.718 20.339 -18.314 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.654 21.744 -18.070 1.00 0.00 H new ATOM 717 N TYR A 66 7.172 19.961 -19.379 1.00 0.00 N ATOM 718 CA TYR A 66 6.115 19.228 -20.090 1.00 0.00 C ATOM 719 C TYR A 66 5.769 19.834 -21.460 1.00 0.00 C ATOM 720 O TYR A 66 6.019 21.015 -21.718 1.00 0.00 O ATOM 721 CB TYR A 66 4.866 19.049 -19.216 1.00 0.00 C ATOM 722 CG TYR A 66 4.300 20.343 -18.671 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.836 20.862 -17.484 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.292 21.044 -19.356 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.362 22.084 -16.968 1.00 0.00 C ATOM 726 CE2 TYR A 66 2.864 22.300 -18.884 1.00 0.00 C ATOM 727 CZ TYR A 66 3.388 22.818 -17.678 1.00 0.00 C ATOM 728 OH TYR A 66 2.970 24.021 -17.195 1.00 0.00 O ATOM 0 H TYR A 66 6.978 20.957 -19.281 1.00 0.00 H new ATOM 0 HA TYR A 66 6.522 18.238 -20.297 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.096 18.546 -19.801 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.111 18.393 -18.381 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.614 20.323 -16.964 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.846 20.620 -20.243 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.744 22.459 -16.030 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.135 22.867 -19.444 1.00 0.00 H new ATOM 0 HH TYR A 66 2.298 24.401 -17.799 1.00 0.00 H new ATOM 738 N ASP A 67 5.185 19.028 -22.351 1.00 0.00 N ATOM 739 CA ASP A 67 4.774 19.465 -23.692 1.00 0.00 C ATOM 740 C ASP A 67 3.507 20.330 -23.645 1.00 0.00 C ATOM 741 O ASP A 67 2.478 19.901 -23.124 1.00 0.00 O ATOM 742 CB ASP A 67 4.508 18.244 -24.587 1.00 0.00 C ATOM 743 CG ASP A 67 4.458 18.570 -26.095 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.026 19.689 -26.473 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.859 17.710 -26.910 1.00 0.00 O ATOM 0 H ASP A 67 4.982 18.046 -22.163 1.00 0.00 H new ATOM 0 HA ASP A 67 5.588 20.063 -24.101 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.287 17.502 -24.412 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.562 17.790 -24.292 1.00 0.00 H new ATOM 750 N GLN A 68 3.534 21.502 -24.284 1.00 0.00 N ATOM 751 CA GLN A 68 2.361 22.348 -24.534 1.00 0.00 C ATOM 752 C GLN A 68 1.131 21.583 -25.068 1.00 0.00 C ATOM 753 O GLN A 68 -0.004 21.803 -24.646 1.00 0.00 O ATOM 754 CB GLN A 68 2.695 23.475 -25.508 1.00 0.00 C ATOM 755 CG GLN A 68 3.556 23.117 -26.700 1.00 0.00 C ATOM 756 CD GLN A 68 5.061 23.101 -26.458 1.00 0.00 C ATOM 757 OE1 GLN A 68 5.718 24.120 -26.294 1.00 0.00 O ATOM 758 NE2 GLN A 68 5.646 21.924 -26.413 1.00 0.00 N ATOM 0 H GLN A 68 4.397 21.902 -24.653 1.00 0.00 H new ATOM 0 HA GLN A 68 2.095 22.749 -23.556 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.758 23.892 -25.879 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.198 24.266 -24.952 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.255 22.132 -27.057 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.345 23.825 -27.501 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.096 21.076 -26.550 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.649 21.859 -26.241 1.00 0.00 H new ATOM 767 N GLN A 69 1.391 20.689 -26.015 1.00 0.00 N ATOM 768 CA GLN A 69 0.408 19.901 -26.757 1.00 0.00 C ATOM 769 C GLN A 69 -0.078 18.661 -25.981 1.00 0.00 C ATOM 770 O GLN A 69 -1.155 18.134 -26.263 1.00 0.00 O ATOM 771 CB GLN A 69 1.022 19.492 -28.105 1.00 0.00 C ATOM 772 CG GLN A 69 1.312 20.702 -29.016 1.00 0.00 C ATOM 773 CD GLN A 69 2.590 20.540 -29.837 1.00 0.00 C ATOM 774 OE1 GLN A 69 2.586 20.544 -31.062 1.00 0.00 O ATOM 775 NE2 GLN A 69 3.737 20.423 -29.198 1.00 0.00 N ATOM 0 H GLN A 69 2.347 20.481 -26.304 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.475 20.521 -26.913 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.948 18.945 -27.927 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.343 18.810 -28.617 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.470 20.851 -29.691 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.392 21.600 -28.403 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.754 20.418 -28.178 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.607 20.337 -29.723 1.00 0.00 H new ATOM 784 N GLU A 70 0.707 18.204 -24.999 1.00 0.00 N ATOM 785 CA GLU A 70 0.444 17.016 -24.168 1.00 0.00 C ATOM 786 C GLU A 70 1.001 17.220 -22.749 1.00 0.00 C ATOM 787 O GLU A 70 2.107 16.800 -22.415 1.00 0.00 O ATOM 788 CB GLU A 70 1.032 15.740 -24.804 1.00 0.00 C ATOM 789 CG GLU A 70 0.213 15.213 -25.989 1.00 0.00 C ATOM 790 CD GLU A 70 0.549 13.737 -26.273 1.00 0.00 C ATOM 791 OE1 GLU A 70 0.006 12.848 -25.568 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.344 13.453 -27.203 1.00 0.00 O ATOM 0 H GLU A 70 1.580 18.669 -24.748 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.636 16.885 -24.105 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.049 15.946 -25.138 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.098 14.962 -24.044 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.851 15.314 -25.775 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.418 15.814 -26.875 1.00 0.00 H new ATOM 799 N GLN A 71 0.222 17.889 -21.897 1.00 0.00 N ATOM 800 CA GLN A 71 0.655 18.359 -20.572 1.00 0.00 C ATOM 801 C GLN A 71 1.077 17.232 -19.606 1.00 0.00 C ATOM 802 O GLN A 71 1.929 17.423 -18.740 1.00 0.00 O ATOM 803 CB GLN A 71 -0.517 19.127 -19.958 1.00 0.00 C ATOM 804 CG GLN A 71 -1.024 20.345 -20.748 1.00 0.00 C ATOM 805 CD GLN A 71 -0.101 21.555 -20.785 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.318 22.547 -20.101 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.935 21.560 -21.592 1.00 0.00 N ATOM 0 H GLN A 71 -0.747 18.126 -22.109 1.00 0.00 H new ATOM 0 HA GLN A 71 1.542 18.976 -20.715 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.348 18.434 -19.827 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.222 19.463 -18.964 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.218 20.031 -21.774 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.979 20.655 -20.323 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.134 20.744 -22.171 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.540 22.380 -21.640 1.00 0.00 H new ATOM 816 N HIS A 72 0.489 16.047 -19.768 1.00 0.00 N ATOM 817 CA HIS A 72 0.809 14.789 -19.092 1.00 0.00 C ATOM 818 C HIS A 72 2.098 14.106 -19.609 1.00 0.00 C ATOM 819 O HIS A 72 2.523 13.102 -19.040 1.00 0.00 O ATOM 820 CB HIS A 72 -0.427 13.889 -19.278 1.00 0.00 C ATOM 821 CG HIS A 72 -0.852 13.788 -20.718 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.684 14.702 -21.365 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.332 12.925 -21.634 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.654 14.368 -22.662 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.854 13.303 -22.856 1.00 0.00 N ATOM 0 H HIS A 72 -0.282 15.932 -20.425 1.00 0.00 H new ATOM 0 HA HIS A 72 1.025 14.979 -18.041 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.208 12.892 -18.896 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.252 14.283 -18.685 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.350 12.110 -21.444 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.196 14.881 -23.443 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.666 12.852 -23.751 1.00 0.00 H new ATOM 833 N MET A 73 2.731 14.616 -20.670 1.00 0.00 N ATOM 834 CA MET A 73 3.983 14.105 -21.243 1.00 0.00 C ATOM 835 C MET A 73 5.150 15.028 -20.847 1.00 0.00 C ATOM 836 O MET A 73 5.103 16.241 -21.071 1.00 0.00 O ATOM 837 CB MET A 73 3.828 13.963 -22.769 1.00 0.00 C ATOM 838 CG MET A 73 4.536 12.728 -23.342 1.00 0.00 C ATOM 839 SD MET A 73 6.298 12.517 -22.965 1.00 0.00 S ATOM 840 CE MET A 73 6.992 14.001 -23.735 1.00 0.00 C ATOM 0 H MET A 73 2.373 15.427 -21.174 1.00 0.00 H new ATOM 0 HA MET A 73 4.209 13.115 -20.846 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.768 13.912 -23.016 1.00 0.00 H new ATOM 0 HB3 MET A 73 4.225 14.856 -23.252 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.008 11.843 -22.986 1.00 0.00 H new ATOM 0 HG3 MET A 73 4.425 12.750 -24.426 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.074 14.007 -23.604 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.755 14.003 -24.799 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.565 14.888 -23.266 1.00 0.00 H new ATOM 850 N VAL A 74 6.199 14.462 -20.249 1.00 0.00 N ATOM 851 CA VAL A 74 7.302 15.188 -19.600 1.00 0.00 C ATOM 852 C VAL A 74 8.588 15.088 -20.444 1.00 0.00 C ATOM 853 O VAL A 74 8.990 13.992 -20.833 1.00 0.00 O ATOM 854 CB VAL A 74 7.541 14.610 -18.187 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.531 15.467 -17.397 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.246 14.529 -17.358 1.00 0.00 C ATOM 0 H VAL A 74 6.312 13.450 -20.199 1.00 0.00 H new ATOM 0 HA VAL A 74 7.032 16.241 -19.516 1.00 0.00 H new ATOM 0 HB VAL A 74 7.937 13.607 -18.347 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.678 15.034 -16.407 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.485 15.500 -17.924 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.137 16.478 -17.296 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.469 14.116 -16.374 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.823 15.527 -17.245 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.528 13.886 -17.867 1.00 0.00 H new ATOM 866 N TYR A 75 9.263 16.215 -20.685 1.00 0.00 N ATOM 867 CA TYR A 75 10.573 16.351 -21.337 1.00 0.00 C ATOM 868 C TYR A 75 11.635 16.882 -20.348 1.00 0.00 C ATOM 869 O TYR A 75 11.730 18.087 -20.109 1.00 0.00 O ATOM 870 CB TYR A 75 10.456 17.290 -22.550 1.00 0.00 C ATOM 871 CG TYR A 75 9.900 16.626 -23.788 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.610 15.551 -24.352 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.711 17.083 -24.391 1.00 0.00 C ATOM 874 CE1 TYR A 75 10.120 14.906 -25.496 1.00 0.00 C ATOM 875 CE2 TYR A 75 8.236 16.460 -25.562 1.00 0.00 C ATOM 876 CZ TYR A 75 8.938 15.364 -26.117 1.00 0.00 C ATOM 877 OH TYR A 75 8.478 14.740 -27.238 1.00 0.00 O ATOM 0 H TYR A 75 8.884 17.121 -20.411 1.00 0.00 H new ATOM 0 HA TYR A 75 10.894 15.365 -21.675 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.818 18.133 -22.284 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.441 17.696 -22.779 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.535 15.222 -23.903 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.166 17.908 -23.957 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.648 14.057 -25.903 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.335 16.819 -26.037 1.00 0.00 H new ATOM 0 HH TYR A 75 7.654 15.176 -27.540 1.00 0.00 H new ATOM 887 N CYS A 76 12.465 15.988 -19.802 1.00 0.00 N ATOM 888 CA CYS A 76 13.538 16.280 -18.837 1.00 0.00 C ATOM 889 C CYS A 76 14.955 16.364 -19.439 1.00 0.00 C ATOM 890 O CYS A 76 15.930 16.393 -18.686 1.00 0.00 O ATOM 891 CB CYS A 76 13.478 15.259 -17.690 1.00 0.00 C ATOM 892 SG CYS A 76 11.960 15.463 -16.722 1.00 0.00 S ATOM 0 H CYS A 76 12.407 14.995 -20.029 1.00 0.00 H new ATOM 0 HA CYS A 76 13.350 17.287 -18.464 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.523 14.248 -18.095 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.346 15.382 -17.043 1.00 0.00 H new ATOM 0 HG CYS A 76 11.257 16.438 -17.218 1.00 0.00 H new ATOM 898 N GLY A 77 15.107 16.384 -20.767 1.00 0.00 N ATOM 899 CA GLY A 77 16.422 16.418 -21.425 1.00 0.00 C ATOM 900 C GLY A 77 17.310 17.578 -20.942 1.00 0.00 C ATOM 901 O GLY A 77 16.926 18.747 -21.031 1.00 0.00 O ATOM 0 H GLY A 77 14.322 16.377 -21.419 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.937 15.475 -21.243 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.280 16.501 -22.503 1.00 0.00 H new ATOM 905 N GLY A 78 18.492 17.244 -20.412 1.00 0.00 N ATOM 906 CA GLY A 78 19.464 18.193 -19.847 1.00 0.00 C ATOM 907 C GLY A 78 19.199 18.649 -18.400 1.00 0.00 C ATOM 908 O GLY A 78 19.978 19.443 -17.869 1.00 0.00 O ATOM 0 H GLY A 78 18.810 16.276 -20.362 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.453 17.737 -19.888 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.493 19.076 -20.486 1.00 0.00 H new ATOM 912 N ASP A 79 18.135 18.169 -17.744 1.00 0.00 N ATOM 913 CA ASP A 79 17.798 18.502 -16.349 1.00 0.00 C ATOM 914 C ASP A 79 18.399 17.506 -15.330 1.00 0.00 C ATOM 915 O ASP A 79 18.710 16.366 -15.683 1.00 0.00 O ATOM 916 CB ASP A 79 16.270 18.578 -16.211 1.00 0.00 C ATOM 917 CG ASP A 79 15.874 19.280 -14.916 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.891 20.530 -14.856 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.606 18.561 -13.930 1.00 0.00 O ATOM 0 H ASP A 79 17.470 17.526 -18.174 1.00 0.00 H new ATOM 0 HA ASP A 79 18.243 19.469 -16.115 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.850 19.114 -17.063 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.849 17.573 -16.228 1.00 0.00 H new ATOM 924 N LEU A 80 18.501 17.891 -14.048 1.00 0.00 N ATOM 925 CA LEU A 80 18.866 16.978 -12.952 1.00 0.00 C ATOM 926 C LEU A 80 17.899 15.788 -12.883 1.00 0.00 C ATOM 927 O LEU A 80 18.331 14.638 -12.792 1.00 0.00 O ATOM 928 CB LEU A 80 18.833 17.730 -11.605 1.00 0.00 C ATOM 929 CG LEU A 80 19.940 17.363 -10.595 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.027 15.874 -10.265 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.314 17.843 -11.063 1.00 0.00 C ATOM 0 H LEU A 80 18.332 18.849 -13.741 1.00 0.00 H new ATOM 0 HA LEU A 80 19.872 16.606 -13.146 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.894 18.799 -11.808 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.866 17.549 -11.135 1.00 0.00 H new ATOM 0 HG LEU A 80 19.648 17.882 -9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.831 15.707 -9.548 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.082 15.541 -9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.230 15.311 -11.176 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.067 17.566 -10.325 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.555 17.379 -12.019 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.301 18.927 -11.178 1.00 0.00 H new ATOM 943 N LEU A 81 16.589 16.056 -12.980 1.00 0.00 N ATOM 944 CA LEU A 81 15.580 15.003 -13.058 1.00 0.00 C ATOM 945 C LEU A 81 15.811 14.054 -14.253 1.00 0.00 C ATOM 946 O LEU A 81 15.694 12.839 -14.106 1.00 0.00 O ATOM 947 CB LEU A 81 14.183 15.658 -13.047 1.00 0.00 C ATOM 948 CG LEU A 81 12.994 14.680 -13.142 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.047 13.546 -12.116 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.688 15.448 -12.928 1.00 0.00 C ATOM 0 H LEU A 81 16.207 17.001 -13.006 1.00 0.00 H new ATOM 0 HA LEU A 81 15.659 14.354 -12.186 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.080 16.240 -12.131 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.122 16.359 -13.879 1.00 0.00 H new ATOM 0 HG LEU A 81 13.049 14.231 -14.134 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.179 12.899 -12.244 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.957 12.965 -12.263 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.042 13.965 -11.110 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.846 14.759 -12.995 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.698 15.915 -11.943 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.589 16.218 -13.694 1.00 0.00 H new ATOM 962 N GLY A 82 16.227 14.579 -15.409 1.00 0.00 N ATOM 963 CA GLY A 82 16.600 13.766 -16.574 1.00 0.00 C ATOM 964 C GLY A 82 17.856 12.916 -16.341 1.00 0.00 C ATOM 965 O GLY A 82 17.902 11.756 -16.752 1.00 0.00 O ATOM 0 H GLY A 82 16.315 15.583 -15.565 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.768 13.110 -16.833 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.766 14.422 -17.428 1.00 0.00 H new ATOM 969 N GLU A 83 18.849 13.444 -15.619 1.00 0.00 N ATOM 970 CA GLU A 83 20.072 12.719 -15.250 1.00 0.00 C ATOM 971 C GLU A 83 19.772 11.560 -14.280 1.00 0.00 C ATOM 972 O GLU A 83 20.313 10.464 -14.442 1.00 0.00 O ATOM 973 CB GLU A 83 21.147 13.712 -14.749 1.00 0.00 C ATOM 974 CG GLU A 83 21.676 13.475 -13.326 1.00 0.00 C ATOM 975 CD GLU A 83 22.850 14.405 -12.945 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.040 15.485 -13.557 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.616 14.047 -12.015 1.00 0.00 O ATOM 0 H GLU A 83 18.827 14.402 -15.268 1.00 0.00 H new ATOM 0 HA GLU A 83 20.490 12.237 -16.134 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.991 13.681 -15.438 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.733 14.719 -14.798 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.862 13.619 -12.615 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.999 12.438 -13.234 1.00 0.00 H new ATOM 984 N LEU A 84 18.860 11.770 -13.322 1.00 0.00 N ATOM 985 CA LEU A 84 18.355 10.732 -12.427 1.00 0.00 C ATOM 986 C LEU A 84 17.594 9.632 -13.190 1.00 0.00 C ATOM 987 O LEU A 84 17.810 8.442 -12.955 1.00 0.00 O ATOM 988 CB LEU A 84 17.459 11.418 -11.380 1.00 0.00 C ATOM 989 CG LEU A 84 16.739 10.436 -10.446 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.719 9.724 -9.517 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.721 11.194 -9.610 1.00 0.00 C ATOM 0 H LEU A 84 18.447 12.686 -13.148 1.00 0.00 H new ATOM 0 HA LEU A 84 19.189 10.228 -11.938 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.068 12.095 -10.781 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.716 12.028 -11.894 1.00 0.00 H new ATOM 0 HG LEU A 84 16.245 9.684 -11.061 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.173 9.037 -8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.443 9.166 -10.111 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.241 10.460 -8.906 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.207 10.500 -8.945 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.230 11.954 -9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.994 11.672 -10.267 1.00 0.00 H new ATOM 1003 N LEU A 85 16.712 10.038 -14.107 1.00 0.00 N ATOM 1004 CA LEU A 85 15.916 9.145 -14.957 1.00 0.00 C ATOM 1005 C LEU A 85 16.779 8.336 -15.946 1.00 0.00 C ATOM 1006 O LEU A 85 16.423 7.207 -16.285 1.00 0.00 O ATOM 1007 CB LEU A 85 14.874 10.005 -15.705 1.00 0.00 C ATOM 1008 CG LEU A 85 13.612 10.270 -14.878 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.866 11.465 -15.453 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.661 9.067 -14.884 1.00 0.00 C ATOM 0 H LEU A 85 16.526 11.025 -14.285 1.00 0.00 H new ATOM 0 HA LEU A 85 15.423 8.406 -14.326 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.327 10.957 -15.981 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.596 9.504 -16.632 1.00 0.00 H new ATOM 0 HG LEU A 85 13.931 10.461 -13.853 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.969 11.652 -14.863 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.509 12.344 -15.423 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.585 11.256 -16.485 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.779 9.297 -14.286 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.358 8.848 -15.908 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.169 8.200 -14.462 1.00 0.00 H new ATOM 1022 N GLY A 86 17.893 8.905 -16.425 1.00 0.00 N ATOM 1023 CA GLY A 86 18.727 8.329 -17.493 1.00 0.00 C ATOM 1024 C GLY A 86 18.089 8.419 -18.891 1.00 0.00 C ATOM 1025 O GLY A 86 18.525 7.737 -19.823 1.00 0.00 O ATOM 0 H GLY A 86 18.248 9.795 -16.076 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.688 8.842 -17.508 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.928 7.283 -17.261 1.00 0.00 H new ATOM 1029 N ARG A 87 17.032 9.232 -19.022 1.00 0.00 N ATOM 1030 CA ARG A 87 16.180 9.424 -20.209 1.00 0.00 C ATOM 1031 C ARG A 87 15.594 10.833 -20.217 1.00 0.00 C ATOM 1032 O ARG A 87 15.267 11.398 -19.175 1.00 0.00 O ATOM 1033 CB ARG A 87 15.100 8.321 -20.292 1.00 0.00 C ATOM 1034 CG ARG A 87 14.201 8.261 -19.049 1.00 0.00 C ATOM 1035 CD ARG A 87 13.268 7.054 -18.991 1.00 0.00 C ATOM 1036 NE ARG A 87 12.285 7.077 -20.088 1.00 0.00 N ATOM 1037 CZ ARG A 87 11.805 6.074 -20.798 1.00 0.00 C ATOM 1038 NH1 ARG A 87 12.146 4.835 -20.589 1.00 0.00 N ATOM 1039 NH2 ARG A 87 10.953 6.325 -21.748 1.00 0.00 N ATOM 0 H ARG A 87 16.725 9.817 -18.245 1.00 0.00 H new ATOM 0 HA ARG A 87 16.788 9.328 -21.109 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.481 8.493 -21.172 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.586 7.355 -20.428 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.833 8.257 -18.161 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.600 9.169 -19.008 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.854 6.137 -19.046 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.746 7.042 -18.034 1.00 0.00 H new ATOM 0 HE ARG A 87 11.924 7.999 -20.333 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.811 4.607 -19.850 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.748 4.093 -21.164 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.666 7.286 -21.935 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.572 5.561 -22.306 1.00 0.00 H new ATOM 1053 N GLN A 88 15.447 11.379 -21.418 1.00 0.00 N ATOM 1054 CA GLN A 88 14.935 12.731 -21.671 1.00 0.00 C ATOM 1055 C GLN A 88 13.406 12.847 -21.617 1.00 0.00 C ATOM 1056 O GLN A 88 12.896 13.963 -21.609 1.00 0.00 O ATOM 1057 CB GLN A 88 15.493 13.266 -23.005 1.00 0.00 C ATOM 1058 CG GLN A 88 15.583 12.300 -24.204 1.00 0.00 C ATOM 1059 CD GLN A 88 14.290 11.533 -24.457 1.00 0.00 C ATOM 1060 OE1 GLN A 88 13.260 12.174 -24.961 1.00 0.00 O flip ATOM 1061 NE2 GLN A 88 14.174 10.357 -24.140 1.00 0.00 N flip ATOM 0 H GLN A 88 15.687 10.881 -22.275 1.00 0.00 H new ATOM 0 HA GLN A 88 15.292 13.353 -20.850 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.876 14.113 -23.307 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.494 13.653 -22.815 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.843 12.865 -25.099 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.391 11.589 -24.030 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.970 9.854 -23.748 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.281 9.880 -24.268 1.00 0.00 H new ATOM 1070 N SER A 89 12.668 11.739 -21.578 1.00 0.00 N ATOM 1071 CA SER A 89 11.195 11.776 -21.457 1.00 0.00 C ATOM 1072 C SER A 89 10.534 10.519 -20.893 1.00 0.00 C ATOM 1073 O SER A 89 11.057 9.408 -20.977 1.00 0.00 O ATOM 1074 CB SER A 89 10.526 12.119 -22.803 1.00 0.00 C ATOM 1075 OG SER A 89 10.765 11.127 -23.796 1.00 0.00 O ATOM 0 H SER A 89 13.059 10.798 -21.628 1.00 0.00 H new ATOM 0 HA SER A 89 11.032 12.562 -20.720 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.452 12.229 -22.654 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.899 13.080 -23.156 1.00 0.00 H new ATOM 0 HG SER A 89 11.586 11.344 -24.284 1.00 0.00 H new ATOM 1081 N PHE A 90 9.351 10.726 -20.315 1.00 0.00 N ATOM 1082 CA PHE A 90 8.403 9.737 -19.789 1.00 0.00 C ATOM 1083 C PHE A 90 7.008 10.394 -19.742 1.00 0.00 C ATOM 1084 O PHE A 90 6.883 11.616 -19.863 1.00 0.00 O ATOM 1085 CB PHE A 90 8.832 9.272 -18.388 1.00 0.00 C ATOM 1086 CG PHE A 90 8.798 10.363 -17.338 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.856 11.283 -17.262 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.693 10.491 -16.474 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.828 12.311 -16.307 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.660 11.523 -15.520 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.743 12.418 -15.412 1.00 0.00 C ATOM 0 H PHE A 90 8.998 11.675 -20.191 1.00 0.00 H new ATOM 0 HA PHE A 90 8.380 8.858 -20.433 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.180 8.457 -18.072 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.843 8.868 -18.444 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.693 11.199 -17.940 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.870 9.795 -16.545 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.639 13.022 -16.257 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.804 11.630 -14.870 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.742 13.182 -14.648 1.00 0.00 H new ATOM 1101 N SER A 91 5.952 9.607 -19.540 1.00 0.00 N ATOM 1102 CA SER A 91 4.576 10.113 -19.491 1.00 0.00 C ATOM 1103 C SER A 91 3.862 9.705 -18.208 1.00 0.00 C ATOM 1104 O SER A 91 4.107 8.641 -17.646 1.00 0.00 O ATOM 1105 CB SER A 91 3.809 9.619 -20.721 1.00 0.00 C ATOM 1106 OG SER A 91 2.476 10.104 -20.695 1.00 0.00 O ATOM 0 H SER A 91 6.024 8.599 -19.405 1.00 0.00 H new ATOM 0 HA SER A 91 4.613 11.202 -19.497 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.308 9.956 -21.629 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.807 8.529 -20.744 1.00 0.00 H new ATOM 0 HG SER A 91 1.996 9.783 -21.487 1.00 0.00 H new ATOM 1112 N VAL A 92 2.905 10.525 -17.786 1.00 0.00 N ATOM 1113 CA VAL A 92 1.930 10.219 -16.725 1.00 0.00 C ATOM 1114 C VAL A 92 1.099 8.973 -17.107 1.00 0.00 C ATOM 1115 O VAL A 92 0.629 8.250 -16.228 1.00 0.00 O ATOM 1116 CB VAL A 92 1.052 11.470 -16.562 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.281 11.313 -15.835 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.811 12.644 -15.934 1.00 0.00 C ATOM 0 H VAL A 92 2.776 11.456 -18.182 1.00 0.00 H new ATOM 0 HA VAL A 92 2.420 9.983 -15.781 1.00 0.00 H new ATOM 0 HB VAL A 92 0.794 11.671 -17.602 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.790 12.276 -15.796 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.904 10.595 -16.368 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.102 10.956 -14.821 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.144 13.501 -15.842 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.172 12.357 -14.946 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.658 12.910 -16.567 1.00 0.00 H new ATOM 1128 N LYS A 93 0.972 8.680 -18.417 1.00 0.00 N ATOM 1129 CA LYS A 93 0.349 7.459 -18.972 1.00 0.00 C ATOM 1130 C LYS A 93 1.277 6.227 -18.979 1.00 0.00 C ATOM 1131 O LYS A 93 0.804 5.106 -19.165 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.140 7.738 -20.408 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.160 8.880 -20.573 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.453 8.656 -19.769 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.640 9.485 -20.292 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.440 10.957 -20.160 1.00 0.00 N ATOM 0 H LYS A 93 1.312 9.309 -19.144 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.483 7.214 -18.312 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.728 7.963 -21.027 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.584 6.824 -20.802 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.701 9.817 -20.258 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.410 8.986 -21.629 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.714 7.598 -19.800 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.273 8.909 -18.724 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.809 9.242 -21.341 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.541 9.198 -19.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.275 11.455 -20.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.307 11.201 -19.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.598 11.243 -20.700 1.00 0.00 H new ATOM 1150 N ASP A 94 2.584 6.422 -18.786 1.00 0.00 N ATOM 1151 CA ASP A 94 3.628 5.383 -18.772 1.00 0.00 C ATOM 1152 C ASP A 94 4.698 5.709 -17.695 1.00 0.00 C ATOM 1153 O ASP A 94 5.842 6.045 -18.025 1.00 0.00 O ATOM 1154 CB ASP A 94 4.213 5.257 -20.191 1.00 0.00 C ATOM 1155 CG ASP A 94 5.254 4.128 -20.313 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.078 3.058 -19.680 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.230 4.286 -21.087 1.00 0.00 O ATOM 0 H ASP A 94 2.966 7.354 -18.627 1.00 0.00 H new ATOM 0 HA ASP A 94 3.210 4.415 -18.496 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.403 5.075 -20.897 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.676 6.203 -20.473 1.00 0.00 H new ATOM 1162 N PRO A 95 4.328 5.660 -16.397 1.00 0.00 N ATOM 1163 CA PRO A 95 5.141 6.164 -15.282 1.00 0.00 C ATOM 1164 C PRO A 95 6.267 5.229 -14.804 1.00 0.00 C ATOM 1165 O PRO A 95 7.044 5.602 -13.923 1.00 0.00 O ATOM 1166 CB PRO A 95 4.107 6.442 -14.190 1.00 0.00 C ATOM 1167 CG PRO A 95 3.105 5.305 -14.376 1.00 0.00 C ATOM 1168 CD PRO A 95 3.027 5.220 -15.898 1.00 0.00 C ATOM 0 HA PRO A 95 5.710 7.042 -15.585 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.555 6.428 -13.196 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.639 7.418 -14.315 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.453 4.373 -13.930 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.138 5.532 -13.927 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.810 4.202 -16.221 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.228 5.853 -16.283 1.00 0.00 H new ATOM 1176 N SER A 96 6.388 4.031 -15.385 1.00 0.00 N ATOM 1177 CA SER A 96 7.319 2.964 -14.983 1.00 0.00 C ATOM 1178 C SER A 96 8.774 3.383 -14.690 1.00 0.00 C ATOM 1179 O SER A 96 9.298 2.914 -13.674 1.00 0.00 O ATOM 1180 CB SER A 96 7.317 1.857 -16.046 1.00 0.00 C ATOM 1181 OG SER A 96 5.996 1.364 -16.235 1.00 0.00 O ATOM 0 H SER A 96 5.815 3.764 -16.185 1.00 0.00 H new ATOM 0 HA SER A 96 6.935 2.623 -14.022 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.707 2.245 -16.987 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.976 1.045 -15.738 1.00 0.00 H new ATOM 0 HG SER A 96 6.004 0.659 -16.916 1.00 0.00 H new ATOM 1187 N PRO A 97 9.460 4.250 -15.476 1.00 0.00 N ATOM 1188 CA PRO A 97 10.868 4.553 -15.202 1.00 0.00 C ATOM 1189 C PRO A 97 11.093 5.363 -13.916 1.00 0.00 C ATOM 1190 O PRO A 97 12.176 5.274 -13.339 1.00 0.00 O ATOM 1191 CB PRO A 97 11.385 5.292 -16.437 1.00 0.00 C ATOM 1192 CG PRO A 97 10.134 5.952 -17.007 1.00 0.00 C ATOM 1193 CD PRO A 97 9.049 4.919 -16.715 1.00 0.00 C ATOM 0 HA PRO A 97 11.416 3.628 -15.021 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.144 6.029 -16.175 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.839 4.608 -17.153 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.924 6.907 -16.525 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.230 6.148 -18.075 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.076 5.396 -16.598 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.958 4.205 -17.534 1.00 0.00 H new ATOM 1201 N LEU A 98 10.094 6.106 -13.417 1.00 0.00 N ATOM 1202 CA LEU A 98 10.229 6.888 -12.179 1.00 0.00 C ATOM 1203 C LEU A 98 10.426 5.947 -10.978 1.00 0.00 C ATOM 1204 O LEU A 98 11.381 6.053 -10.209 1.00 0.00 O ATOM 1205 CB LEU A 98 9.041 7.887 -12.070 1.00 0.00 C ATOM 1206 CG LEU A 98 7.804 7.519 -11.217 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.010 7.783 -9.720 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.605 8.361 -11.651 1.00 0.00 C ATOM 0 H LEU A 98 9.177 6.182 -13.856 1.00 0.00 H new ATOM 0 HA LEU A 98 11.126 7.507 -12.190 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.438 8.824 -11.679 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.690 8.087 -13.082 1.00 0.00 H new ATOM 0 HG LEU A 98 7.638 6.453 -11.373 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.108 7.505 -9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.850 7.190 -9.358 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.218 8.841 -9.562 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.737 8.097 -11.047 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.834 9.418 -11.515 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.387 8.169 -12.702 1.00 0.00 H new ATOM 1220 N TYR A 99 9.579 4.928 -10.861 1.00 0.00 N ATOM 1221 CA TYR A 99 9.656 3.993 -9.747 1.00 0.00 C ATOM 1222 C TYR A 99 10.992 3.240 -9.748 1.00 0.00 C ATOM 1223 O TYR A 99 11.571 3.018 -8.692 1.00 0.00 O ATOM 1224 CB TYR A 99 8.457 3.044 -9.826 1.00 0.00 C ATOM 1225 CG TYR A 99 7.117 3.757 -9.832 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.587 4.288 -8.639 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.413 3.912 -11.042 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.333 4.931 -8.647 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.159 4.543 -11.048 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.602 5.035 -9.849 1.00 0.00 C ATOM 1231 OH TYR A 99 3.360 5.594 -9.846 1.00 0.00 O ATOM 0 H TYR A 99 8.831 4.730 -11.526 1.00 0.00 H new ATOM 0 HA TYR A 99 9.615 4.535 -8.802 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.542 2.440 -10.729 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.491 2.358 -8.979 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.143 4.202 -7.717 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.838 3.546 -11.965 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.932 5.344 -7.733 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.618 4.652 -11.976 1.00 0.00 H new ATOM 0 HH TYR A 99 2.997 5.588 -10.756 1.00 0.00 H new ATOM 1241 N ASP A 100 11.554 2.964 -10.926 1.00 0.00 N ATOM 1242 CA ASP A 100 12.861 2.318 -11.091 1.00 0.00 C ATOM 1243 C ASP A 100 14.025 3.246 -10.730 1.00 0.00 C ATOM 1244 O ASP A 100 14.993 2.826 -10.099 1.00 0.00 O ATOM 1245 CB ASP A 100 12.988 1.836 -12.527 1.00 0.00 C ATOM 1246 CG ASP A 100 14.049 0.734 -12.659 1.00 0.00 C ATOM 1247 OD1 ASP A 100 13.805 -0.388 -12.152 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.114 0.981 -13.274 1.00 0.00 O ATOM 0 H ASP A 100 11.104 3.188 -11.814 1.00 0.00 H new ATOM 0 HA ASP A 100 12.916 1.476 -10.402 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.025 1.459 -12.872 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.251 2.675 -13.172 1.00 0.00 H new ATOM 1253 N MET A 101 13.893 4.535 -11.047 1.00 0.00 N ATOM 1254 CA MET A 101 14.818 5.574 -10.576 1.00 0.00 C ATOM 1255 C MET A 101 14.774 5.714 -9.042 1.00 0.00 C ATOM 1256 O MET A 101 15.781 6.079 -8.443 1.00 0.00 O ATOM 1257 CB MET A 101 14.607 6.909 -11.323 1.00 0.00 C ATOM 1258 CG MET A 101 13.886 7.962 -10.480 1.00 0.00 C ATOM 1259 SD MET A 101 13.169 9.334 -11.395 1.00 0.00 S ATOM 1260 CE MET A 101 11.857 9.743 -10.222 1.00 0.00 C ATOM 0 H MET A 101 13.142 4.891 -11.638 1.00 0.00 H new ATOM 0 HA MET A 101 15.832 5.258 -10.820 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.575 7.302 -11.633 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.033 6.724 -12.231 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.093 7.470 -9.918 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.591 8.363 -9.752 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.004 10.158 -10.760 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.548 8.842 -9.692 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.226 10.477 -9.505 1.00 0.00 H new ATOM 1270 N LEU A 102 13.634 5.425 -8.393 1.00 0.00 N ATOM 1271 CA LEU A 102 13.532 5.377 -6.937 1.00 0.00 C ATOM 1272 C LEU A 102 14.163 4.079 -6.430 1.00 0.00 C ATOM 1273 O LEU A 102 14.992 4.164 -5.538 1.00 0.00 O ATOM 1274 CB LEU A 102 12.078 5.545 -6.437 1.00 0.00 C ATOM 1275 CG LEU A 102 11.346 6.843 -6.835 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.984 6.913 -6.150 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.122 8.114 -6.500 1.00 0.00 C ATOM 0 H LEU A 102 12.757 5.218 -8.872 1.00 0.00 H new ATOM 0 HA LEU A 102 14.081 6.225 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.494 4.701 -6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.084 5.480 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 102 11.240 6.800 -7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.478 7.834 -6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.380 6.057 -6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.119 6.898 -5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.544 8.985 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.300 8.159 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.077 8.107 -7.026 1.00 0.00 H new ATOM 1289 N ARG A 103 13.889 2.913 -7.038 1.00 0.00 N ATOM 1290 CA ARG A 103 14.310 1.579 -6.546 1.00 0.00 C ATOM 1291 C ARG A 103 15.762 1.504 -6.040 1.00 0.00 C ATOM 1292 O ARG A 103 16.034 0.890 -5.009 1.00 0.00 O ATOM 1293 CB ARG A 103 14.139 0.513 -7.652 1.00 0.00 C ATOM 1294 CG ARG A 103 12.718 -0.033 -7.849 1.00 0.00 C ATOM 1295 CD ARG A 103 12.732 -1.211 -8.830 1.00 0.00 C ATOM 1296 NE ARG A 103 11.362 -1.678 -9.122 1.00 0.00 N ATOM 1297 CZ ARG A 103 10.792 -1.851 -10.304 1.00 0.00 C ATOM 1298 NH1 ARG A 103 11.386 -1.590 -11.435 1.00 0.00 N ATOM 1299 NH2 ARG A 103 9.572 -2.305 -10.371 1.00 0.00 N ATOM 0 H ARG A 103 13.356 2.864 -7.906 1.00 0.00 H new ATOM 0 HA ARG A 103 13.659 1.388 -5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.476 0.941 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.800 -0.324 -7.427 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.308 -0.353 -6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.067 0.756 -8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.222 -0.911 -9.756 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.317 -2.030 -8.411 1.00 0.00 H new ATOM 0 HE ARG A 103 10.782 -1.894 -8.311 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.341 -1.232 -11.439 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.895 -1.744 -12.316 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.062 -2.525 -9.515 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.127 -2.440 -11.279 1.00 0.00 H new ATOM 1313 N LYS A 104 16.681 2.136 -6.782 1.00 0.00 N ATOM 1314 CA LYS A 104 18.138 2.160 -6.567 1.00 0.00 C ATOM 1315 C LYS A 104 18.715 3.461 -5.974 1.00 0.00 C ATOM 1316 O LYS A 104 19.911 3.528 -5.703 1.00 0.00 O ATOM 1317 CB LYS A 104 18.839 1.697 -7.865 1.00 0.00 C ATOM 1318 CG LYS A 104 18.243 2.145 -9.215 1.00 0.00 C ATOM 1319 CD LYS A 104 17.975 3.652 -9.368 1.00 0.00 C ATOM 1320 CE LYS A 104 19.195 4.570 -9.175 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.238 4.367 -10.227 1.00 0.00 N ATOM 0 H LYS A 104 16.412 2.680 -7.602 1.00 0.00 H new ATOM 0 HA LYS A 104 18.354 1.455 -5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.872 2.042 -7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.866 0.607 -7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.921 1.834 -10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.305 1.612 -9.370 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.563 3.830 -10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.209 3.941 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.869 5.610 -9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.633 4.385 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 21.038 5.008 -10.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.572 3.382 -10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.831 4.569 -11.163 1.00 0.00 H new ATOM 1335 N ASN A 105 17.895 4.502 -5.791 1.00 0.00 N ATOM 1336 CA ASN A 105 18.292 5.804 -5.204 1.00 0.00 C ATOM 1337 C ASN A 105 17.635 6.063 -3.838 1.00 0.00 C ATOM 1338 O ASN A 105 18.137 6.840 -3.028 1.00 0.00 O ATOM 1339 CB ASN A 105 17.895 6.918 -6.184 1.00 0.00 C ATOM 1340 CG ASN A 105 18.896 8.049 -6.167 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.618 9.168 -5.775 1.00 0.00 O ATOM 1342 ND2 ASN A 105 20.114 7.761 -6.562 1.00 0.00 N ATOM 0 H ASN A 105 16.909 4.470 -6.051 1.00 0.00 H new ATOM 0 HA ASN A 105 19.369 5.787 -5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.822 6.509 -7.192 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.908 7.300 -5.923 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.839 8.478 -6.543 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.335 6.820 -6.888 1.00 0.00 H new ATOM 1349 N LEU A 106 16.478 5.439 -3.623 1.00 0.00 N ATOM 1350 CA LEU A 106 15.640 5.532 -2.430 1.00 0.00 C ATOM 1351 C LEU A 106 15.159 4.136 -1.992 1.00 0.00 C ATOM 1352 O LEU A 106 14.439 3.444 -2.709 1.00 0.00 O ATOM 1353 CB LEU A 106 14.491 6.488 -2.783 1.00 0.00 C ATOM 1354 CG LEU A 106 13.290 6.502 -1.833 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.657 6.945 -0.414 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.240 7.473 -2.351 1.00 0.00 C ATOM 0 H LEU A 106 16.076 4.815 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 106 16.188 5.923 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.894 7.499 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.132 6.235 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 106 12.918 5.478 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.765 6.935 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.399 6.262 -0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.069 7.954 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.386 7.481 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.667 8.474 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.913 7.160 -3.343 1.00 0.00 H new ATOM 1368 N VAL A 107 15.526 3.754 -0.768 1.00 0.00 N ATOM 1369 CA VAL A 107 15.251 2.404 -0.212 1.00 0.00 C ATOM 1370 C VAL A 107 13.820 2.217 0.323 1.00 0.00 C ATOM 1371 O VAL A 107 13.335 1.094 0.425 1.00 0.00 O ATOM 1372 CB VAL A 107 16.354 1.993 0.786 1.00 0.00 C ATOM 1373 CG1 VAL A 107 16.263 2.756 2.110 1.00 0.00 C ATOM 1374 CG2 VAL A 107 16.374 0.489 1.076 1.00 0.00 C ATOM 0 H VAL A 107 16.025 4.366 -0.122 1.00 0.00 H new ATOM 0 HA VAL A 107 15.291 1.703 -1.046 1.00 0.00 H new ATOM 0 HB VAL A 107 17.286 2.259 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 107 17.062 2.428 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 107 16.364 3.825 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 107 15.298 2.559 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 107 17.172 0.266 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 107 15.417 0.188 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 107 16.548 -0.058 0.149 1.00 0.00 H new ATOM 1384 N THR A 108 13.139 3.339 0.578 1.00 0.00 N ATOM 1385 CA THR A 108 11.744 3.505 1.052 1.00 0.00 C ATOM 1386 C THR A 108 11.375 2.653 2.290 1.00 0.00 C ATOM 1387 O THR A 108 12.247 2.107 2.970 1.00 0.00 O ATOM 1388 CB THR A 108 10.755 3.432 -0.133 1.00 0.00 C ATOM 1389 OG1 THR A 108 9.496 3.938 0.259 1.00 0.00 O ATOM 1390 CG2 THR A 108 10.530 2.053 -0.750 1.00 0.00 C ATOM 0 H THR A 108 13.586 4.247 0.448 1.00 0.00 H new ATOM 0 HA THR A 108 11.655 4.512 1.459 1.00 0.00 H new ATOM 0 HB THR A 108 11.236 4.032 -0.906 1.00 0.00 H new ATOM 0 HG1 THR A 108 8.874 3.890 -0.497 1.00 0.00 H new ATOM 0 HG21 THR A 108 9.817 2.133 -1.570 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.476 1.665 -1.128 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.136 1.375 0.008 1.00 0.00 H new ATOM 1398 N LEU A 109 10.084 2.590 2.643 1.00 0.00 N ATOM 1399 CA LEU A 109 9.557 1.767 3.743 1.00 0.00 C ATOM 1400 C LEU A 109 9.815 0.269 3.493 1.00 0.00 C ATOM 1401 O LEU A 109 10.356 -0.426 4.356 1.00 0.00 O ATOM 1402 CB LEU A 109 8.064 2.063 3.904 1.00 0.00 C ATOM 1403 CG LEU A 109 7.411 1.334 5.095 1.00 0.00 C ATOM 1404 CD1 LEU A 109 8.129 1.542 6.433 1.00 0.00 C ATOM 1405 CD2 LEU A 109 6.003 1.889 5.248 1.00 0.00 C ATOM 0 H LEU A 109 9.359 3.122 2.161 1.00 0.00 H new ATOM 0 HA LEU A 109 10.074 2.020 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.927 3.137 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.546 1.779 2.988 1.00 0.00 H new ATOM 0 HG LEU A 109 7.448 0.267 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.604 0.995 7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.153 1.175 6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.142 2.604 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.506 1.396 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.053 2.961 5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.439 1.708 4.333 1.00 0.00 H new ATOM 1417 N ALA A 110 9.481 -0.178 2.275 1.00 0.00 N ATOM 1418 CA ALA A 110 9.751 -1.502 1.711 1.00 0.00 C ATOM 1419 C ALA A 110 9.178 -2.696 2.518 1.00 0.00 C ATOM 1420 O ALA A 110 8.434 -2.528 3.490 1.00 0.00 O ATOM 1421 CB ALA A 110 11.256 -1.582 1.400 1.00 0.00 C ATOM 0 H ALA A 110 8.981 0.418 1.615 1.00 0.00 H new ATOM 0 HA ALA A 110 9.191 -1.611 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.489 -2.559 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 110 11.521 -0.804 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 110 11.825 -1.439 2.318 1.00 0.00 H new ATOM 1427 N THR A 111 9.463 -3.921 2.059 1.00 0.00 N ATOM 1428 CA THR A 111 8.915 -5.180 2.599 1.00 0.00 C ATOM 1429 C THR A 111 9.911 -6.344 2.574 1.00 0.00 C ATOM 1430 O THR A 111 10.902 -6.333 1.826 1.00 0.00 O ATOM 1431 CB THR A 111 7.627 -5.543 1.846 1.00 0.00 C ATOM 1432 OG1 THR A 111 6.974 -6.605 2.514 1.00 0.00 O ATOM 1433 CG2 THR A 111 7.831 -5.952 0.382 1.00 0.00 C ATOM 0 H THR A 111 10.101 -4.072 1.277 1.00 0.00 H new ATOM 0 HA THR A 111 8.695 -5.008 3.652 1.00 0.00 H new ATOM 0 HB THR A 111 7.031 -4.630 1.837 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.151 -6.836 2.035 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.867 -6.190 -0.067 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.293 -5.130 -0.165 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.479 -6.827 0.336 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48M A 200 -0.235 13.204 -12.151 1.00 0.00 N HETATM 1443 CG1 48M A 200 2.945 13.837 -10.996 1.00 0.00 C HETATM 1444 CG2 48M A 200 1.219 11.416 -11.210 1.00 0.00 C HETATM 1445 CG3 48M A 200 -0.454 15.019 -13.720 1.00 0.00 C HETATM 1446 CD1 48M A 200 3.500 14.249 -12.216 1.00 0.00 C HETATM 1447 CD2 48M A 200 3.740 13.116 -10.099 1.00 0.00 C HETATM 1448 CD3 48M A 200 0.820 10.299 -10.472 1.00 0.00 C HETATM 1449 CD4 48M A 200 2.181 11.236 -12.204 1.00 0.00 C HETATM 1450 CD5 48M A 200 -1.520 14.383 -14.373 1.00 0.00 C HETATM 1451 CD6 48M A 200 0.116 16.154 -14.328 1.00 0.00 C HETATM 1452 CE1 48M A 200 4.791 13.861 -12.569 1.00 0.00 C HETATM 1453 CE2 48M A 200 5.028 12.727 -10.456 1.00 0.00 C HETATM 1454 CE3 48M A 200 1.409 9.052 -10.691 1.00 0.00 C HETATM 1455 CE4 48M A 200 2.812 10.015 -12.392 1.00 0.00 C HETATM 1456 CE5 48M A 200 -2.078 14.911 -15.531 1.00 0.00 C HETATM 1457 CE6 48M A 200 -0.458 16.686 -15.488 1.00 0.00 C HETATM 1458 CZ1 48M A 200 5.545 13.082 -11.696 1.00 0.00 C HETATM 1459 CZ2 48M A 200 2.423 8.912 -11.640 1.00 0.00 C HETATM 1460 CZ3 48M A 200 -1.567 16.081 -16.076 1.00 0.00 C HETATM 1461 CL2 48M A 200 7.106 12.509 -12.163 1.00 0.00 CL HETATM 1462 CL1 48M A 200 4.098 9.920 -13.544 1.00 0.00 CL HETATM 1463 CM1 48M A 200 -2.203 16.657 -17.234 1.00 0.00 C HETATM 1464 CM2 48M A 200 2.949 16.478 -15.594 1.00 0.00 C HETATM 1465 CM3 48M A 200 3.293 17.999 -13.598 1.00 0.00 C HETATM 1466 NM1 48M A 200 -2.735 17.099 -18.144 1.00 0.00 N HETATM 1467 C1 48M A 200 -1.073 19.566 -11.783 1.00 0.00 C HETATM 1468 N1 48M A 200 -2.164 18.992 -12.315 1.00 0.00 N HETATM 1469 O1 48M A 200 -0.963 20.775 -11.862 1.00 0.00 O HETATM 1470 C2 48M A 200 -2.465 17.554 -12.257 1.00 0.00 C HETATM 1471 N2 48M A 200 -0.195 17.203 -11.258 1.00 0.00 N HETATM 1472 C3 48M A 200 -1.619 16.807 -11.206 1.00 0.00 C HETATM 1473 N3 48M A 200 0.808 15.094 -11.464 1.00 0.00 N HETATM 1474 C4 48M A 200 -0.019 18.676 -11.126 1.00 0.00 C HETATM 1475 C5 48M A 200 0.854 16.370 -11.021 1.00 0.00 C HETATM 1476 O5 48M A 200 1.814 16.778 -10.395 1.00 0.00 O HETATM 1477 C6 48M A 200 -0.016 14.434 -12.412 1.00 0.00 C HETATM 1478 O6 48M A 200 1.277 16.709 -13.819 1.00 0.00 O HETATM 1479 C7 48M A 200 0.553 12.779 -10.972 1.00 0.00 C HETATM 1480 C8 48M A 200 1.458 14.029 -10.680 1.00 0.00 C HETATM 1481 C9 48M A 200 2.268 17.432 -14.592 1.00 0.00 C