USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1071 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 CYS SG : rot 170:sc= 0 USER MOD Set 1.2: A 54 TYR OH : rot 52:sc= 0.00681 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0387 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0802 X(o=-0.08,f=0) USER MOD Single : A 11 GLN : amide:sc= 0.894 K(o=0.89,f=-0.01) USER MOD Single : A 12 ASN : amide:sc= 0.365 X(o=0.36,f=-0.031) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.378 X(o=0.38,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.154 K(o=0.15,f=-1.6) USER MOD Single : A 38 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.7) USER MOD Single : A 39 CYS SG : rot 33:sc= -0.0564 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.418 USER MOD Single : A 45 ASN : amide:sc= 0.239 K(o=0.24,f=-3.6!) USER MOD Single : A 49 CYS SG : rot 13:sc= 1.3 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -170:sc= 0 (180deg=-0.0689) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 CYS SG : rot 110:sc= -3.24! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.674 K(o=0.67,f=-2.4!) USER MOD Single : A 74 THR OG1 : rot -88:sc= 1.31 USER MOD Single : A 75 GLN : amide:sc= 0.132 X(o=0.13,f=-0.28) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.0927 X(o=-0.093,f=-0.093) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 144:sc= 1.21 (180deg=-0.18) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot -162:sc= -0.0792 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 1.13 K(o=1.1,f=-3.2!) USER MOD Single : A 124 MET CE :methyl -178:sc= -0.135 (180deg=-0.15) USER MOD Single : A 128 ASN : amide:sc= 1.06 K(o=1.1,f=-0.43) USER MOD Single : A 133 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.120 2.247 13.681 1.00 0.00 N ATOM 2 CA MET A 1 17.404 2.661 13.033 1.00 0.00 C ATOM 3 C MET A 1 17.596 1.943 11.681 1.00 0.00 C ATOM 4 O MET A 1 17.132 0.806 11.540 1.00 0.00 O ATOM 5 CB MET A 1 18.629 2.413 13.950 1.00 0.00 C ATOM 6 CG MET A 1 18.684 3.358 15.161 1.00 0.00 C ATOM 7 SD MET A 1 20.166 3.154 16.188 1.00 0.00 S ATOM 8 CE MET A 1 19.839 4.419 17.447 1.00 0.00 C ATOM 0 H1 MET A 1 15.427 3.018 13.602 1.00 0.00 H new ATOM 0 H2 MET A 1 15.749 1.399 13.207 1.00 0.00 H new ATOM 0 H3 MET A 1 16.290 2.036 14.685 1.00 0.00 H new ATOM 0 HA MET A 1 17.336 3.735 12.857 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.607 1.382 14.303 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.541 2.530 13.365 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.638 4.388 14.808 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.801 3.193 15.778 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.656 4.434 18.168 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.759 5.395 16.969 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.906 4.188 17.961 1.00 0.00 H new ATOM 18 N PRO A 2 18.264 2.575 10.687 1.00 0.00 N ATOM 19 CA PRO A 2 18.510 1.984 9.367 1.00 0.00 C ATOM 20 C PRO A 2 19.569 0.868 9.419 1.00 0.00 C ATOM 21 O PRO A 2 20.365 0.796 10.357 1.00 0.00 O ATOM 22 CB PRO A 2 18.959 3.149 8.476 1.00 0.00 C ATOM 23 CG PRO A 2 19.649 4.091 9.461 1.00 0.00 C ATOM 24 CD PRO A 2 18.807 3.933 10.728 1.00 0.00 C ATOM 0 HA PRO A 2 17.613 1.502 8.978 1.00 0.00 H new ATOM 0 HB2 PRO A 2 19.639 2.818 7.691 1.00 0.00 H new ATOM 0 HB3 PRO A 2 18.113 3.629 7.984 1.00 0.00 H new ATOM 0 HG2 PRO A 2 20.689 3.810 9.629 1.00 0.00 H new ATOM 0 HG3 PRO A 2 19.651 5.120 9.102 1.00 0.00 H new ATOM 0 HD2 PRO A 2 19.414 4.083 11.621 1.00 0.00 H new ATOM 0 HD3 PRO A 2 18.006 4.672 10.759 1.00 0.00 H new ATOM 32 N VAL A 3 19.591 0.011 8.392 1.00 0.00 N ATOM 33 CA VAL A 3 20.558 -1.099 8.266 1.00 0.00 C ATOM 34 C VAL A 3 21.868 -0.578 7.659 1.00 0.00 C ATOM 35 O VAL A 3 21.865 0.001 6.570 1.00 0.00 O ATOM 36 CB VAL A 3 19.991 -2.271 7.424 1.00 0.00 C ATOM 37 CG1 VAL A 3 21.003 -3.422 7.283 1.00 0.00 C ATOM 38 CG2 VAL A 3 18.700 -2.834 8.048 1.00 0.00 C ATOM 0 H VAL A 3 18.934 0.064 7.614 1.00 0.00 H new ATOM 0 HA VAL A 3 20.753 -1.491 9.264 1.00 0.00 H new ATOM 0 HB VAL A 3 19.778 -1.859 6.438 1.00 0.00 H new ATOM 0 HG11 VAL A 3 20.564 -4.221 6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 3 21.905 -3.056 6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 3 21.258 -3.805 8.271 1.00 0.00 H new ATOM 0 HG21 VAL A 3 18.327 -3.654 7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 3 18.911 -3.199 9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 3 17.947 -2.047 8.098 1.00 0.00 H new ATOM 48 N ARG A 4 22.993 -0.814 8.347 1.00 0.00 N ATOM 49 CA ARG A 4 24.335 -0.398 7.909 1.00 0.00 C ATOM 50 C ARG A 4 24.763 -1.156 6.640 1.00 0.00 C ATOM 51 O ARG A 4 24.960 -2.373 6.673 1.00 0.00 O ATOM 52 CB ARG A 4 25.327 -0.589 9.073 1.00 0.00 C ATOM 53 CG ARG A 4 26.734 -0.059 8.755 1.00 0.00 C ATOM 54 CD ARG A 4 27.657 -0.203 9.971 1.00 0.00 C ATOM 55 NE ARG A 4 29.012 0.302 9.673 1.00 0.00 N ATOM 56 CZ ARG A 4 30.153 -0.382 9.670 1.00 0.00 C ATOM 57 NH1 ARG A 4 30.207 -1.673 9.930 1.00 0.00 N ATOM 58 NH2 ARG A 4 31.281 0.238 9.401 1.00 0.00 N ATOM 0 H ARG A 4 22.998 -1.308 9.239 1.00 0.00 H new ATOM 0 HA ARG A 4 24.323 0.658 7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 4 24.944 -0.079 9.957 1.00 0.00 H new ATOM 0 HB3 ARG A 4 25.391 -1.649 9.319 1.00 0.00 H new ATOM 0 HG2 ARG A 4 27.151 -0.606 7.909 1.00 0.00 H new ATOM 0 HG3 ARG A 4 26.675 0.989 8.459 1.00 0.00 H new ATOM 0 HD2 ARG A 4 27.239 0.345 10.816 1.00 0.00 H new ATOM 0 HD3 ARG A 4 27.713 -1.251 10.267 1.00 0.00 H new ATOM 0 HE ARG A 4 29.082 1.293 9.442 1.00 0.00 H new ATOM 0 HH11 ARG A 4 29.352 -2.186 10.144 1.00 0.00 H new ATOM 0 HH12 ARG A 4 31.104 -2.159 9.917 1.00 0.00 H new ATOM 0 HH21 ARG A 4 31.277 1.237 9.196 1.00 0.00 H new ATOM 0 HH22 ARG A 4 32.159 -0.280 9.397 1.00 0.00 H new ATOM 72 N ARG A 5 24.899 -0.427 5.522 1.00 0.00 N ATOM 73 CA ARG A 5 25.355 -0.889 4.204 1.00 0.00 C ATOM 74 C ARG A 5 24.691 -2.172 3.646 1.00 0.00 C ATOM 75 O ARG A 5 25.303 -2.909 2.870 1.00 0.00 O ATOM 76 CB ARG A 5 26.897 -0.905 4.206 1.00 0.00 C ATOM 77 CG ARG A 5 27.427 -0.280 2.909 1.00 0.00 C ATOM 78 CD ARG A 5 28.927 0.013 2.961 1.00 0.00 C ATOM 79 NE ARG A 5 29.293 0.979 4.018 1.00 0.00 N ATOM 80 CZ ARG A 5 29.179 2.304 3.971 1.00 0.00 C ATOM 81 NH1 ARG A 5 28.694 2.933 2.919 1.00 0.00 N ATOM 82 NH2 ARG A 5 29.562 3.027 5.001 1.00 0.00 N ATOM 0 H ARG A 5 24.678 0.569 5.515 1.00 0.00 H new ATOM 0 HA ARG A 5 24.998 -0.170 3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 5 27.274 -0.353 5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 5 27.259 -1.929 4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 5 27.222 -0.953 2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 5 26.887 0.646 2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 5 29.468 -0.919 3.126 1.00 0.00 H new ATOM 0 HD3 ARG A 5 29.249 0.402 1.995 1.00 0.00 H new ATOM 0 HE ARG A 5 29.675 0.587 4.879 1.00 0.00 H new ATOM 0 HH11 ARG A 5 28.390 2.402 2.103 1.00 0.00 H new ATOM 0 HH12 ARG A 5 28.622 3.950 2.921 1.00 0.00 H new ATOM 0 HH21 ARG A 5 29.944 2.572 5.830 1.00 0.00 H new ATOM 0 HH22 ARG A 5 29.477 4.043 4.971 1.00 0.00 H new ATOM 96 N GLY A 6 23.432 -2.433 4.026 1.00 0.00 N ATOM 97 CA GLY A 6 22.632 -3.580 3.566 1.00 0.00 C ATOM 98 C GLY A 6 21.698 -3.180 2.426 1.00 0.00 C ATOM 99 O GLY A 6 20.805 -2.357 2.624 1.00 0.00 O ATOM 0 H GLY A 6 22.927 -1.836 4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 6 23.295 -4.379 3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 6 22.048 -3.976 4.397 1.00 0.00 H new ATOM 103 N HIS A 7 21.887 -3.775 1.248 1.00 0.00 N ATOM 104 CA HIS A 7 21.125 -3.512 0.018 1.00 0.00 C ATOM 105 C HIS A 7 21.405 -4.580 -1.069 1.00 0.00 C ATOM 106 O HIS A 7 22.376 -5.337 -0.971 1.00 0.00 O ATOM 107 CB HIS A 7 21.425 -2.083 -0.496 1.00 0.00 C ATOM 108 CG HIS A 7 22.889 -1.787 -0.734 1.00 0.00 C ATOM 109 ND1 HIS A 7 23.682 -0.958 0.028 1.00 0.00 N ATOM 110 CD2 HIS A 7 23.670 -2.257 -1.758 1.00 0.00 C ATOM 111 CE1 HIS A 7 24.912 -0.939 -0.516 1.00 0.00 C ATOM 112 NE2 HIS A 7 24.957 -1.719 -1.613 1.00 0.00 N ATOM 0 H HIS A 7 22.606 -4.486 1.115 1.00 0.00 H new ATOM 0 HA HIS A 7 20.063 -3.577 0.253 1.00 0.00 H new ATOM 0 HB2 HIS A 7 20.881 -1.926 -1.428 1.00 0.00 H new ATOM 0 HB3 HIS A 7 21.036 -1.364 0.225 1.00 0.00 H new ATOM 0 HD2 HIS A 7 23.349 -2.927 -2.542 1.00 0.00 H new ATOM 0 HE1 HIS A 7 25.748 -0.376 -0.127 1.00 0.00 H new ATOM 0 HE2 HIS A 7 25.763 -1.885 -2.216 1.00 0.00 H new ATOM 120 N VAL A 8 20.569 -4.625 -2.118 1.00 0.00 N ATOM 121 CA VAL A 8 20.722 -5.484 -3.314 1.00 0.00 C ATOM 122 C VAL A 8 20.347 -4.664 -4.559 1.00 0.00 C ATOM 123 O VAL A 8 19.406 -3.869 -4.513 1.00 0.00 O ATOM 124 CB VAL A 8 19.840 -6.763 -3.230 1.00 0.00 C ATOM 125 CG1 VAL A 8 20.075 -7.712 -4.418 1.00 0.00 C ATOM 126 CG2 VAL A 8 20.085 -7.574 -1.945 1.00 0.00 C ATOM 0 H VAL A 8 19.733 -4.043 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 8 21.759 -5.815 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 8 18.816 -6.388 -3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 8 19.437 -8.590 -4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 8 19.835 -7.197 -5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 8 21.120 -8.023 -4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 8 19.442 -8.454 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 8 21.128 -7.887 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.858 -6.956 -1.076 1.00 0.00 H new ATOM 136 N ALA A 9 21.075 -4.854 -5.666 1.00 0.00 N ATOM 137 CA ALA A 9 20.802 -4.207 -6.957 1.00 0.00 C ATOM 138 C ALA A 9 19.382 -4.530 -7.490 1.00 0.00 C ATOM 139 O ALA A 9 18.865 -5.618 -7.200 1.00 0.00 O ATOM 140 CB ALA A 9 21.897 -4.650 -7.941 1.00 0.00 C ATOM 0 H ALA A 9 21.885 -5.473 -5.691 1.00 0.00 H new ATOM 0 HA ALA A 9 20.822 -3.124 -6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 9 21.723 -4.186 -8.912 1.00 0.00 H new ATOM 0 HB2 ALA A 9 22.872 -4.344 -7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 9 21.873 -5.735 -8.048 1.00 0.00 H new ATOM 146 N PRO A 10 18.743 -3.633 -8.273 1.00 0.00 N ATOM 147 CA PRO A 10 17.379 -3.833 -8.757 1.00 0.00 C ATOM 148 C PRO A 10 17.311 -5.042 -9.696 1.00 0.00 C ATOM 149 O PRO A 10 17.926 -5.054 -10.761 1.00 0.00 O ATOM 150 CB PRO A 10 16.971 -2.521 -9.441 1.00 0.00 C ATOM 151 CG PRO A 10 18.306 -1.895 -9.844 1.00 0.00 C ATOM 152 CD PRO A 10 19.249 -2.343 -8.728 1.00 0.00 C ATOM 0 HA PRO A 10 16.685 -4.059 -7.947 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.335 -2.702 -10.308 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.412 -1.873 -8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 10 18.639 -2.249 -10.820 1.00 0.00 H new ATOM 0 HG3 PRO A 10 18.240 -0.809 -9.904 1.00 0.00 H new ATOM 0 HD2 PRO A 10 20.272 -2.431 -9.093 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.262 -1.619 -7.913 1.00 0.00 H new ATOM 160 N GLN A 11 16.558 -6.068 -9.284 1.00 0.00 N ATOM 161 CA GLN A 11 16.378 -7.304 -10.059 1.00 0.00 C ATOM 162 C GLN A 11 15.421 -7.078 -11.241 1.00 0.00 C ATOM 163 O GLN A 11 15.605 -7.620 -12.330 1.00 0.00 O ATOM 164 CB GLN A 11 15.821 -8.402 -9.136 1.00 0.00 C ATOM 165 CG GLN A 11 16.687 -8.723 -7.901 1.00 0.00 C ATOM 166 CD GLN A 11 18.104 -9.189 -8.248 1.00 0.00 C ATOM 167 OE1 GLN A 11 18.327 -10.303 -8.707 1.00 0.00 O ATOM 168 NE2 GLN A 11 19.114 -8.364 -8.053 1.00 0.00 N ATOM 0 H GLN A 11 16.053 -6.066 -8.398 1.00 0.00 H new ATOM 0 HA GLN A 11 17.344 -7.611 -10.460 1.00 0.00 H new ATOM 0 HB2 GLN A 11 14.830 -8.101 -8.797 1.00 0.00 H new ATOM 0 HB3 GLN A 11 15.695 -9.315 -9.719 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.750 -7.835 -7.271 1.00 0.00 H new ATOM 0 HG3 GLN A 11 16.193 -9.497 -7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 11 18.946 -7.433 -7.672 1.00 0.00 H new ATOM 0 HE22 GLN A 11 20.063 -8.657 -8.284 1.00 0.00 H new ATOM 177 N ASN A 12 14.413 -6.230 -11.024 1.00 0.00 N ATOM 178 CA ASN A 12 13.400 -5.810 -11.995 1.00 0.00 C ATOM 179 C ASN A 12 13.875 -4.606 -12.831 1.00 0.00 C ATOM 180 O ASN A 12 13.266 -3.535 -12.842 1.00 0.00 O ATOM 181 CB ASN A 12 12.068 -5.591 -11.260 1.00 0.00 C ATOM 182 CG ASN A 12 12.184 -4.744 -9.990 1.00 0.00 C ATOM 183 OD1 ASN A 12 11.879 -5.201 -8.896 1.00 0.00 O ATOM 184 ND2 ASN A 12 12.683 -3.524 -10.081 1.00 0.00 N ATOM 0 H ASN A 12 14.274 -5.793 -10.113 1.00 0.00 H new ATOM 0 HA ASN A 12 13.236 -6.595 -12.733 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.365 -5.111 -11.941 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.646 -6.562 -10.999 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.814 -2.963 -9.240 1.00 0.00 H new ATOM 0 HD22 ASN A 12 12.937 -3.144 -10.993 1.00 0.00 H new ATOM 191 N THR A 13 14.994 -4.793 -13.523 1.00 0.00 N ATOM 192 CA THR A 13 15.686 -3.802 -14.377 1.00 0.00 C ATOM 193 C THR A 13 14.770 -3.120 -15.396 1.00 0.00 C ATOM 194 O THR A 13 14.945 -1.936 -15.676 1.00 0.00 O ATOM 195 CB THR A 13 16.858 -4.459 -15.118 1.00 0.00 C ATOM 196 OG1 THR A 13 16.387 -5.583 -15.836 1.00 0.00 O ATOM 197 CG2 THR A 13 17.943 -4.922 -14.148 1.00 0.00 C ATOM 0 H THR A 13 15.480 -5.689 -13.510 1.00 0.00 H new ATOM 0 HA THR A 13 16.045 -3.028 -13.699 1.00 0.00 H new ATOM 0 HB THR A 13 17.286 -3.718 -15.793 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.133 -6.004 -16.312 1.00 0.00 H new ATOM 0 HG21 THR A 13 18.758 -5.383 -14.706 1.00 0.00 H new ATOM 0 HG22 THR A 13 18.323 -4.065 -13.592 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.523 -5.649 -13.453 1.00 0.00 H new ATOM 205 N PHE A 14 13.766 -3.836 -15.911 1.00 0.00 N ATOM 206 CA PHE A 14 12.758 -3.292 -16.828 1.00 0.00 C ATOM 207 C PHE A 14 11.840 -2.273 -16.139 1.00 0.00 C ATOM 208 O PHE A 14 11.629 -1.176 -16.651 1.00 0.00 O ATOM 209 CB PHE A 14 11.939 -4.453 -17.403 1.00 0.00 C ATOM 210 CG PHE A 14 11.234 -4.111 -18.702 1.00 0.00 C ATOM 211 CD1 PHE A 14 9.958 -3.513 -18.687 1.00 0.00 C ATOM 212 CD2 PHE A 14 11.866 -4.371 -19.934 1.00 0.00 C ATOM 213 CE1 PHE A 14 9.319 -3.182 -19.896 1.00 0.00 C ATOM 214 CE2 PHE A 14 11.225 -4.044 -21.142 1.00 0.00 C ATOM 215 CZ PHE A 14 9.951 -3.448 -21.124 1.00 0.00 C ATOM 0 H PHE A 14 13.628 -4.824 -15.700 1.00 0.00 H new ATOM 0 HA PHE A 14 13.269 -2.759 -17.630 1.00 0.00 H new ATOM 0 HB2 PHE A 14 12.598 -5.305 -17.570 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.197 -4.764 -16.667 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.470 -3.308 -17.746 1.00 0.00 H new ATOM 0 HD2 PHE A 14 12.847 -4.823 -19.951 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.342 -2.723 -19.881 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.711 -4.251 -22.084 1.00 0.00 H new ATOM 0 HZ PHE A 14 9.459 -3.195 -22.052 1.00 0.00 H new ATOM 225 N LEU A 15 11.322 -2.624 -14.954 1.00 0.00 N ATOM 226 CA LEU A 15 10.503 -1.751 -14.104 1.00 0.00 C ATOM 227 C LEU A 15 11.302 -0.531 -13.636 1.00 0.00 C ATOM 228 O LEU A 15 10.759 0.566 -13.574 1.00 0.00 O ATOM 229 CB LEU A 15 9.988 -2.572 -12.904 1.00 0.00 C ATOM 230 CG LEU A 15 9.185 -1.756 -11.873 1.00 0.00 C ATOM 231 CD1 LEU A 15 7.814 -1.323 -12.412 1.00 0.00 C ATOM 232 CD2 LEU A 15 9.019 -2.566 -10.583 1.00 0.00 C ATOM 0 H LEU A 15 11.466 -3.549 -14.550 1.00 0.00 H new ATOM 0 HA LEU A 15 9.656 -1.376 -14.677 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.361 -3.382 -13.276 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.839 -3.032 -12.402 1.00 0.00 H new ATOM 0 HG LEU A 15 9.748 -0.846 -11.664 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.287 -0.751 -11.648 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.951 -0.704 -13.299 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.230 -2.206 -12.672 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.450 -1.983 -9.858 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.488 -3.492 -10.801 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.001 -2.799 -10.171 1.00 0.00 H new ATOM 244 N ASP A 16 12.593 -0.691 -13.352 1.00 0.00 N ATOM 245 CA ASP A 16 13.473 0.403 -12.911 1.00 0.00 C ATOM 246 C ASP A 16 13.572 1.542 -13.942 1.00 0.00 C ATOM 247 O ASP A 16 13.698 2.715 -13.575 1.00 0.00 O ATOM 248 CB ASP A 16 14.855 -0.182 -12.613 1.00 0.00 C ATOM 249 CG ASP A 16 15.756 0.828 -11.882 1.00 0.00 C ATOM 250 OD1 ASP A 16 15.462 1.158 -10.709 1.00 0.00 O ATOM 251 OD2 ASP A 16 16.765 1.274 -12.480 1.00 0.00 O ATOM 0 H ASP A 16 13.068 -1.591 -13.421 1.00 0.00 H new ATOM 0 HA ASP A 16 13.045 0.850 -12.014 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.746 -1.080 -12.004 1.00 0.00 H new ATOM 0 HB3 ASP A 16 15.331 -0.485 -13.546 1.00 0.00 H new ATOM 256 N THR A 17 13.424 1.193 -15.228 1.00 0.00 N ATOM 257 CA THR A 17 13.342 2.134 -16.361 1.00 0.00 C ATOM 258 C THR A 17 12.005 2.874 -16.393 1.00 0.00 C ATOM 259 O THR A 17 11.928 3.963 -16.951 1.00 0.00 O ATOM 260 CB THR A 17 13.622 1.383 -17.675 1.00 0.00 C ATOM 261 OG1 THR A 17 14.949 0.895 -17.614 1.00 0.00 O ATOM 262 CG2 THR A 17 13.513 2.243 -18.936 1.00 0.00 C ATOM 0 H THR A 17 13.356 0.218 -15.520 1.00 0.00 H new ATOM 0 HA THR A 17 14.105 2.902 -16.233 1.00 0.00 H new ATOM 0 HB THR A 17 12.865 0.603 -17.755 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.157 0.409 -18.439 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.726 1.632 -19.813 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.504 2.649 -19.013 1.00 0.00 H new ATOM 0 HG23 THR A 17 14.231 3.062 -18.881 1.00 0.00 H new ATOM 270 N ILE A 18 10.960 2.338 -15.758 1.00 0.00 N ATOM 271 CA ILE A 18 9.651 2.991 -15.580 1.00 0.00 C ATOM 272 C ILE A 18 9.642 3.857 -14.317 1.00 0.00 C ATOM 273 O ILE A 18 9.181 4.994 -14.358 1.00 0.00 O ATOM 274 CB ILE A 18 8.517 1.937 -15.537 1.00 0.00 C ATOM 275 CG1 ILE A 18 8.688 0.804 -16.574 1.00 0.00 C ATOM 276 CG2 ILE A 18 7.145 2.616 -15.694 1.00 0.00 C ATOM 277 CD1 ILE A 18 8.804 1.242 -18.040 1.00 0.00 C ATOM 0 H ILE A 18 10.998 1.409 -15.339 1.00 0.00 H new ATOM 0 HA ILE A 18 9.475 3.643 -16.435 1.00 0.00 H new ATOM 0 HB ILE A 18 8.577 1.462 -14.558 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.580 0.234 -16.315 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.839 0.126 -16.485 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.360 1.861 -15.662 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.997 3.329 -14.883 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.105 3.140 -16.649 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.920 0.363 -18.674 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.903 1.783 -18.331 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.671 1.892 -18.158 1.00 0.00 H new ATOM 289 N ILE A 19 10.205 3.365 -13.208 1.00 0.00 N ATOM 290 CA ILE A 19 10.292 4.100 -11.928 1.00 0.00 C ATOM 291 C ILE A 19 10.946 5.473 -12.137 1.00 0.00 C ATOM 292 O ILE A 19 10.412 6.481 -11.672 1.00 0.00 O ATOM 293 CB ILE A 19 11.027 3.244 -10.862 1.00 0.00 C ATOM 294 CG1 ILE A 19 10.169 2.015 -10.467 1.00 0.00 C ATOM 295 CG2 ILE A 19 11.348 4.080 -9.608 1.00 0.00 C ATOM 296 CD1 ILE A 19 10.909 0.974 -9.615 1.00 0.00 C ATOM 0 H ILE A 19 10.620 2.434 -13.167 1.00 0.00 H new ATOM 0 HA ILE A 19 9.286 4.284 -11.551 1.00 0.00 H new ATOM 0 HB ILE A 19 11.964 2.899 -11.299 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.293 2.360 -9.918 1.00 0.00 H new ATOM 0 HG13 ILE A 19 9.807 1.533 -11.375 1.00 0.00 H new ATOM 0 HG21 ILE A 19 11.863 3.456 -8.877 1.00 0.00 H new ATOM 0 HG22 ILE A 19 11.987 4.919 -9.884 1.00 0.00 H new ATOM 0 HG23 ILE A 19 10.421 4.457 -9.175 1.00 0.00 H new ATOM 0 HD11 ILE A 19 10.236 0.148 -9.384 1.00 0.00 H new ATOM 0 HD12 ILE A 19 11.770 0.597 -10.168 1.00 0.00 H new ATOM 0 HD13 ILE A 19 11.248 1.437 -8.688 1.00 0.00 H new ATOM 308 N ARG A 20 12.050 5.541 -12.891 1.00 0.00 N ATOM 309 CA ARG A 20 12.771 6.796 -13.150 1.00 0.00 C ATOM 310 C ARG A 20 11.969 7.813 -13.987 1.00 0.00 C ATOM 311 O ARG A 20 12.209 9.016 -13.882 1.00 0.00 O ATOM 312 CB ARG A 20 14.147 6.489 -13.768 1.00 0.00 C ATOM 313 CG ARG A 20 14.074 6.004 -15.223 1.00 0.00 C ATOM 314 CD ARG A 20 15.454 5.629 -15.774 1.00 0.00 C ATOM 315 NE ARG A 20 15.384 5.360 -17.223 1.00 0.00 N ATOM 316 CZ ARG A 20 16.412 5.083 -18.020 1.00 0.00 C ATOM 317 NH1 ARG A 20 17.634 4.925 -17.554 1.00 0.00 N ATOM 318 NH2 ARG A 20 16.225 4.968 -19.317 1.00 0.00 N ATOM 0 H ARG A 20 12.470 4.727 -13.340 1.00 0.00 H new ATOM 0 HA ARG A 20 12.917 7.289 -12.189 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.764 7.386 -13.724 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.645 5.730 -13.165 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.412 5.140 -15.284 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.636 6.785 -15.844 1.00 0.00 H new ATOM 0 HD2 ARG A 20 16.159 6.438 -15.583 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.831 4.749 -15.254 1.00 0.00 H new ATOM 0 HE ARG A 20 14.460 5.389 -17.654 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.814 5.015 -16.554 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.400 4.713 -18.193 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.292 5.091 -19.711 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.013 4.756 -19.929 1.00 0.00 H new ATOM 332 N LYS A 21 11.002 7.353 -14.796 1.00 0.00 N ATOM 333 CA LYS A 21 10.096 8.205 -15.585 1.00 0.00 C ATOM 334 C LYS A 21 8.955 8.786 -14.724 1.00 0.00 C ATOM 335 O LYS A 21 8.539 9.926 -14.944 1.00 0.00 O ATOM 336 CB LYS A 21 9.529 7.377 -16.752 1.00 0.00 C ATOM 337 CG LYS A 21 10.612 6.951 -17.760 1.00 0.00 C ATOM 338 CD LYS A 21 10.104 5.955 -18.813 1.00 0.00 C ATOM 339 CE LYS A 21 8.974 6.554 -19.662 1.00 0.00 C ATOM 340 NZ LYS A 21 8.606 5.675 -20.807 1.00 0.00 N ATOM 0 H LYS A 21 10.824 6.357 -14.923 1.00 0.00 H new ATOM 0 HA LYS A 21 10.661 9.054 -15.970 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.037 6.488 -16.356 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.767 7.960 -17.269 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.998 7.837 -18.264 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.446 6.504 -17.219 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.929 5.659 -19.461 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.748 5.052 -18.318 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.098 6.717 -19.035 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.282 7.529 -20.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.840 6.118 -21.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.435 5.539 -21.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.286 4.753 -20.448 1.00 0.00 H new ATOM 354 N PHE A 22 8.489 8.030 -13.721 1.00 0.00 N ATOM 355 CA PHE A 22 7.559 8.509 -12.692 1.00 0.00 C ATOM 356 C PHE A 22 8.261 9.443 -11.687 1.00 0.00 C ATOM 357 O PHE A 22 7.647 10.399 -11.207 1.00 0.00 O ATOM 358 CB PHE A 22 6.915 7.301 -11.985 1.00 0.00 C ATOM 359 CG PHE A 22 5.706 6.715 -12.702 1.00 0.00 C ATOM 360 CD1 PHE A 22 5.859 5.979 -13.895 1.00 0.00 C ATOM 361 CD2 PHE A 22 4.412 6.910 -12.177 1.00 0.00 C ATOM 362 CE1 PHE A 22 4.736 5.444 -14.554 1.00 0.00 C ATOM 363 CE2 PHE A 22 3.289 6.374 -12.836 1.00 0.00 C ATOM 364 CZ PHE A 22 3.450 5.638 -14.021 1.00 0.00 C ATOM 0 H PHE A 22 8.753 7.052 -13.601 1.00 0.00 H new ATOM 0 HA PHE A 22 6.776 9.097 -13.170 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.667 6.520 -11.872 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.615 7.602 -10.981 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.846 5.825 -14.306 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.282 7.473 -11.265 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.863 4.885 -15.469 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.301 6.529 -12.429 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.588 5.222 -14.521 1.00 0.00 H new ATOM 374 N GLU A 23 9.540 9.189 -11.385 1.00 0.00 N ATOM 375 CA GLU A 23 10.340 10.005 -10.471 1.00 0.00 C ATOM 376 C GLU A 23 10.792 11.361 -11.056 1.00 0.00 C ATOM 377 O GLU A 23 10.478 11.732 -12.192 1.00 0.00 O ATOM 378 CB GLU A 23 11.525 9.188 -9.906 1.00 0.00 C ATOM 379 CG GLU A 23 11.248 8.701 -8.479 1.00 0.00 C ATOM 380 CD GLU A 23 11.355 9.820 -7.419 1.00 0.00 C ATOM 381 OE1 GLU A 23 10.965 10.983 -7.694 1.00 0.00 O ATOM 382 OE2 GLU A 23 11.832 9.541 -6.295 1.00 0.00 O ATOM 0 H GLU A 23 10.053 8.399 -11.776 1.00 0.00 H new ATOM 0 HA GLU A 23 9.679 10.274 -9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.717 8.331 -10.552 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.426 9.801 -9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.249 8.266 -8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.952 7.907 -8.231 1.00 0.00 H new ATOM 389 N GLY A 24 11.494 12.125 -10.215 1.00 0.00 N ATOM 390 CA GLY A 24 11.716 13.569 -10.325 1.00 0.00 C ATOM 391 C GLY A 24 10.828 14.363 -9.359 1.00 0.00 C ATOM 392 O GLY A 24 10.711 15.579 -9.506 1.00 0.00 O ATOM 0 H GLY A 24 11.949 11.730 -9.392 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.763 13.791 -10.120 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.516 13.890 -11.347 1.00 0.00 H new ATOM 396 N GLN A 25 10.179 13.685 -8.399 1.00 0.00 N ATOM 397 CA GLN A 25 9.166 14.265 -7.506 1.00 0.00 C ATOM 398 C GLN A 25 9.373 13.886 -6.027 1.00 0.00 C ATOM 399 O GLN A 25 8.924 14.614 -5.142 1.00 0.00 O ATOM 400 CB GLN A 25 7.771 13.811 -7.977 1.00 0.00 C ATOM 401 CG GLN A 25 7.425 14.234 -9.417 1.00 0.00 C ATOM 402 CD GLN A 25 6.000 13.830 -9.799 1.00 0.00 C ATOM 403 OE1 GLN A 25 5.044 14.574 -9.610 1.00 0.00 O ATOM 404 NE2 GLN A 25 5.785 12.642 -10.330 1.00 0.00 N ATOM 0 H GLN A 25 10.349 12.695 -8.219 1.00 0.00 H new ATOM 0 HA GLN A 25 9.261 15.350 -7.560 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.710 12.725 -7.904 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.020 14.218 -7.300 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.536 15.314 -9.516 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.131 13.777 -10.110 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.567 12.008 -10.495 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.837 12.357 -10.575 1.00 0.00 H new ATOM 413 N SER A 26 10.045 12.766 -5.737 1.00 0.00 N ATOM 414 CA SER A 26 10.550 12.374 -4.406 1.00 0.00 C ATOM 415 C SER A 26 9.457 11.866 -3.431 1.00 0.00 C ATOM 416 O SER A 26 9.672 11.794 -2.216 1.00 0.00 O ATOM 417 CB SER A 26 11.412 13.502 -3.805 1.00 0.00 C ATOM 418 OG SER A 26 12.436 12.990 -2.957 1.00 0.00 O ATOM 0 H SER A 26 10.264 12.073 -6.453 1.00 0.00 H new ATOM 0 HA SER A 26 11.186 11.502 -4.559 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.863 14.083 -4.610 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.777 14.182 -3.238 1.00 0.00 H new ATOM 0 HG SER A 26 12.963 13.733 -2.595 1.00 0.00 H new ATOM 424 N ARG A 27 8.266 11.504 -3.942 1.00 0.00 N ATOM 425 CA ARG A 27 7.187 10.906 -3.135 1.00 0.00 C ATOM 426 C ARG A 27 7.501 9.450 -2.746 1.00 0.00 C ATOM 427 O ARG A 27 8.390 8.796 -3.292 1.00 0.00 O ATOM 428 CB ARG A 27 5.807 10.995 -3.823 1.00 0.00 C ATOM 429 CG ARG A 27 5.171 12.395 -3.858 1.00 0.00 C ATOM 430 CD ARG A 27 5.734 13.317 -4.941 1.00 0.00 C ATOM 431 NE ARG A 27 4.991 14.590 -4.980 1.00 0.00 N ATOM 432 CZ ARG A 27 5.347 15.748 -4.431 1.00 0.00 C ATOM 433 NH1 ARG A 27 6.537 15.945 -3.897 1.00 0.00 N ATOM 434 NH2 ARG A 27 4.486 16.743 -4.416 1.00 0.00 N ATOM 0 H ARG A 27 8.025 11.618 -4.926 1.00 0.00 H new ATOM 0 HA ARG A 27 7.135 11.501 -2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.908 10.636 -4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.122 10.317 -3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.097 12.289 -4.010 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.310 12.869 -2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.789 13.512 -4.747 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.674 12.825 -5.912 1.00 0.00 H new ATOM 0 HE ARG A 27 4.105 14.582 -5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.226 15.193 -3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.768 16.850 -3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.558 16.621 -4.822 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.746 17.636 -3.998 1.00 0.00 H new ATOM 448 N LYS A 28 6.727 8.927 -1.793 1.00 0.00 N ATOM 449 CA LYS A 28 6.865 7.580 -1.233 1.00 0.00 C ATOM 450 C LYS A 28 6.021 6.577 -2.036 1.00 0.00 C ATOM 451 O LYS A 28 4.854 6.837 -2.322 1.00 0.00 O ATOM 452 CB LYS A 28 6.448 7.603 0.255 1.00 0.00 C ATOM 453 CG LYS A 28 7.078 8.745 1.073 1.00 0.00 C ATOM 454 CD LYS A 28 6.141 9.966 1.204 1.00 0.00 C ATOM 455 CE LYS A 28 6.965 11.172 1.673 1.00 0.00 C ATOM 456 NZ LYS A 28 6.187 12.445 1.699 1.00 0.00 N ATOM 0 H LYS A 28 5.958 9.449 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 28 7.905 7.259 -1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.363 7.685 0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.721 6.652 0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.332 8.378 2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.010 9.055 0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.666 10.182 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.342 9.755 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.354 10.971 2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.825 11.294 1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.800 13.220 2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.837 12.658 0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.381 12.346 2.348 1.00 0.00 H new ATOM 470 N PHE A 29 6.587 5.415 -2.364 1.00 0.00 N ATOM 471 CA PHE A 29 5.910 4.347 -3.102 1.00 0.00 C ATOM 472 C PHE A 29 6.568 2.977 -2.918 1.00 0.00 C ATOM 473 O PHE A 29 7.735 2.867 -2.543 1.00 0.00 O ATOM 474 CB PHE A 29 5.802 4.718 -4.595 1.00 0.00 C ATOM 475 CG PHE A 29 7.131 4.938 -5.298 1.00 0.00 C ATOM 476 CD1 PHE A 29 7.878 3.842 -5.773 1.00 0.00 C ATOM 477 CD2 PHE A 29 7.629 6.245 -5.468 1.00 0.00 C ATOM 478 CE1 PHE A 29 9.126 4.051 -6.388 1.00 0.00 C ATOM 479 CE2 PHE A 29 8.872 6.454 -6.087 1.00 0.00 C ATOM 480 CZ PHE A 29 9.626 5.356 -6.539 1.00 0.00 C ATOM 0 H PHE A 29 7.550 5.185 -2.119 1.00 0.00 H new ATOM 0 HA PHE A 29 4.908 4.255 -2.683 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.261 3.926 -5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.205 5.625 -4.687 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.492 2.839 -5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.052 7.090 -5.121 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.700 3.208 -6.744 1.00 0.00 H new ATOM 0 HE2 PHE A 29 9.249 7.458 -6.216 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.589 5.516 -7.002 1.00 0.00 H new ATOM 490 N ILE A 30 5.806 1.932 -3.236 1.00 0.00 N ATOM 491 CA ILE A 30 6.225 0.524 -3.290 1.00 0.00 C ATOM 492 C ILE A 30 5.580 -0.162 -4.500 1.00 0.00 C ATOM 493 O ILE A 30 4.600 0.339 -5.045 1.00 0.00 O ATOM 494 CB ILE A 30 5.881 -0.203 -1.965 1.00 0.00 C ATOM 495 CG1 ILE A 30 4.362 -0.240 -1.685 1.00 0.00 C ATOM 496 CG2 ILE A 30 6.601 0.451 -0.780 1.00 0.00 C ATOM 497 CD1 ILE A 30 4.010 -0.880 -0.338 1.00 0.00 C ATOM 0 H ILE A 30 4.822 2.047 -3.478 1.00 0.00 H new ATOM 0 HA ILE A 30 7.307 0.476 -3.409 1.00 0.00 H new ATOM 0 HB ILE A 30 6.225 -1.231 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.970 0.777 -1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.866 -0.793 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.344 -0.077 0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.679 0.402 -0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.293 1.493 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.928 -0.874 -0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.373 -1.908 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.478 -0.314 0.467 1.00 0.00 H new ATOM 509 N ILE A 31 6.113 -1.301 -4.935 1.00 0.00 N ATOM 510 CA ILE A 31 5.589 -2.099 -6.047 1.00 0.00 C ATOM 511 C ILE A 31 5.367 -3.536 -5.584 1.00 0.00 C ATOM 512 O ILE A 31 6.248 -4.145 -4.974 1.00 0.00 O ATOM 513 CB ILE A 31 6.522 -2.046 -7.283 1.00 0.00 C ATOM 514 CG1 ILE A 31 6.748 -0.596 -7.780 1.00 0.00 C ATOM 515 CG2 ILE A 31 5.896 -2.873 -8.428 1.00 0.00 C ATOM 516 CD1 ILE A 31 8.014 0.073 -7.233 1.00 0.00 C ATOM 0 H ILE A 31 6.947 -1.709 -4.512 1.00 0.00 H new ATOM 0 HA ILE A 31 4.635 -1.673 -6.357 1.00 0.00 H new ATOM 0 HB ILE A 31 7.487 -2.457 -6.987 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.797 -0.602 -8.869 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.884 0.008 -7.503 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.549 -2.839 -9.300 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.775 -3.907 -8.106 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.922 -2.457 -8.687 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.093 1.084 -7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.962 0.116 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.889 -0.504 -7.532 1.00 0.00 H new ATOM 528 N ALA A 32 4.207 -4.091 -5.926 1.00 0.00 N ATOM 529 CA ALA A 32 3.817 -5.459 -5.609 1.00 0.00 C ATOM 530 C ALA A 32 3.287 -6.191 -6.844 1.00 0.00 C ATOM 531 O ALA A 32 2.639 -5.593 -7.707 1.00 0.00 O ATOM 532 CB ALA A 32 2.788 -5.386 -4.484 1.00 0.00 C ATOM 0 H ALA A 32 3.492 -3.584 -6.447 1.00 0.00 H new ATOM 0 HA ALA A 32 4.678 -6.040 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.469 -6.393 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.234 -4.903 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.925 -4.809 -4.817 1.00 0.00 H new ATOM 538 N ASN A 33 3.568 -7.493 -6.941 1.00 0.00 N ATOM 539 CA ASN A 33 3.094 -8.324 -8.040 1.00 0.00 C ATOM 540 C ASN A 33 1.584 -8.606 -7.922 1.00 0.00 C ATOM 541 O ASN A 33 1.117 -9.133 -6.912 1.00 0.00 O ATOM 542 CB ASN A 33 3.915 -9.619 -8.071 1.00 0.00 C ATOM 543 CG ASN A 33 3.770 -10.299 -9.422 1.00 0.00 C ATOM 544 OD1 ASN A 33 2.748 -10.896 -9.731 1.00 0.00 O ATOM 545 ND2 ASN A 33 4.765 -10.160 -10.274 1.00 0.00 N ATOM 0 H ASN A 33 4.132 -7.997 -6.257 1.00 0.00 H new ATOM 0 HA ASN A 33 3.233 -7.793 -8.982 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.965 -9.398 -7.878 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.580 -10.290 -7.280 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.692 -10.554 -11.212 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.608 -9.658 -9.996 1.00 0.00 H new ATOM 552 N ALA A 34 0.823 -8.287 -8.973 1.00 0.00 N ATOM 553 CA ALA A 34 -0.637 -8.428 -9.011 1.00 0.00 C ATOM 554 C ALA A 34 -1.084 -9.902 -9.050 1.00 0.00 C ATOM 555 O ALA A 34 -2.102 -10.266 -8.465 1.00 0.00 O ATOM 556 CB ALA A 34 -1.145 -7.661 -10.243 1.00 0.00 C ATOM 0 H ALA A 34 1.212 -7.916 -9.840 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.064 -8.015 -8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.230 -7.745 -10.302 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.867 -6.611 -10.158 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.699 -8.083 -11.144 1.00 0.00 H new ATOM 562 N ARG A 35 -0.292 -10.773 -9.687 1.00 0.00 N ATOM 563 CA ARG A 35 -0.601 -12.190 -9.960 1.00 0.00 C ATOM 564 C ARG A 35 -0.358 -13.104 -8.734 1.00 0.00 C ATOM 565 O ARG A 35 0.132 -14.226 -8.869 1.00 0.00 O ATOM 566 CB ARG A 35 0.194 -12.647 -11.207 1.00 0.00 C ATOM 567 CG ARG A 35 0.128 -11.706 -12.428 1.00 0.00 C ATOM 568 CD ARG A 35 -1.286 -11.452 -12.965 1.00 0.00 C ATOM 569 NE ARG A 35 -1.892 -12.674 -13.527 1.00 0.00 N ATOM 570 CZ ARG A 35 -3.103 -12.775 -14.067 1.00 0.00 C ATOM 571 NH1 ARG A 35 -3.921 -11.745 -14.154 1.00 0.00 N ATOM 572 NH2 ARG A 35 -3.513 -13.932 -14.538 1.00 0.00 N ATOM 0 H ARG A 35 0.624 -10.501 -10.044 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.667 -12.280 -10.167 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.239 -12.770 -10.923 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.172 -13.628 -11.508 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.577 -10.750 -12.158 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.736 -12.128 -13.228 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.916 -11.072 -12.161 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.249 -10.680 -13.733 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.328 -13.523 -13.499 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.632 -10.833 -13.801 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.843 -11.860 -14.575 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.903 -14.748 -14.488 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.441 -14.014 -14.953 1.00 0.00 H new ATOM 586 N VAL A 36 -0.649 -12.603 -7.528 1.00 0.00 N ATOM 587 CA VAL A 36 -0.337 -13.214 -6.218 1.00 0.00 C ATOM 588 C VAL A 36 -1.483 -12.916 -5.243 1.00 0.00 C ATOM 589 O VAL A 36 -1.911 -11.769 -5.139 1.00 0.00 O ATOM 590 CB VAL A 36 1.005 -12.680 -5.642 1.00 0.00 C ATOM 591 CG1 VAL A 36 1.334 -13.298 -4.272 1.00 0.00 C ATOM 592 CG2 VAL A 36 2.197 -12.933 -6.578 1.00 0.00 C ATOM 0 H VAL A 36 -1.135 -11.712 -7.427 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.229 -14.290 -6.354 1.00 0.00 H new ATOM 0 HB VAL A 36 0.856 -11.605 -5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.280 -12.896 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.541 -13.056 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.414 -14.381 -4.371 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.106 -12.539 -6.124 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.309 -14.005 -6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.023 -12.435 -7.532 1.00 0.00 H new ATOM 602 N GLU A 37 -1.948 -13.935 -4.510 1.00 0.00 N ATOM 603 CA GLU A 37 -3.138 -13.872 -3.638 1.00 0.00 C ATOM 604 C GLU A 37 -3.095 -12.774 -2.560 1.00 0.00 C ATOM 605 O GLU A 37 -4.117 -12.161 -2.246 1.00 0.00 O ATOM 606 CB GLU A 37 -3.371 -15.246 -2.982 1.00 0.00 C ATOM 607 CG GLU A 37 -2.231 -15.781 -2.102 1.00 0.00 C ATOM 608 CD GLU A 37 -2.551 -17.197 -1.600 1.00 0.00 C ATOM 609 OE1 GLU A 37 -2.209 -18.183 -2.295 1.00 0.00 O ATOM 610 OE2 GLU A 37 -3.141 -17.335 -0.502 1.00 0.00 O ATOM 0 H GLU A 37 -1.499 -14.851 -4.503 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.969 -13.602 -4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.274 -15.186 -2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.565 -15.973 -3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.301 -15.793 -2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.077 -15.115 -1.253 1.00 0.00 H new ATOM 617 N ASN A 38 -1.907 -12.515 -2.006 1.00 0.00 N ATOM 618 CA ASN A 38 -1.657 -11.535 -0.940 1.00 0.00 C ATOM 619 C ASN A 38 -1.010 -10.228 -1.458 1.00 0.00 C ATOM 620 O ASN A 38 -0.805 -9.301 -0.678 1.00 0.00 O ATOM 621 CB ASN A 38 -0.814 -12.233 0.142 1.00 0.00 C ATOM 622 CG ASN A 38 0.546 -12.700 -0.364 1.00 0.00 C ATOM 623 OD1 ASN A 38 1.491 -11.928 -0.457 1.00 0.00 O ATOM 624 ND2 ASN A 38 0.662 -13.960 -0.751 1.00 0.00 N ATOM 0 H ASN A 38 -1.059 -13.000 -2.298 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.605 -11.206 -0.514 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.668 -11.548 0.977 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.366 -13.091 0.526 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.546 -14.297 -1.132 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.133 -14.594 -0.669 1.00 0.00 H new ATOM 631 N CYS A 39 -0.680 -10.155 -2.761 1.00 0.00 N ATOM 632 CA CYS A 39 0.040 -9.050 -3.420 1.00 0.00 C ATOM 633 C CYS A 39 1.353 -8.707 -2.685 1.00 0.00 C ATOM 634 O CYS A 39 1.450 -7.699 -1.985 1.00 0.00 O ATOM 635 CB CYS A 39 -0.918 -7.856 -3.583 1.00 0.00 C ATOM 636 SG CYS A 39 -0.314 -6.740 -4.878 1.00 0.00 S ATOM 0 H CYS A 39 -0.920 -10.901 -3.414 1.00 0.00 H new ATOM 0 HA CYS A 39 0.357 -9.353 -4.418 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.916 -8.213 -3.837 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.003 -7.317 -2.639 1.00 0.00 H new ATOM 0 HG CYS A 39 0.291 -7.431 -5.799 1.00 0.00 H new ATOM 642 N ALA A 40 2.355 -9.584 -2.779 1.00 0.00 N ATOM 643 CA ALA A 40 3.628 -9.424 -2.069 1.00 0.00 C ATOM 644 C ALA A 40 4.424 -8.209 -2.593 1.00 0.00 C ATOM 645 O ALA A 40 4.578 -8.074 -3.808 1.00 0.00 O ATOM 646 CB ALA A 40 4.430 -10.725 -2.205 1.00 0.00 C ATOM 0 H ALA A 40 2.307 -10.427 -3.351 1.00 0.00 H new ATOM 0 HA ALA A 40 3.432 -9.227 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.381 -10.623 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.864 -11.549 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.616 -10.929 -3.259 1.00 0.00 H new ATOM 652 N VAL A 41 4.969 -7.363 -1.704 1.00 0.00 N ATOM 653 CA VAL A 41 5.896 -6.277 -2.109 1.00 0.00 C ATOM 654 C VAL A 41 7.152 -6.895 -2.736 1.00 0.00 C ATOM 655 O VAL A 41 7.851 -7.672 -2.084 1.00 0.00 O ATOM 656 CB VAL A 41 6.313 -5.305 -0.968 1.00 0.00 C ATOM 657 CG1 VAL A 41 7.054 -4.090 -1.545 1.00 0.00 C ATOM 658 CG2 VAL A 41 5.097 -4.792 -0.182 1.00 0.00 C ATOM 0 H VAL A 41 4.789 -7.404 -0.701 1.00 0.00 H new ATOM 0 HA VAL A 41 5.343 -5.667 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 41 6.962 -5.867 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.339 -3.419 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.948 -4.425 -2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.401 -3.562 -2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.431 -4.116 0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.426 -4.260 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.569 -5.635 0.263 1.00 0.00 H new ATOM 668 N ILE A 42 7.425 -6.543 -3.996 1.00 0.00 N ATOM 669 CA ILE A 42 8.619 -6.974 -4.751 1.00 0.00 C ATOM 670 C ILE A 42 9.688 -5.877 -4.823 1.00 0.00 C ATOM 671 O ILE A 42 10.864 -6.183 -5.028 1.00 0.00 O ATOM 672 CB ILE A 42 8.251 -7.454 -6.176 1.00 0.00 C ATOM 673 CG1 ILE A 42 7.528 -6.379 -7.021 1.00 0.00 C ATOM 674 CG2 ILE A 42 7.432 -8.751 -6.090 1.00 0.00 C ATOM 675 CD1 ILE A 42 7.388 -6.747 -8.502 1.00 0.00 C ATOM 0 H ILE A 42 6.810 -5.936 -4.538 1.00 0.00 H new ATOM 0 HA ILE A 42 9.040 -7.815 -4.200 1.00 0.00 H new ATOM 0 HB ILE A 42 9.185 -7.651 -6.703 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.536 -6.209 -6.603 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.074 -5.439 -6.940 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.175 -9.086 -7.095 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.021 -9.521 -5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.519 -8.568 -5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.871 -5.945 -9.029 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.377 -6.888 -8.937 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.816 -7.670 -8.595 1.00 0.00 H new ATOM 687 N TYR A 43 9.293 -4.614 -4.635 1.00 0.00 N ATOM 688 CA TYR A 43 10.188 -3.459 -4.650 1.00 0.00 C ATOM 689 C TYR A 43 9.651 -2.318 -3.777 1.00 0.00 C ATOM 690 O TYR A 43 8.450 -2.072 -3.726 1.00 0.00 O ATOM 691 CB TYR A 43 10.398 -2.988 -6.100 1.00 0.00 C ATOM 692 CG TYR A 43 11.707 -2.249 -6.301 1.00 0.00 C ATOM 693 CD1 TYR A 43 12.902 -2.978 -6.444 1.00 0.00 C ATOM 694 CD2 TYR A 43 11.743 -0.841 -6.291 1.00 0.00 C ATOM 695 CE1 TYR A 43 14.133 -2.306 -6.573 1.00 0.00 C ATOM 696 CE2 TYR A 43 12.969 -0.161 -6.428 1.00 0.00 C ATOM 697 CZ TYR A 43 14.170 -0.894 -6.564 1.00 0.00 C ATOM 698 OH TYR A 43 15.367 -0.249 -6.656 1.00 0.00 O ATOM 0 H TYR A 43 8.319 -4.363 -4.464 1.00 0.00 H new ATOM 0 HA TYR A 43 11.147 -3.760 -4.229 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.369 -3.852 -6.764 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.572 -2.337 -6.388 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.875 -4.058 -6.455 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.827 -0.280 -6.178 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.048 -2.870 -6.679 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.991 0.919 -6.429 1.00 0.00 H new ATOM 0 HH TYR A 43 15.219 0.720 -6.637 1.00 0.00 H new ATOM 708 N CYS A 44 10.541 -1.586 -3.116 1.00 0.00 N ATOM 709 CA CYS A 44 10.201 -0.471 -2.219 1.00 0.00 C ATOM 710 C CYS A 44 11.105 0.749 -2.467 1.00 0.00 C ATOM 711 O CYS A 44 12.274 0.561 -2.801 1.00 0.00 O ATOM 712 CB CYS A 44 10.300 -0.934 -0.746 1.00 0.00 C ATOM 713 SG CYS A 44 10.060 -2.718 -0.471 1.00 0.00 S ATOM 0 H CYS A 44 11.545 -1.750 -3.186 1.00 0.00 H new ATOM 0 HA CYS A 44 9.176 -0.164 -2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.279 -0.652 -0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.558 -0.390 -0.161 1.00 0.00 H new ATOM 0 HG CYS A 44 10.168 -2.980 0.798 1.00 0.00 H new ATOM 719 N ASN A 45 10.617 1.978 -2.256 1.00 0.00 N ATOM 720 CA ASN A 45 11.496 3.167 -2.255 1.00 0.00 C ATOM 721 C ASN A 45 12.307 3.271 -0.932 1.00 0.00 C ATOM 722 O ASN A 45 12.301 2.352 -0.116 1.00 0.00 O ATOM 723 CB ASN A 45 10.653 4.431 -2.566 1.00 0.00 C ATOM 724 CG ASN A 45 11.453 5.615 -3.127 1.00 0.00 C ATOM 725 OD1 ASN A 45 12.672 5.585 -3.240 1.00 0.00 O ATOM 726 ND2 ASN A 45 10.804 6.713 -3.462 1.00 0.00 N ATOM 0 H ASN A 45 9.632 2.180 -2.085 1.00 0.00 H new ATOM 0 HA ASN A 45 12.244 3.073 -3.043 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.875 4.165 -3.281 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.151 4.750 -1.653 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.317 7.523 -3.810 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.789 6.752 -3.373 1.00 0.00 H new ATOM 733 N ASP A 46 12.973 4.402 -0.685 1.00 0.00 N ATOM 734 CA ASP A 46 13.610 4.752 0.599 1.00 0.00 C ATOM 735 C ASP A 46 12.796 5.788 1.400 1.00 0.00 C ATOM 736 O ASP A 46 12.926 5.863 2.622 1.00 0.00 O ATOM 737 CB ASP A 46 15.017 5.303 0.326 1.00 0.00 C ATOM 738 CG ASP A 46 15.967 4.230 -0.229 1.00 0.00 C ATOM 739 OD1 ASP A 46 16.463 3.397 0.567 1.00 0.00 O ATOM 740 OD2 ASP A 46 16.240 4.238 -1.453 1.00 0.00 O ATOM 0 H ASP A 46 13.091 5.127 -1.393 1.00 0.00 H new ATOM 0 HA ASP A 46 13.659 3.846 1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.950 6.128 -0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.431 5.709 1.249 1.00 0.00 H new ATOM 745 N GLY A 47 11.923 6.563 0.737 1.00 0.00 N ATOM 746 CA GLY A 47 11.111 7.603 1.380 1.00 0.00 C ATOM 747 C GLY A 47 9.994 7.023 2.244 1.00 0.00 C ATOM 748 O GLY A 47 9.697 7.554 3.312 1.00 0.00 O ATOM 0 H GLY A 47 11.761 6.483 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.754 8.231 1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.677 8.246 0.614 1.00 0.00 H new ATOM 752 N PHE A 48 9.397 5.905 1.805 1.00 0.00 N ATOM 753 CA PHE A 48 8.317 5.235 2.539 1.00 0.00 C ATOM 754 C PHE A 48 8.818 4.619 3.865 1.00 0.00 C ATOM 755 O PHE A 48 8.077 4.602 4.844 1.00 0.00 O ATOM 756 CB PHE A 48 7.613 4.206 1.624 1.00 0.00 C ATOM 757 CG PHE A 48 8.104 2.794 1.776 1.00 0.00 C ATOM 758 CD1 PHE A 48 9.392 2.424 1.357 1.00 0.00 C ATOM 759 CD2 PHE A 48 7.297 1.881 2.468 1.00 0.00 C ATOM 760 CE1 PHE A 48 9.894 1.161 1.704 1.00 0.00 C ATOM 761 CE2 PHE A 48 7.793 0.619 2.792 1.00 0.00 C ATOM 762 CZ PHE A 48 9.100 0.256 2.427 1.00 0.00 C ATOM 0 H PHE A 48 9.650 5.442 0.932 1.00 0.00 H new ATOM 0 HA PHE A 48 7.575 5.980 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.543 4.229 1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.744 4.513 0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.991 3.106 0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.291 2.155 2.750 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.896 0.883 1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.170 -0.083 3.326 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.492 -0.713 2.701 1.00 0.00 H new ATOM 772 N CYS A 49 10.090 4.190 3.931 1.00 0.00 N ATOM 773 CA CYS A 49 10.739 3.682 5.146 1.00 0.00 C ATOM 774 C CYS A 49 10.619 4.674 6.313 1.00 0.00 C ATOM 775 O CYS A 49 10.119 4.329 7.381 1.00 0.00 O ATOM 776 CB CYS A 49 12.218 3.374 4.842 1.00 0.00 C ATOM 777 SG CYS A 49 12.386 2.109 3.554 1.00 0.00 S ATOM 0 H CYS A 49 10.708 4.188 3.120 1.00 0.00 H new ATOM 0 HA CYS A 49 10.231 2.767 5.452 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.722 4.287 4.524 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.714 3.036 5.752 1.00 0.00 H new ATOM 0 HG CYS A 49 11.237 1.925 2.974 1.00 0.00 H new ATOM 783 N GLU A 50 11.011 5.930 6.082 1.00 0.00 N ATOM 784 CA GLU A 50 10.978 6.999 7.090 1.00 0.00 C ATOM 785 C GLU A 50 9.551 7.469 7.430 1.00 0.00 C ATOM 786 O GLU A 50 9.335 8.071 8.484 1.00 0.00 O ATOM 787 CB GLU A 50 11.813 8.195 6.606 1.00 0.00 C ATOM 788 CG GLU A 50 13.291 7.833 6.429 1.00 0.00 C ATOM 789 CD GLU A 50 14.142 9.091 6.199 1.00 0.00 C ATOM 790 OE1 GLU A 50 14.234 9.565 5.041 1.00 0.00 O ATOM 791 OE2 GLU A 50 14.729 9.616 7.175 1.00 0.00 O ATOM 0 H GLU A 50 11.366 6.240 5.177 1.00 0.00 H new ATOM 0 HA GLU A 50 11.401 6.582 8.004 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.413 8.556 5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.724 9.012 7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.648 7.305 7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.404 7.154 5.584 1.00 0.00 H new ATOM 798 N LEU A 51 8.577 7.183 6.554 1.00 0.00 N ATOM 799 CA LEU A 51 7.165 7.540 6.726 1.00 0.00 C ATOM 800 C LEU A 51 6.551 6.822 7.938 1.00 0.00 C ATOM 801 O LEU A 51 5.990 7.473 8.820 1.00 0.00 O ATOM 802 CB LEU A 51 6.413 7.210 5.415 1.00 0.00 C ATOM 803 CG LEU A 51 5.176 8.081 5.137 1.00 0.00 C ATOM 804 CD1 LEU A 51 5.617 9.534 4.898 1.00 0.00 C ATOM 805 CD2 LEU A 51 4.429 7.534 3.913 1.00 0.00 C ATOM 0 H LEU A 51 8.757 6.683 5.683 1.00 0.00 H new ATOM 0 HA LEU A 51 7.076 8.607 6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.106 7.314 4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.104 6.165 5.445 1.00 0.00 H new ATOM 0 HG LEU A 51 4.504 8.056 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.741 10.152 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.133 9.908 5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.290 9.574 4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.552 8.151 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.089 7.553 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.115 6.509 4.107 1.00 0.00 H new ATOM 817 N CYS A 52 6.688 5.490 7.992 1.00 0.00 N ATOM 818 CA CYS A 52 6.163 4.648 9.080 1.00 0.00 C ATOM 819 C CYS A 52 7.236 4.206 10.098 1.00 0.00 C ATOM 820 O CYS A 52 6.894 3.820 11.216 1.00 0.00 O ATOM 821 CB CYS A 52 5.446 3.437 8.458 1.00 0.00 C ATOM 822 SG CYS A 52 4.029 3.991 7.463 1.00 0.00 S ATOM 0 H CYS A 52 7.174 4.957 7.271 1.00 0.00 H new ATOM 0 HA CYS A 52 5.462 5.249 9.659 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.141 2.875 7.834 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.106 2.763 9.244 1.00 0.00 H new ATOM 0 HG CYS A 52 3.564 2.991 6.775 1.00 0.00 H new ATOM 828 N GLY A 53 8.521 4.263 9.734 1.00 0.00 N ATOM 829 CA GLY A 53 9.673 3.931 10.587 1.00 0.00 C ATOM 830 C GLY A 53 10.182 2.494 10.430 1.00 0.00 C ATOM 831 O GLY A 53 11.122 2.108 11.125 1.00 0.00 O ATOM 0 H GLY A 53 8.802 4.554 8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.488 4.619 10.361 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.398 4.094 11.629 1.00 0.00 H new ATOM 835 N TYR A 54 9.586 1.704 9.531 1.00 0.00 N ATOM 836 CA TYR A 54 10.076 0.387 9.122 1.00 0.00 C ATOM 837 C TYR A 54 11.152 0.454 8.016 1.00 0.00 C ATOM 838 O TYR A 54 11.559 1.537 7.596 1.00 0.00 O ATOM 839 CB TYR A 54 8.867 -0.489 8.752 1.00 0.00 C ATOM 840 CG TYR A 54 7.853 -0.028 7.719 1.00 0.00 C ATOM 841 CD1 TYR A 54 8.117 1.001 6.792 1.00 0.00 C ATOM 842 CD2 TYR A 54 6.612 -0.691 7.688 1.00 0.00 C ATOM 843 CE1 TYR A 54 7.121 1.400 5.884 1.00 0.00 C ATOM 844 CE2 TYR A 54 5.615 -0.305 6.772 1.00 0.00 C ATOM 845 CZ TYR A 54 5.866 0.752 5.868 1.00 0.00 C ATOM 846 OH TYR A 54 4.916 1.132 4.969 1.00 0.00 O ATOM 0 H TYR A 54 8.725 1.972 9.055 1.00 0.00 H new ATOM 0 HA TYR A 54 10.600 -0.075 9.959 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.260 -1.446 8.409 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.318 -0.682 9.674 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.084 1.482 6.780 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.423 -1.504 8.374 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.317 2.207 5.194 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.663 -0.814 6.760 1.00 0.00 H new ATOM 0 HH TYR A 54 5.299 1.128 4.067 1.00 0.00 H new ATOM 856 N SER A 55 11.593 -0.698 7.506 1.00 0.00 N ATOM 857 CA SER A 55 12.632 -0.772 6.460 1.00 0.00 C ATOM 858 C SER A 55 12.279 -1.807 5.383 1.00 0.00 C ATOM 859 O SER A 55 11.530 -2.752 5.651 1.00 0.00 O ATOM 860 CB SER A 55 13.989 -1.132 7.100 1.00 0.00 C ATOM 861 OG SER A 55 14.411 -0.135 8.024 1.00 0.00 O ATOM 0 H SER A 55 11.244 -1.609 7.802 1.00 0.00 H new ATOM 0 HA SER A 55 12.694 0.205 5.980 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.909 -2.092 7.610 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.741 -1.248 6.320 1.00 0.00 H new ATOM 0 HG SER A 55 15.273 -0.393 8.413 1.00 0.00 H new ATOM 867 N ARG A 56 12.886 -1.712 4.190 1.00 0.00 N ATOM 868 CA ARG A 56 12.780 -2.740 3.131 1.00 0.00 C ATOM 869 C ARG A 56 12.984 -4.164 3.685 1.00 0.00 C ATOM 870 O ARG A 56 12.184 -5.037 3.384 1.00 0.00 O ATOM 871 CB ARG A 56 13.751 -2.419 1.967 1.00 0.00 C ATOM 872 CG ARG A 56 13.684 -3.484 0.851 1.00 0.00 C ATOM 873 CD ARG A 56 14.674 -3.301 -0.305 1.00 0.00 C ATOM 874 NE ARG A 56 14.234 -2.311 -1.308 1.00 0.00 N ATOM 875 CZ ARG A 56 14.947 -1.965 -2.382 1.00 0.00 C ATOM 876 NH1 ARG A 56 16.077 -2.569 -2.693 1.00 0.00 N ATOM 877 NH2 ARG A 56 14.545 -1.004 -3.180 1.00 0.00 N ATOM 0 H ARG A 56 13.469 -0.917 3.927 1.00 0.00 H new ATOM 0 HA ARG A 56 11.765 -2.713 2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.508 -1.441 1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.770 -2.358 2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.854 -4.463 1.298 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.674 -3.491 0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.638 -2.993 0.099 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.827 -4.261 -0.797 1.00 0.00 H new ATOM 0 HE ARG A 56 13.328 -1.863 -1.172 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.430 -3.325 -2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.598 -2.281 -3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.675 -0.509 -2.984 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.102 -0.752 -3.996 1.00 0.00 H new ATOM 891 N ALA A 57 13.952 -4.387 4.577 1.00 0.00 N ATOM 892 CA ALA A 57 14.234 -5.687 5.206 1.00 0.00 C ATOM 893 C ALA A 57 13.017 -6.303 5.926 1.00 0.00 C ATOM 894 O ALA A 57 12.866 -7.525 5.936 1.00 0.00 O ATOM 895 CB ALA A 57 15.401 -5.482 6.181 1.00 0.00 C ATOM 0 H ALA A 57 14.581 -3.649 4.893 1.00 0.00 H new ATOM 0 HA ALA A 57 14.489 -6.403 4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.639 -6.428 6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 57 16.274 -5.126 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 57 15.120 -4.747 6.935 1.00 0.00 H new ATOM 901 N GLU A 58 12.144 -5.461 6.498 1.00 0.00 N ATOM 902 CA GLU A 58 10.906 -5.882 7.166 1.00 0.00 C ATOM 903 C GLU A 58 9.636 -5.733 6.300 1.00 0.00 C ATOM 904 O GLU A 58 8.676 -6.465 6.538 1.00 0.00 O ATOM 905 CB GLU A 58 10.791 -5.194 8.532 1.00 0.00 C ATOM 906 CG GLU A 58 10.763 -3.688 8.513 1.00 0.00 C ATOM 907 CD GLU A 58 10.565 -3.140 9.938 1.00 0.00 C ATOM 908 OE1 GLU A 58 9.468 -3.308 10.521 1.00 0.00 O ATOM 909 OE2 GLU A 58 11.507 -2.505 10.462 1.00 0.00 O ATOM 0 H GLU A 58 12.282 -4.450 6.509 1.00 0.00 H new ATOM 0 HA GLU A 58 10.976 -6.958 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.883 -5.548 9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.630 -5.514 9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.694 -3.305 8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.957 -3.340 7.867 1.00 0.00 H new ATOM 916 N VAL A 59 9.627 -4.851 5.289 1.00 0.00 N ATOM 917 CA VAL A 59 8.504 -4.667 4.333 1.00 0.00 C ATOM 918 C VAL A 59 8.564 -5.659 3.143 1.00 0.00 C ATOM 919 O VAL A 59 7.542 -5.939 2.516 1.00 0.00 O ATOM 920 CB VAL A 59 8.414 -3.184 3.863 1.00 0.00 C ATOM 921 CG1 VAL A 59 7.337 -2.995 2.777 1.00 0.00 C ATOM 922 CG2 VAL A 59 8.113 -2.293 5.080 1.00 0.00 C ATOM 0 H VAL A 59 10.413 -4.228 5.102 1.00 0.00 H new ATOM 0 HA VAL A 59 7.583 -4.902 4.866 1.00 0.00 H new ATOM 0 HB VAL A 59 9.368 -2.899 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.304 -1.948 2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.579 -3.614 1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.365 -3.289 3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.048 -1.252 4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.166 -2.596 5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.911 -2.399 5.815 1.00 0.00 H new ATOM 932 N MET A 60 9.726 -6.248 2.841 1.00 0.00 N ATOM 933 CA MET A 60 9.896 -7.274 1.803 1.00 0.00 C ATOM 934 C MET A 60 9.092 -8.531 2.143 1.00 0.00 C ATOM 935 O MET A 60 9.052 -8.954 3.299 1.00 0.00 O ATOM 936 CB MET A 60 11.388 -7.611 1.642 1.00 0.00 C ATOM 937 CG MET A 60 12.075 -6.583 0.738 1.00 0.00 C ATOM 938 SD MET A 60 11.775 -6.770 -1.042 1.00 0.00 S ATOM 939 CE MET A 60 12.787 -8.234 -1.378 1.00 0.00 C ATOM 0 H MET A 60 10.596 -6.020 3.322 1.00 0.00 H new ATOM 0 HA MET A 60 9.519 -6.882 0.859 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.871 -7.626 2.619 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.498 -8.609 1.217 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.750 -5.587 1.039 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.150 -6.634 0.913 1.00 0.00 H new ATOM 0 HE1 MET A 60 12.861 -8.386 -2.455 1.00 0.00 H new ATOM 0 HE2 MET A 60 13.784 -8.090 -0.962 1.00 0.00 H new ATOM 0 HE3 MET A 60 12.325 -9.109 -0.920 1.00 0.00 H new ATOM 949 N GLN A 61 8.440 -9.108 1.124 1.00 0.00 N ATOM 950 CA GLN A 61 7.621 -10.332 1.216 1.00 0.00 C ATOM 951 C GLN A 61 6.322 -10.162 2.037 1.00 0.00 C ATOM 952 O GLN A 61 5.623 -11.139 2.312 1.00 0.00 O ATOM 953 CB GLN A 61 8.479 -11.524 1.682 1.00 0.00 C ATOM 954 CG GLN A 61 9.658 -11.786 0.728 1.00 0.00 C ATOM 955 CD GLN A 61 10.106 -13.244 0.781 1.00 0.00 C ATOM 956 OE1 GLN A 61 11.095 -13.608 1.408 1.00 0.00 O ATOM 957 NE2 GLN A 61 9.376 -14.136 0.141 1.00 0.00 N ATOM 0 H GLN A 61 8.467 -8.725 0.179 1.00 0.00 H new ATOM 0 HA GLN A 61 7.266 -10.549 0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.859 -11.328 2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.857 -12.417 1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.367 -11.530 -0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.493 -11.138 0.993 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.552 -13.840 -0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.635 -15.122 0.169 1.00 0.00 H new ATOM 966 N ARG A 62 5.969 -8.919 2.393 1.00 0.00 N ATOM 967 CA ARG A 62 4.709 -8.566 3.068 1.00 0.00 C ATOM 968 C ARG A 62 3.578 -8.361 2.052 1.00 0.00 C ATOM 969 O ARG A 62 3.871 -7.990 0.906 1.00 0.00 O ATOM 970 CB ARG A 62 4.865 -7.273 3.896 1.00 0.00 C ATOM 971 CG ARG A 62 5.891 -7.362 5.027 1.00 0.00 C ATOM 972 CD ARG A 62 5.563 -8.389 6.115 1.00 0.00 C ATOM 973 NE ARG A 62 6.696 -8.483 7.048 1.00 0.00 N ATOM 974 CZ ARG A 62 6.896 -9.395 7.990 1.00 0.00 C ATOM 975 NH1 ARG A 62 6.025 -10.351 8.242 1.00 0.00 N ATOM 976 NH2 ARG A 62 8.001 -9.350 8.700 1.00 0.00 N ATOM 0 H ARG A 62 6.565 -8.110 2.216 1.00 0.00 H new ATOM 0 HA ARG A 62 4.460 -9.395 3.730 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.150 -6.461 3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.896 -7.010 4.321 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.863 -7.606 4.598 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.985 -6.380 5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.660 -8.095 6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.365 -9.362 5.666 1.00 0.00 H new ATOM 0 HE ARG A 62 7.412 -7.762 6.960 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.160 -10.408 7.704 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.215 -11.034 8.975 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.691 -8.620 8.523 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.168 -10.045 9.428 1.00 0.00 H new ATOM 990 N PRO A 63 2.307 -8.512 2.472 1.00 0.00 N ATOM 991 CA PRO A 63 1.167 -8.085 1.679 1.00 0.00 C ATOM 992 C PRO A 63 1.161 -6.560 1.578 1.00 0.00 C ATOM 993 O PRO A 63 1.221 -5.846 2.580 1.00 0.00 O ATOM 994 CB PRO A 63 -0.073 -8.633 2.388 1.00 0.00 C ATOM 995 CG PRO A 63 0.359 -8.802 3.841 1.00 0.00 C ATOM 996 CD PRO A 63 1.869 -9.029 3.768 1.00 0.00 C ATOM 0 HA PRO A 63 1.199 -8.460 0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.915 -7.946 2.302 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.390 -9.582 1.956 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.119 -7.918 4.432 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.147 -9.646 4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.378 -8.514 4.583 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.107 -10.089 3.863 1.00 0.00 H new ATOM 1004 N CYS A 64 1.089 -6.062 0.344 1.00 0.00 N ATOM 1005 CA CYS A 64 1.231 -4.643 0.012 1.00 0.00 C ATOM 1006 C CYS A 64 0.053 -3.765 0.485 1.00 0.00 C ATOM 1007 O CYS A 64 0.138 -2.537 0.445 1.00 0.00 O ATOM 1008 CB CYS A 64 1.438 -4.594 -1.503 1.00 0.00 C ATOM 1009 SG CYS A 64 2.100 -2.991 -1.980 1.00 0.00 S ATOM 0 H CYS A 64 0.926 -6.649 -0.474 1.00 0.00 H new ATOM 0 HA CYS A 64 2.078 -4.213 0.546 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.121 -5.385 -1.811 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.492 -4.773 -2.014 1.00 0.00 H new ATOM 0 HG CYS A 64 3.335 -3.128 -2.361 1.00 0.00 H new ATOM 1015 N THR A 65 -1.032 -4.388 0.968 1.00 0.00 N ATOM 1016 CA THR A 65 -2.150 -3.721 1.655 1.00 0.00 C ATOM 1017 C THR A 65 -1.696 -2.987 2.917 1.00 0.00 C ATOM 1018 O THR A 65 -2.338 -2.005 3.293 1.00 0.00 O ATOM 1019 CB THR A 65 -3.229 -4.739 2.041 1.00 0.00 C ATOM 1020 OG1 THR A 65 -2.616 -5.783 2.767 1.00 0.00 O ATOM 1021 CG2 THR A 65 -3.924 -5.337 0.817 1.00 0.00 C ATOM 0 H THR A 65 -1.160 -5.397 0.890 1.00 0.00 H new ATOM 0 HA THR A 65 -2.554 -2.990 0.955 1.00 0.00 H new ATOM 0 HB THR A 65 -3.984 -4.224 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.293 -6.444 3.024 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.680 -6.052 1.141 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.400 -4.541 0.244 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.189 -5.844 0.193 1.00 0.00 H new ATOM 1029 N CYS A 66 -0.614 -3.456 3.561 1.00 0.00 N ATOM 1030 CA CYS A 66 -0.067 -2.907 4.811 1.00 0.00 C ATOM 1031 C CYS A 66 -1.132 -2.782 5.925 1.00 0.00 C ATOM 1032 O CYS A 66 -1.105 -1.848 6.728 1.00 0.00 O ATOM 1033 CB CYS A 66 0.694 -1.602 4.510 1.00 0.00 C ATOM 1034 SG CYS A 66 2.134 -1.935 3.449 1.00 0.00 S ATOM 0 H CYS A 66 -0.080 -4.253 3.214 1.00 0.00 H new ATOM 0 HA CYS A 66 0.654 -3.613 5.224 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.029 -0.891 4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.020 -1.141 5.442 1.00 0.00 H new ATOM 0 HG CYS A 66 2.760 -0.822 3.205 1.00 0.00 H new ATOM 1040 N ASP A 67 -2.067 -3.742 5.990 1.00 0.00 N ATOM 1041 CA ASP A 67 -3.187 -3.754 6.942 1.00 0.00 C ATOM 1042 C ASP A 67 -2.712 -3.707 8.403 1.00 0.00 C ATOM 1043 O ASP A 67 -3.376 -3.114 9.255 1.00 0.00 O ATOM 1044 CB ASP A 67 -4.030 -5.012 6.688 1.00 0.00 C ATOM 1045 CG ASP A 67 -5.230 -5.103 7.647 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -6.267 -4.456 7.372 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -5.135 -5.831 8.664 1.00 0.00 O ATOM 0 H ASP A 67 -2.065 -4.550 5.367 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.787 -2.857 6.784 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.388 -5.007 5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.405 -5.897 6.804 1.00 0.00 H new ATOM 1052 N PHE A 68 -1.528 -4.262 8.679 1.00 0.00 N ATOM 1053 CA PHE A 68 -0.871 -4.239 9.984 1.00 0.00 C ATOM 1054 C PHE A 68 -0.589 -2.819 10.527 1.00 0.00 C ATOM 1055 O PHE A 68 -0.319 -2.674 11.720 1.00 0.00 O ATOM 1056 CB PHE A 68 0.412 -5.087 9.906 1.00 0.00 C ATOM 1057 CG PHE A 68 1.431 -4.642 8.869 1.00 0.00 C ATOM 1058 CD1 PHE A 68 2.333 -3.600 9.164 1.00 0.00 C ATOM 1059 CD2 PHE A 68 1.500 -5.286 7.617 1.00 0.00 C ATOM 1060 CE1 PHE A 68 3.289 -3.201 8.213 1.00 0.00 C ATOM 1061 CE2 PHE A 68 2.459 -4.889 6.668 1.00 0.00 C ATOM 1062 CZ PHE A 68 3.353 -3.844 6.963 1.00 0.00 C ATOM 0 H PHE A 68 -0.983 -4.757 7.973 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.563 -4.669 10.708 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.890 -5.081 10.885 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.132 -6.119 9.695 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.290 -3.106 10.124 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.814 -6.087 7.386 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.975 -2.399 8.442 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.509 -5.387 5.711 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.086 -3.536 6.232 1.00 0.00 H new ATOM 1072 N LEU A 69 -0.680 -1.774 9.690 1.00 0.00 N ATOM 1073 CA LEU A 69 -0.564 -0.370 10.107 1.00 0.00 C ATOM 1074 C LEU A 69 -1.840 0.205 10.758 1.00 0.00 C ATOM 1075 O LEU A 69 -1.814 1.353 11.201 1.00 0.00 O ATOM 1076 CB LEU A 69 -0.127 0.501 8.914 1.00 0.00 C ATOM 1077 CG LEU A 69 1.240 0.141 8.298 1.00 0.00 C ATOM 1078 CD1 LEU A 69 1.516 1.085 7.122 1.00 0.00 C ATOM 1079 CD2 LEU A 69 2.392 0.249 9.312 1.00 0.00 C ATOM 0 H LEU A 69 -0.839 -1.884 8.688 1.00 0.00 H new ATOM 0 HA LEU A 69 0.198 -0.348 10.886 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.887 0.430 8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.098 1.542 9.237 1.00 0.00 H new ATOM 0 HG LEU A 69 1.192 -0.897 7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.481 0.840 6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.732 0.972 6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.531 2.115 7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.331 -0.015 8.825 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.452 1.271 9.687 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.210 -0.432 10.143 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.951 -0.536 10.826 1.00 0.00 N ATOM 1092 CA HIS A 70 -4.178 -0.058 11.467 1.00 0.00 C ATOM 1093 C HIS A 70 -4.021 0.279 12.972 1.00 0.00 C ATOM 1094 O HIS A 70 -3.226 -0.328 13.701 1.00 0.00 O ATOM 1095 CB HIS A 70 -5.332 -1.053 11.231 1.00 0.00 C ATOM 1096 CG HIS A 70 -5.280 -2.327 12.043 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -4.854 -3.560 11.605 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -5.731 -2.497 13.327 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -5.025 -4.445 12.600 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -5.562 -3.844 13.680 1.00 0.00 N ATOM 0 H HIS A 70 -3.024 -1.478 10.441 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.418 0.892 10.989 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.273 -0.546 11.445 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.347 -1.319 10.174 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -4.473 -3.766 10.682 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.146 -1.725 13.959 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.768 -5.492 12.543 1.00 0.00 H new ATOM 1108 N GLY A 71 -4.832 1.236 13.439 1.00 0.00 N ATOM 1109 CA GLY A 71 -4.987 1.646 14.839 1.00 0.00 C ATOM 1110 C GLY A 71 -6.443 2.005 15.188 1.00 0.00 C ATOM 1111 O GLY A 71 -7.351 1.659 14.425 1.00 0.00 O ATOM 0 H GLY A 71 -5.431 1.775 12.814 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.648 0.840 15.490 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.347 2.506 15.036 1.00 0.00 H new ATOM 1115 N PRO A 72 -6.690 2.723 16.305 1.00 0.00 N ATOM 1116 CA PRO A 72 -8.040 3.089 16.755 1.00 0.00 C ATOM 1117 C PRO A 72 -8.729 4.155 15.879 1.00 0.00 C ATOM 1118 O PRO A 72 -9.918 4.410 16.067 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.855 3.573 18.199 1.00 0.00 C ATOM 1120 CG PRO A 72 -6.440 4.143 18.203 1.00 0.00 C ATOM 1121 CD PRO A 72 -5.695 3.200 17.259 1.00 0.00 C ATOM 0 HA PRO A 72 -8.710 2.233 16.679 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.593 4.329 18.467 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.961 2.756 18.913 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.417 5.173 17.847 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.006 4.141 19.203 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.882 3.718 16.750 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.250 2.370 17.807 1.00 0.00 H new ATOM 1129 N ARG A 73 -8.009 4.775 14.929 1.00 0.00 N ATOM 1130 CA ARG A 73 -8.547 5.741 13.955 1.00 0.00 C ATOM 1131 C ARG A 73 -8.651 5.178 12.522 1.00 0.00 C ATOM 1132 O ARG A 73 -8.929 5.941 11.592 1.00 0.00 O ATOM 1133 CB ARG A 73 -7.699 7.031 14.010 1.00 0.00 C ATOM 1134 CG ARG A 73 -7.766 7.748 15.372 1.00 0.00 C ATOM 1135 CD ARG A 73 -9.153 8.343 15.662 1.00 0.00 C ATOM 1136 NE ARG A 73 -9.238 8.857 17.042 1.00 0.00 N ATOM 1137 CZ ARG A 73 -9.689 8.206 18.111 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -10.102 6.954 18.056 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -9.734 8.821 19.273 1.00 0.00 N ATOM 0 H ARG A 73 -7.008 4.614 14.814 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.576 5.966 14.237 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.661 6.784 13.788 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.038 7.714 13.231 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.505 7.044 16.162 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.022 8.544 15.396 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.360 9.149 14.958 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.917 7.581 15.508 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.917 9.813 17.193 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.083 6.449 17.170 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.441 6.491 18.900 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.424 9.790 19.350 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.078 8.329 20.097 1.00 0.00 H new ATOM 1153 N THR A 74 -8.418 3.871 12.318 1.00 0.00 N ATOM 1154 CA THR A 74 -8.521 3.187 11.010 1.00 0.00 C ATOM 1155 C THR A 74 -9.943 2.661 10.811 1.00 0.00 C ATOM 1156 O THR A 74 -10.504 2.033 11.709 1.00 0.00 O ATOM 1157 CB THR A 74 -7.499 2.048 10.905 1.00 0.00 C ATOM 1158 OG1 THR A 74 -6.236 2.549 11.266 1.00 0.00 O ATOM 1159 CG2 THR A 74 -7.397 1.497 9.485 1.00 0.00 C ATOM 0 H THR A 74 -8.146 3.242 13.074 1.00 0.00 H new ATOM 0 HA THR A 74 -8.298 3.905 10.221 1.00 0.00 H new ATOM 0 HB THR A 74 -7.825 1.244 11.564 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.793 2.921 10.475 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.662 0.693 9.459 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.368 1.111 9.174 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.089 2.293 8.807 1.00 0.00 H new ATOM 1167 N GLN A 75 -10.518 2.903 9.629 1.00 0.00 N ATOM 1168 CA GLN A 75 -11.882 2.488 9.271 1.00 0.00 C ATOM 1169 C GLN A 75 -11.830 1.248 8.369 1.00 0.00 C ATOM 1170 O GLN A 75 -11.041 1.188 7.421 1.00 0.00 O ATOM 1171 CB GLN A 75 -12.620 3.648 8.563 1.00 0.00 C ATOM 1172 CG GLN A 75 -13.180 4.723 9.517 1.00 0.00 C ATOM 1173 CD GLN A 75 -12.126 5.386 10.407 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -12.082 5.187 11.616 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -11.213 6.160 9.854 1.00 0.00 N ATOM 0 H GLN A 75 -10.041 3.402 8.878 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.430 2.234 10.178 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.935 4.124 7.861 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.442 3.236 7.977 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.676 5.493 8.926 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.941 4.268 10.152 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.234 6.336 8.850 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.485 6.582 10.431 1.00 0.00 H new ATOM 1184 N ARG A 76 -12.718 0.274 8.624 1.00 0.00 N ATOM 1185 CA ARG A 76 -12.769 -1.006 7.895 1.00 0.00 C ATOM 1186 C ARG A 76 -12.988 -0.807 6.387 1.00 0.00 C ATOM 1187 O ARG A 76 -12.354 -1.480 5.575 1.00 0.00 O ATOM 1188 CB ARG A 76 -13.872 -1.909 8.487 1.00 0.00 C ATOM 1189 CG ARG A 76 -13.760 -2.183 9.998 1.00 0.00 C ATOM 1190 CD ARG A 76 -12.468 -2.907 10.404 1.00 0.00 C ATOM 1191 NE ARG A 76 -12.420 -3.137 11.862 1.00 0.00 N ATOM 1192 CZ ARG A 76 -13.007 -4.117 12.544 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -13.731 -5.049 11.959 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -12.871 -4.169 13.852 1.00 0.00 N ATOM 0 H ARG A 76 -13.430 0.353 9.350 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.801 -1.492 8.016 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.840 -1.449 8.289 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.859 -2.863 7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.818 -1.236 10.535 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.615 -2.781 10.313 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.403 -3.861 9.880 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.605 -2.316 10.098 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.875 -2.469 12.408 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.858 -5.036 10.947 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.165 -5.784 12.518 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.319 -3.461 14.336 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.318 -4.917 14.382 1.00 0.00 H new ATOM 1208 N ARG A 77 -13.819 0.175 6.004 1.00 0.00 N ATOM 1209 CA ARG A 77 -14.087 0.542 4.602 1.00 0.00 C ATOM 1210 C ARG A 77 -12.817 0.972 3.862 1.00 0.00 C ATOM 1211 O ARG A 77 -12.577 0.516 2.751 1.00 0.00 O ATOM 1212 CB ARG A 77 -15.165 1.646 4.568 1.00 0.00 C ATOM 1213 CG ARG A 77 -15.609 2.082 3.159 1.00 0.00 C ATOM 1214 CD ARG A 77 -16.149 0.938 2.289 1.00 0.00 C ATOM 1215 NE ARG A 77 -16.626 1.442 0.989 1.00 0.00 N ATOM 1216 CZ ARG A 77 -17.068 0.709 -0.029 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -17.114 -0.607 0.023 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -17.478 1.300 -1.130 1.00 0.00 N ATOM 0 H ARG A 77 -14.334 0.748 6.672 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.456 -0.339 4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.040 1.295 5.115 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.786 2.519 5.099 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.380 2.847 3.253 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -14.763 2.543 2.650 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -15.366 0.196 2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.964 0.435 2.809 1.00 0.00 H new ATOM 0 HE ARG A 77 -16.616 2.453 0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -16.805 -1.095 0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -17.459 -1.137 -0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -17.456 2.317 -1.201 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -17.818 0.741 -1.913 1.00 0.00 H new ATOM 1232 N ALA A 78 -11.965 1.790 4.475 1.00 0.00 N ATOM 1233 CA ALA A 78 -10.704 2.232 3.866 1.00 0.00 C ATOM 1234 C ALA A 78 -9.700 1.075 3.705 1.00 0.00 C ATOM 1235 O ALA A 78 -9.152 0.878 2.620 1.00 0.00 O ATOM 1236 CB ALA A 78 -10.148 3.367 4.728 1.00 0.00 C ATOM 0 H ALA A 78 -12.126 2.168 5.409 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.885 2.592 2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.208 3.720 4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.865 4.188 4.756 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.974 3.003 5.741 1.00 0.00 H new ATOM 1242 N ALA A 79 -9.520 0.250 4.742 1.00 0.00 N ATOM 1243 CA ALA A 79 -8.682 -0.957 4.676 1.00 0.00 C ATOM 1244 C ALA A 79 -9.134 -1.931 3.566 1.00 0.00 C ATOM 1245 O ALA A 79 -8.307 -2.531 2.878 1.00 0.00 O ATOM 1246 CB ALA A 79 -8.700 -1.618 6.061 1.00 0.00 C ATOM 0 H ALA A 79 -9.952 0.399 5.654 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.663 -0.676 4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.085 -2.518 6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.303 -0.923 6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.724 -1.883 6.324 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.450 -2.021 3.343 1.00 0.00 N ATOM 1253 CA ALA A 80 -11.073 -2.805 2.275 1.00 0.00 C ATOM 1254 C ALA A 80 -10.863 -2.180 0.896 1.00 0.00 C ATOM 1255 O ALA A 80 -10.530 -2.881 -0.052 1.00 0.00 O ATOM 1256 CB ALA A 80 -12.573 -2.891 2.567 1.00 0.00 C ATOM 0 H ALA A 80 -11.133 -1.532 3.922 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.610 -3.791 2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.063 -3.471 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.729 -3.376 3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.997 -1.887 2.594 1.00 0.00 H new ATOM 1262 N GLN A 81 -11.048 -0.865 0.773 1.00 0.00 N ATOM 1263 CA GLN A 81 -10.904 -0.134 -0.486 1.00 0.00 C ATOM 1264 C GLN A 81 -9.475 -0.257 -1.041 1.00 0.00 C ATOM 1265 O GLN A 81 -9.318 -0.401 -2.251 1.00 0.00 O ATOM 1266 CB GLN A 81 -11.327 1.327 -0.261 1.00 0.00 C ATOM 1267 CG GLN A 81 -12.844 1.515 -0.072 1.00 0.00 C ATOM 1268 CD GLN A 81 -13.515 2.118 -1.303 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -14.002 1.425 -2.187 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -13.541 3.431 -1.412 1.00 0.00 N ATOM 0 H GLN A 81 -11.306 -0.268 1.559 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.556 -0.569 -1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.811 1.713 0.618 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.000 1.925 -1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.301 0.551 0.152 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.023 2.160 0.788 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.136 4.012 -0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.966 3.866 -2.231 1.00 0.00 H new ATOM 1279 N ILE A 82 -8.434 -0.304 -0.194 1.00 0.00 N ATOM 1280 CA ILE A 82 -7.069 -0.650 -0.651 1.00 0.00 C ATOM 1281 C ILE A 82 -7.011 -2.057 -1.263 1.00 0.00 C ATOM 1282 O ILE A 82 -6.398 -2.228 -2.311 1.00 0.00 O ATOM 1283 CB ILE A 82 -6.047 -0.459 0.496 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -5.932 1.049 0.803 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -4.658 -1.024 0.136 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -5.206 1.368 2.107 1.00 0.00 C ATOM 0 H ILE A 82 -8.505 -0.109 0.805 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.794 0.037 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.402 -1.008 1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.409 1.537 -0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.933 1.478 0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.974 -0.867 0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.741 -2.091 -0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.275 -0.513 -0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.168 2.448 2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.739 0.912 2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.191 0.972 2.065 1.00 0.00 H new ATOM 1298 N ALA A 83 -7.679 -3.057 -0.681 1.00 0.00 N ATOM 1299 CA ALA A 83 -7.758 -4.400 -1.268 1.00 0.00 C ATOM 1300 C ALA A 83 -8.621 -4.444 -2.548 1.00 0.00 C ATOM 1301 O ALA A 83 -8.307 -5.196 -3.471 1.00 0.00 O ATOM 1302 CB ALA A 83 -8.261 -5.374 -0.194 1.00 0.00 C ATOM 0 H ALA A 83 -8.177 -2.961 0.204 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.762 -4.701 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.325 -6.378 -0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.568 -5.377 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.247 -5.060 0.149 1.00 0.00 H new ATOM 1308 N GLN A 84 -9.665 -3.608 -2.650 1.00 0.00 N ATOM 1309 CA GLN A 84 -10.438 -3.438 -3.890 1.00 0.00 C ATOM 1310 C GLN A 84 -9.569 -2.842 -5.011 1.00 0.00 C ATOM 1311 O GLN A 84 -9.672 -3.278 -6.156 1.00 0.00 O ATOM 1312 CB GLN A 84 -11.691 -2.566 -3.673 1.00 0.00 C ATOM 1313 CG GLN A 84 -12.747 -3.142 -2.710 1.00 0.00 C ATOM 1314 CD GLN A 84 -13.272 -4.516 -3.136 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -14.037 -4.654 -4.083 1.00 0.00 O ATOM 1316 NE2 GLN A 84 -12.870 -5.585 -2.475 1.00 0.00 N ATOM 0 H GLN A 84 -9.997 -3.032 -1.877 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.768 -4.432 -4.193 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -11.374 -1.594 -3.296 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -12.163 -2.394 -4.640 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.315 -3.220 -1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.584 -2.447 -2.642 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.233 -5.486 -1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.196 -6.510 -2.755 1.00 0.00 H new ATOM 1325 N ALA A 85 -8.659 -1.911 -4.695 1.00 0.00 N ATOM 1326 CA ALA A 85 -7.740 -1.322 -5.673 1.00 0.00 C ATOM 1327 C ALA A 85 -6.805 -2.361 -6.334 1.00 0.00 C ATOM 1328 O ALA A 85 -6.323 -2.130 -7.444 1.00 0.00 O ATOM 1329 CB ALA A 85 -6.943 -0.210 -4.984 1.00 0.00 C ATOM 0 H ALA A 85 -8.541 -1.545 -3.750 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.331 -0.909 -6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.253 0.240 -5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.628 0.552 -4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.380 -0.629 -4.150 1.00 0.00 H new ATOM 1335 N LEU A 86 -6.570 -3.506 -5.677 1.00 0.00 N ATOM 1336 CA LEU A 86 -5.733 -4.613 -6.165 1.00 0.00 C ATOM 1337 C LEU A 86 -6.489 -5.636 -7.035 1.00 0.00 C ATOM 1338 O LEU A 86 -5.849 -6.442 -7.711 1.00 0.00 O ATOM 1339 CB LEU A 86 -5.095 -5.331 -4.963 1.00 0.00 C ATOM 1340 CG LEU A 86 -4.286 -4.428 -4.015 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -3.796 -5.261 -2.828 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -3.104 -3.747 -4.715 1.00 0.00 C ATOM 0 H LEU A 86 -6.972 -3.694 -4.758 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.975 -4.169 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.884 -5.818 -4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.440 -6.118 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.943 -3.630 -3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.222 -4.628 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.652 -5.676 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.164 -6.073 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.568 -3.122 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.429 -4.506 -5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.473 -3.128 -5.533 1.00 0.00 H new ATOM 1354 N LEU A 87 -7.829 -5.615 -7.039 1.00 0.00 N ATOM 1355 CA LEU A 87 -8.646 -6.375 -8.008 1.00 0.00 C ATOM 1356 C LEU A 87 -9.183 -5.504 -9.161 1.00 0.00 C ATOM 1357 O LEU A 87 -9.723 -6.037 -10.133 1.00 0.00 O ATOM 1358 CB LEU A 87 -9.720 -7.217 -7.284 1.00 0.00 C ATOM 1359 CG LEU A 87 -10.782 -6.491 -6.436 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -11.790 -5.673 -7.260 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -11.561 -7.529 -5.615 1.00 0.00 C ATOM 0 H LEU A 87 -8.381 -5.073 -6.374 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.991 -7.088 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.244 -7.804 -8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.204 -7.923 -6.633 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.240 -5.787 -5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.503 -5.193 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.260 -4.911 -7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.322 -6.334 -7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.315 -7.024 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.048 -8.234 -6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.874 -8.066 -4.962 1.00 0.00 H new ATOM 1373 N GLY A 88 -9.008 -4.180 -9.077 1.00 0.00 N ATOM 1374 CA GLY A 88 -9.372 -3.211 -10.118 1.00 0.00 C ATOM 1375 C GLY A 88 -8.262 -3.029 -11.158 1.00 0.00 C ATOM 1376 O GLY A 88 -7.076 -3.058 -10.828 1.00 0.00 O ATOM 0 H GLY A 88 -8.595 -3.739 -8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.283 -3.542 -10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.594 -2.250 -9.655 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.652 -2.790 -12.415 1.00 0.00 N ATOM 1381 CA ALA A 89 -7.738 -2.524 -13.536 1.00 0.00 C ATOM 1382 C ALA A 89 -7.477 -1.017 -13.779 1.00 0.00 C ATOM 1383 O ALA A 89 -6.756 -0.663 -14.712 1.00 0.00 O ATOM 1384 CB ALA A 89 -8.327 -3.212 -14.777 1.00 0.00 C ATOM 0 H ALA A 89 -9.634 -2.775 -12.689 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.754 -2.929 -13.298 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.676 -3.037 -15.633 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.408 -4.284 -14.595 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.316 -2.804 -14.984 1.00 0.00 H new ATOM 1390 N GLU A 90 -8.064 -0.139 -12.959 1.00 0.00 N ATOM 1391 CA GLU A 90 -7.964 1.327 -13.044 1.00 0.00 C ATOM 1392 C GLU A 90 -7.335 1.927 -11.773 1.00 0.00 C ATOM 1393 O GLU A 90 -7.312 1.299 -10.711 1.00 0.00 O ATOM 1394 CB GLU A 90 -9.364 1.929 -13.309 1.00 0.00 C ATOM 1395 CG GLU A 90 -9.431 2.790 -14.579 1.00 0.00 C ATOM 1396 CD GLU A 90 -8.738 4.150 -14.415 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -7.487 4.205 -14.448 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -9.441 5.175 -14.256 1.00 0.00 O ATOM 0 H GLU A 90 -8.650 -0.442 -12.181 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.305 1.580 -13.875 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.089 1.119 -13.390 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.658 2.536 -12.452 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.968 2.249 -15.404 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.475 2.950 -14.849 1.00 0.00 H new ATOM 1405 N GLU A 91 -6.820 3.151 -11.888 1.00 0.00 N ATOM 1406 CA GLU A 91 -6.200 3.915 -10.800 1.00 0.00 C ATOM 1407 C GLU A 91 -7.199 4.212 -9.662 1.00 0.00 C ATOM 1408 O GLU A 91 -8.333 4.634 -9.914 1.00 0.00 O ATOM 1409 CB GLU A 91 -5.620 5.211 -11.389 1.00 0.00 C ATOM 1410 CG GLU A 91 -4.773 6.017 -10.400 1.00 0.00 C ATOM 1411 CD GLU A 91 -4.290 7.321 -11.054 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -3.292 7.295 -11.814 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -4.924 8.383 -10.840 1.00 0.00 O ATOM 0 H GLU A 91 -6.822 3.658 -12.773 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.402 3.322 -10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.009 4.963 -12.257 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.440 5.836 -11.744 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.359 6.244 -9.509 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.917 5.425 -10.077 1.00 0.00 H new ATOM 1420 N ARG A 92 -6.762 4.020 -8.406 1.00 0.00 N ATOM 1421 CA ARG A 92 -7.574 4.241 -7.197 1.00 0.00 C ATOM 1422 C ARG A 92 -6.783 4.917 -6.079 1.00 0.00 C ATOM 1423 O ARG A 92 -5.749 4.411 -5.642 1.00 0.00 O ATOM 1424 CB ARG A 92 -8.132 2.897 -6.676 1.00 0.00 C ATOM 1425 CG ARG A 92 -9.412 2.409 -7.368 1.00 0.00 C ATOM 1426 CD ARG A 92 -10.602 3.355 -7.137 1.00 0.00 C ATOM 1427 NE ARG A 92 -11.862 2.761 -7.620 1.00 0.00 N ATOM 1428 CZ ARG A 92 -13.048 3.359 -7.668 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -13.230 4.596 -7.252 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -14.087 2.708 -8.146 1.00 0.00 N ATOM 0 H ARG A 92 -5.816 3.701 -8.198 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.389 4.905 -7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.362 2.134 -6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.329 2.993 -5.608 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.229 2.314 -8.438 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.665 1.415 -6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.688 3.581 -6.074 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.423 4.300 -7.650 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.819 1.797 -7.950 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.445 5.129 -6.877 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.156 5.021 -7.305 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.980 1.749 -8.477 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.999 3.162 -8.185 1.00 0.00 H new ATOM 1444 N LYS A 93 -7.335 6.011 -5.546 1.00 0.00 N ATOM 1445 CA LYS A 93 -6.900 6.668 -4.309 1.00 0.00 C ATOM 1446 C LYS A 93 -7.833 6.289 -3.140 1.00 0.00 C ATOM 1447 O LYS A 93 -9.055 6.351 -3.275 1.00 0.00 O ATOM 1448 CB LYS A 93 -6.853 8.194 -4.521 1.00 0.00 C ATOM 1449 CG LYS A 93 -6.025 8.587 -5.759 1.00 0.00 C ATOM 1450 CD LYS A 93 -5.631 10.069 -5.818 1.00 0.00 C ATOM 1451 CE LYS A 93 -6.838 10.994 -5.594 1.00 0.00 C ATOM 1452 NZ LYS A 93 -6.487 12.428 -5.788 1.00 0.00 N ATOM 0 H LYS A 93 -8.128 6.482 -5.981 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.897 6.327 -4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.868 8.575 -4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.428 8.669 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.118 7.982 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.595 8.340 -6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.872 10.273 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.182 10.287 -6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.637 10.720 -6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.223 10.849 -4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.329 13.016 -5.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.743 12.698 -5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.143 12.573 -6.759 1.00 0.00 H new ATOM 1466 N VAL A 94 -7.258 5.904 -1.996 1.00 0.00 N ATOM 1467 CA VAL A 94 -7.973 5.553 -0.747 1.00 0.00 C ATOM 1468 C VAL A 94 -7.280 6.262 0.416 1.00 0.00 C ATOM 1469 O VAL A 94 -6.051 6.253 0.489 1.00 0.00 O ATOM 1470 CB VAL A 94 -8.014 4.021 -0.497 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -8.828 3.686 0.757 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -8.583 3.297 -1.716 1.00 0.00 C ATOM 0 H VAL A 94 -6.246 5.823 -1.902 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.009 5.879 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.992 3.679 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.839 2.606 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.376 4.168 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.850 4.045 0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.605 2.224 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.595 3.652 -1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.955 3.498 -2.584 1.00 0.00 H new ATOM 1482 N GLU A 95 -8.059 6.877 1.304 1.00 0.00 N ATOM 1483 CA GLU A 95 -7.550 7.592 2.475 1.00 0.00 C ATOM 1484 C GLU A 95 -7.757 6.760 3.751 1.00 0.00 C ATOM 1485 O GLU A 95 -8.849 6.242 3.980 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.250 8.958 2.562 1.00 0.00 C ATOM 1487 CG GLU A 95 -7.689 9.854 3.669 1.00 0.00 C ATOM 1488 CD GLU A 95 -8.439 11.195 3.719 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -8.349 11.987 2.751 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -9.135 11.465 4.727 1.00 0.00 O ATOM 0 H GLU A 95 -9.076 6.893 1.230 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.477 7.754 2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.153 9.470 1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.315 8.803 2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.775 9.348 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.628 10.032 3.496 1.00 0.00 H new ATOM 1497 N ILE A 96 -6.719 6.623 4.587 1.00 0.00 N ATOM 1498 CA ILE A 96 -6.676 5.664 5.711 1.00 0.00 C ATOM 1499 C ILE A 96 -5.714 6.127 6.818 1.00 0.00 C ATOM 1500 O ILE A 96 -4.730 6.801 6.531 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.313 4.255 5.163 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -6.516 3.170 6.239 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -4.896 4.204 4.563 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -6.439 1.736 5.704 1.00 0.00 C ATOM 0 H ILE A 96 -5.870 7.182 4.504 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.660 5.612 6.177 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.001 4.045 4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.762 3.298 7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.487 3.319 6.711 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.693 3.198 4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.824 4.914 3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.167 4.464 5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.592 1.033 6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.211 1.587 4.949 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.459 1.566 5.259 1.00 0.00 H new ATOM 1516 N ALA A 97 -5.964 5.778 8.084 1.00 0.00 N ATOM 1517 CA ALA A 97 -5.022 6.048 9.175 1.00 0.00 C ATOM 1518 C ALA A 97 -3.984 4.920 9.325 1.00 0.00 C ATOM 1519 O ALA A 97 -4.353 3.754 9.476 1.00 0.00 O ATOM 1520 CB ALA A 97 -5.797 6.288 10.476 1.00 0.00 C ATOM 0 H ALA A 97 -6.818 5.304 8.380 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.459 6.950 8.935 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.095 6.488 11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.461 7.143 10.351 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.386 5.403 10.717 1.00 0.00 H new ATOM 1526 N PHE A 98 -2.701 5.289 9.329 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.549 4.436 9.619 1.00 0.00 C ATOM 1528 C PHE A 98 -0.855 4.882 10.915 1.00 0.00 C ATOM 1529 O PHE A 98 -0.655 6.079 11.139 1.00 0.00 O ATOM 1530 CB PHE A 98 -0.548 4.533 8.454 1.00 0.00 C ATOM 1531 CG PHE A 98 -0.911 3.889 7.124 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -1.973 2.967 6.999 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -0.117 4.175 5.996 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -2.217 2.326 5.772 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -0.370 3.546 4.764 1.00 0.00 C ATOM 1536 CZ PHE A 98 -1.416 2.616 4.653 1.00 0.00 C ATOM 0 H PHE A 98 -2.424 6.247 9.117 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.894 3.409 9.741 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.358 5.590 8.269 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.392 4.094 8.788 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.601 2.753 7.851 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.694 4.884 6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.021 1.610 5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.240 3.778 3.904 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.605 2.124 3.710 1.00 0.00 H new ATOM 1546 N TYR A 99 -0.435 3.925 11.748 1.00 0.00 N ATOM 1547 CA TYR A 99 0.475 4.176 12.876 1.00 0.00 C ATOM 1548 C TYR A 99 1.961 4.137 12.446 1.00 0.00 C ATOM 1549 O TYR A 99 2.310 3.492 11.452 1.00 0.00 O ATOM 1550 CB TYR A 99 0.168 3.225 14.054 1.00 0.00 C ATOM 1551 CG TYR A 99 1.107 2.040 14.207 1.00 0.00 C ATOM 1552 CD1 TYR A 99 0.959 0.906 13.389 1.00 0.00 C ATOM 1553 CD2 TYR A 99 2.155 2.085 15.147 1.00 0.00 C ATOM 1554 CE1 TYR A 99 1.867 -0.165 13.477 1.00 0.00 C ATOM 1555 CE2 TYR A 99 3.073 1.020 15.241 1.00 0.00 C ATOM 1556 CZ TYR A 99 2.937 -0.107 14.400 1.00 0.00 C ATOM 1557 OH TYR A 99 3.834 -1.130 14.486 1.00 0.00 O ATOM 0 H TYR A 99 -0.717 2.949 11.661 1.00 0.00 H new ATOM 0 HA TYR A 99 0.296 5.192 13.229 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.188 3.803 14.978 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.848 2.847 13.937 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.140 0.857 12.686 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.256 2.940 15.799 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.747 -1.030 12.841 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.881 1.065 15.956 1.00 0.00 H new ATOM 0 HH TYR A 99 4.503 -0.922 15.172 1.00 0.00 H new ATOM 1567 N ARG A 100 2.836 4.804 13.211 1.00 0.00 N ATOM 1568 CA ARG A 100 4.303 4.752 13.063 1.00 0.00 C ATOM 1569 C ARG A 100 5.011 4.120 14.268 1.00 0.00 C ATOM 1570 O ARG A 100 4.507 4.153 15.387 1.00 0.00 O ATOM 1571 CB ARG A 100 4.866 6.146 12.720 1.00 0.00 C ATOM 1572 CG ARG A 100 4.762 7.204 13.834 1.00 0.00 C ATOM 1573 CD ARG A 100 5.342 8.563 13.407 1.00 0.00 C ATOM 1574 NE ARG A 100 6.804 8.516 13.192 1.00 0.00 N ATOM 1575 CZ ARG A 100 7.565 9.524 12.776 1.00 0.00 C ATOM 1576 NH1 ARG A 100 7.069 10.716 12.513 1.00 0.00 N ATOM 1577 NH2 ARG A 100 8.860 9.347 12.621 1.00 0.00 N ATOM 0 H ARG A 100 2.537 5.413 13.973 1.00 0.00 H new ATOM 0 HA ARG A 100 4.515 4.087 12.226 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.915 6.036 12.446 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.345 6.521 11.839 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.716 7.330 14.115 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.289 6.849 14.719 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.854 8.890 12.489 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.115 9.307 14.171 1.00 0.00 H new ATOM 0 HE ARG A 100 7.272 7.629 13.380 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.070 10.889 12.627 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.684 11.466 12.196 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.278 8.438 12.820 1.00 0.00 H new ATOM 0 HH22 ARG A 100 9.446 10.119 12.302 1.00 0.00 H new ATOM 1591 N LYS A 101 6.231 3.617 14.046 1.00 0.00 N ATOM 1592 CA LYS A 101 7.109 2.935 15.025 1.00 0.00 C ATOM 1593 C LYS A 101 7.279 3.680 16.364 1.00 0.00 C ATOM 1594 O LYS A 101 7.407 3.058 17.420 1.00 0.00 O ATOM 1595 CB LYS A 101 8.496 2.747 14.363 1.00 0.00 C ATOM 1596 CG LYS A 101 8.928 1.289 14.166 1.00 0.00 C ATOM 1597 CD LYS A 101 8.048 0.528 13.167 1.00 0.00 C ATOM 1598 CE LYS A 101 8.677 -0.856 12.926 1.00 0.00 C ATOM 1599 NZ LYS A 101 7.777 -1.784 12.190 1.00 0.00 N ATOM 0 H LYS A 101 6.665 3.675 13.125 1.00 0.00 H new ATOM 0 HA LYS A 101 6.633 1.988 15.278 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.489 3.242 13.392 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.245 3.253 14.973 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.962 1.267 13.820 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.902 0.776 15.127 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.035 0.422 13.556 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.973 1.080 12.230 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.603 -0.735 12.364 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.942 -1.300 13.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.340 -2.379 11.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.271 -2.388 12.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.089 -1.234 11.636 1.00 0.00 H new ATOM 1613 N ASP A 102 7.269 5.013 16.308 1.00 0.00 N ATOM 1614 CA ASP A 102 7.412 5.914 17.465 1.00 0.00 C ATOM 1615 C ASP A 102 6.185 5.922 18.409 1.00 0.00 C ATOM 1616 O ASP A 102 6.258 6.463 19.514 1.00 0.00 O ATOM 1617 CB ASP A 102 7.724 7.326 16.939 1.00 0.00 C ATOM 1618 CG ASP A 102 8.208 8.282 18.046 1.00 0.00 C ATOM 1619 OD1 ASP A 102 9.250 7.989 18.681 1.00 0.00 O ATOM 1620 OD2 ASP A 102 7.573 9.345 18.247 1.00 0.00 O ATOM 0 H ASP A 102 7.158 5.517 15.428 1.00 0.00 H new ATOM 0 HA ASP A 102 8.231 5.543 18.082 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.487 7.259 16.163 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.830 7.741 16.472 1.00 0.00 H new ATOM 1625 N GLY A 103 5.066 5.309 17.992 1.00 0.00 N ATOM 1626 CA GLY A 103 3.824 5.185 18.771 1.00 0.00 C ATOM 1627 C GLY A 103 2.765 6.240 18.439 1.00 0.00 C ATOM 1628 O GLY A 103 1.795 6.383 19.183 1.00 0.00 O ATOM 0 H GLY A 103 4.999 4.872 17.073 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.400 4.195 18.602 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.066 5.251 19.832 1.00 0.00 H new ATOM 1632 N SER A 104 2.935 6.974 17.338 1.00 0.00 N ATOM 1633 CA SER A 104 1.987 7.998 16.856 1.00 0.00 C ATOM 1634 C SER A 104 1.232 7.514 15.600 1.00 0.00 C ATOM 1635 O SER A 104 1.449 6.395 15.131 1.00 0.00 O ATOM 1636 CB SER A 104 2.742 9.313 16.569 1.00 0.00 C ATOM 1637 OG SER A 104 3.488 9.776 17.693 1.00 0.00 O ATOM 0 H SER A 104 3.753 6.876 16.737 1.00 0.00 H new ATOM 0 HA SER A 104 1.245 8.177 17.634 1.00 0.00 H new ATOM 0 HB2 SER A 104 3.417 9.163 15.727 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.027 10.080 16.272 1.00 0.00 H new ATOM 0 HG SER A 104 3.948 10.609 17.459 1.00 0.00 H new ATOM 1643 N CYS A 105 0.369 8.352 15.009 1.00 0.00 N ATOM 1644 CA CYS A 105 -0.357 8.035 13.772 1.00 0.00 C ATOM 1645 C CYS A 105 -0.638 9.271 12.897 1.00 0.00 C ATOM 1646 O CYS A 105 -0.413 10.414 13.305 1.00 0.00 O ATOM 1647 CB CYS A 105 -1.634 7.244 14.123 1.00 0.00 C ATOM 1648 SG CYS A 105 -2.823 8.278 15.029 1.00 0.00 S ATOM 0 H CYS A 105 0.154 9.277 15.380 1.00 0.00 H new ATOM 0 HA CYS A 105 0.283 7.408 13.150 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.096 6.871 13.209 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.372 6.374 14.726 1.00 0.00 H new ATOM 0 HG CYS A 105 -3.884 7.579 15.304 1.00 0.00 H new ATOM 1654 N PHE A 106 -1.128 9.019 11.683 1.00 0.00 N ATOM 1655 CA PHE A 106 -1.476 10.023 10.675 1.00 0.00 C ATOM 1656 C PHE A 106 -2.426 9.450 9.617 1.00 0.00 C ATOM 1657 O PHE A 106 -2.490 8.237 9.414 1.00 0.00 O ATOM 1658 CB PHE A 106 -0.194 10.580 10.021 1.00 0.00 C ATOM 1659 CG PHE A 106 0.763 9.528 9.479 1.00 0.00 C ATOM 1660 CD1 PHE A 106 0.487 8.856 8.271 1.00 0.00 C ATOM 1661 CD2 PHE A 106 1.939 9.219 10.189 1.00 0.00 C ATOM 1662 CE1 PHE A 106 1.380 7.887 7.778 1.00 0.00 C ATOM 1663 CE2 PHE A 106 2.833 8.256 9.692 1.00 0.00 C ATOM 1664 CZ PHE A 106 2.553 7.587 8.489 1.00 0.00 C ATOM 0 H PHE A 106 -1.301 8.067 11.360 1.00 0.00 H new ATOM 0 HA PHE A 106 -2.000 10.839 11.172 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.480 11.244 9.205 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.336 11.187 10.755 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.414 9.086 7.722 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.155 9.724 11.119 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.163 7.374 6.853 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.738 8.029 10.236 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.239 6.843 8.112 1.00 0.00 H new ATOM 1674 N LEU A 107 -3.130 10.333 8.905 1.00 0.00 N ATOM 1675 CA LEU A 107 -3.871 9.986 7.692 1.00 0.00 C ATOM 1676 C LEU A 107 -2.924 9.917 6.492 1.00 0.00 C ATOM 1677 O LEU A 107 -2.269 10.898 6.131 1.00 0.00 O ATOM 1678 CB LEU A 107 -4.992 11.009 7.428 1.00 0.00 C ATOM 1679 CG LEU A 107 -6.372 10.727 8.057 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -6.909 9.324 7.744 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -6.357 10.950 9.575 1.00 0.00 C ATOM 0 H LEU A 107 -3.202 11.319 9.158 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.326 9.006 7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.652 11.981 7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.124 11.093 6.349 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.050 11.444 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.882 9.193 8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.011 9.206 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.216 8.575 8.127 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.346 10.742 9.983 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.627 10.283 10.034 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.087 11.984 9.788 1.00 0.00 H new ATOM 1693 N CYS A 108 -2.917 8.762 5.836 1.00 0.00 N ATOM 1694 CA CYS A 108 -2.223 8.487 4.589 1.00 0.00 C ATOM 1695 C CYS A 108 -3.227 8.387 3.429 1.00 0.00 C ATOM 1696 O CYS A 108 -4.255 7.713 3.524 1.00 0.00 O ATOM 1697 CB CYS A 108 -1.438 7.182 4.770 1.00 0.00 C ATOM 1698 SG CYS A 108 -0.290 6.987 3.379 1.00 0.00 S ATOM 0 H CYS A 108 -3.425 7.948 6.182 1.00 0.00 H new ATOM 0 HA CYS A 108 -1.535 9.295 4.343 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.889 7.200 5.712 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.122 6.334 4.816 1.00 0.00 H new ATOM 0 HG CYS A 108 0.101 5.749 3.309 1.00 0.00 H new ATOM 1704 N LEU A 109 -2.908 9.031 2.311 1.00 0.00 N ATOM 1705 CA LEU A 109 -3.490 8.767 1.002 1.00 0.00 C ATOM 1706 C LEU A 109 -2.648 7.665 0.346 1.00 0.00 C ATOM 1707 O LEU A 109 -1.460 7.866 0.101 1.00 0.00 O ATOM 1708 CB LEU A 109 -3.490 10.089 0.206 1.00 0.00 C ATOM 1709 CG LEU A 109 -4.332 10.081 -1.090 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -4.595 11.526 -1.533 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -3.634 9.336 -2.234 1.00 0.00 C ATOM 0 H LEU A 109 -2.213 9.777 2.292 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.522 8.419 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.859 10.884 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.461 10.339 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.265 9.562 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.189 11.524 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.138 12.054 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.646 12.028 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.266 9.359 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.681 9.818 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.458 8.301 -1.940 1.00 0.00 H new ATOM 1723 N VAL A 110 -3.274 6.526 0.054 1.00 0.00 N ATOM 1724 CA VAL A 110 -2.714 5.447 -0.772 1.00 0.00 C ATOM 1725 C VAL A 110 -3.298 5.572 -2.184 1.00 0.00 C ATOM 1726 O VAL A 110 -4.494 5.348 -2.359 1.00 0.00 O ATOM 1727 CB VAL A 110 -3.020 4.058 -0.163 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -2.426 2.937 -1.028 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -2.479 3.940 1.273 1.00 0.00 C ATOM 0 H VAL A 110 -4.213 6.318 0.394 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.629 5.540 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.105 3.953 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.655 1.971 -0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.856 2.983 -2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.345 3.061 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.712 2.952 1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.399 4.084 1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.943 4.701 1.900 1.00 0.00 H new ATOM 1739 N ASP A 111 -2.494 5.948 -3.183 1.00 0.00 N ATOM 1740 CA ASP A 111 -2.852 5.961 -4.598 1.00 0.00 C ATOM 1741 C ASP A 111 -2.211 4.745 -5.259 1.00 0.00 C ATOM 1742 O ASP A 111 -0.991 4.668 -5.370 1.00 0.00 O ATOM 1743 CB ASP A 111 -2.368 7.270 -5.239 1.00 0.00 C ATOM 1744 CG ASP A 111 -2.497 7.283 -6.774 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -3.436 6.648 -7.312 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -1.666 7.959 -7.426 1.00 0.00 O ATOM 0 H ASP A 111 -1.538 6.264 -3.018 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.933 5.910 -4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.940 8.101 -4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.325 7.435 -4.968 1.00 0.00 H new ATOM 1751 N VAL A 112 -3.022 3.784 -5.680 1.00 0.00 N ATOM 1752 CA VAL A 112 -2.558 2.578 -6.369 1.00 0.00 C ATOM 1753 C VAL A 112 -2.668 2.816 -7.870 1.00 0.00 C ATOM 1754 O VAL A 112 -3.748 3.115 -8.384 1.00 0.00 O ATOM 1755 CB VAL A 112 -3.385 1.349 -5.984 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -2.807 0.060 -6.580 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -3.604 1.229 -4.464 1.00 0.00 C ATOM 0 H VAL A 112 -4.034 3.816 -5.553 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.526 2.382 -6.077 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.371 1.496 -6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -3.424 -0.787 -6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.795 0.135 -7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.790 -0.086 -6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.197 0.339 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.639 1.151 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.131 2.111 -4.102 1.00 0.00 H new ATOM 1767 N VAL A 113 -1.545 2.650 -8.559 1.00 0.00 N ATOM 1768 CA VAL A 113 -1.416 2.855 -10.000 1.00 0.00 C ATOM 1769 C VAL A 113 -1.210 1.476 -10.647 1.00 0.00 C ATOM 1770 O VAL A 113 -0.203 0.829 -10.347 1.00 0.00 O ATOM 1771 CB VAL A 113 -0.251 3.826 -10.295 1.00 0.00 C ATOM 1772 CG1 VAL A 113 0.012 3.953 -11.805 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -0.524 5.224 -9.715 1.00 0.00 C ATOM 0 H VAL A 113 -0.672 2.360 -8.119 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.312 3.313 -10.419 1.00 0.00 H new ATOM 0 HB VAL A 113 0.632 3.404 -9.815 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.838 4.644 -11.974 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.268 2.975 -12.213 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.883 4.330 -12.300 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.315 5.882 -9.941 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.433 5.631 -10.158 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.648 5.152 -8.634 1.00 0.00 H new ATOM 1783 N PRO A 114 -2.146 0.992 -11.489 1.00 0.00 N ATOM 1784 CA PRO A 114 -2.031 -0.307 -12.140 1.00 0.00 C ATOM 1785 C PRO A 114 -0.988 -0.239 -13.258 1.00 0.00 C ATOM 1786 O PRO A 114 -1.093 0.583 -14.168 1.00 0.00 O ATOM 1787 CB PRO A 114 -3.430 -0.630 -12.677 1.00 0.00 C ATOM 1788 CG PRO A 114 -4.041 0.746 -12.924 1.00 0.00 C ATOM 1789 CD PRO A 114 -3.427 1.604 -11.818 1.00 0.00 C ATOM 0 HA PRO A 114 -1.697 -1.088 -11.457 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.383 -1.219 -13.593 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.013 -1.205 -11.958 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.790 1.126 -13.914 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.129 0.721 -12.858 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.292 2.632 -12.153 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -4.078 1.637 -10.944 1.00 0.00 H new ATOM 1797 N VAL A 115 0.011 -1.121 -13.187 1.00 0.00 N ATOM 1798 CA VAL A 115 1.026 -1.285 -14.248 1.00 0.00 C ATOM 1799 C VAL A 115 0.656 -2.473 -15.137 1.00 0.00 C ATOM 1800 O VAL A 115 0.637 -3.618 -14.684 1.00 0.00 O ATOM 1801 CB VAL A 115 2.451 -1.448 -13.673 1.00 0.00 C ATOM 1802 CG1 VAL A 115 3.509 -1.688 -14.764 1.00 0.00 C ATOM 1803 CG2 VAL A 115 2.853 -0.204 -12.869 1.00 0.00 C ATOM 0 H VAL A 115 0.146 -1.747 -12.393 1.00 0.00 H new ATOM 0 HA VAL A 115 1.034 -0.375 -14.848 1.00 0.00 H new ATOM 0 HB VAL A 115 2.419 -2.327 -13.029 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.490 -1.795 -14.302 1.00 0.00 H new ATOM 0 HG12 VAL A 115 3.265 -2.597 -15.313 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.522 -0.842 -15.451 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.859 -0.337 -12.472 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.832 0.671 -13.518 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.154 -0.062 -12.045 1.00 0.00 H new ATOM 1813 N LYS A 116 0.399 -2.200 -16.420 1.00 0.00 N ATOM 1814 CA LYS A 116 0.189 -3.226 -17.449 1.00 0.00 C ATOM 1815 C LYS A 116 1.506 -3.690 -18.099 1.00 0.00 C ATOM 1816 O LYS A 116 2.490 -2.949 -18.152 1.00 0.00 O ATOM 1817 CB LYS A 116 -0.801 -2.729 -18.517 1.00 0.00 C ATOM 1818 CG LYS A 116 -2.219 -2.612 -17.944 1.00 0.00 C ATOM 1819 CD LYS A 116 -3.241 -2.243 -19.028 1.00 0.00 C ATOM 1820 CE LYS A 116 -4.605 -2.834 -18.650 1.00 0.00 C ATOM 1821 NZ LYS A 116 -5.643 -2.534 -19.676 1.00 0.00 N ATOM 0 H LYS A 116 0.330 -1.248 -16.779 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.239 -4.095 -16.948 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.477 -1.759 -18.894 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -0.803 -3.416 -19.363 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.504 -3.557 -17.482 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.233 -1.856 -17.159 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.314 -1.160 -19.124 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.919 -2.628 -19.996 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.513 -3.914 -18.531 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.920 -2.433 -17.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -6.550 -2.950 -19.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.749 -1.504 -19.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.355 -2.938 -20.590 1.00 0.00 H new ATOM 1835 N ASN A 117 1.503 -4.921 -18.617 1.00 0.00 N ATOM 1836 CA ASN A 117 2.620 -5.508 -19.363 1.00 0.00 C ATOM 1837 C ASN A 117 2.475 -5.275 -20.880 1.00 0.00 C ATOM 1838 O ASN A 117 1.545 -4.611 -21.340 1.00 0.00 O ATOM 1839 CB ASN A 117 2.774 -6.998 -18.985 1.00 0.00 C ATOM 1840 CG ASN A 117 1.823 -7.942 -19.712 1.00 0.00 C ATOM 1841 OD1 ASN A 117 2.210 -8.604 -20.662 1.00 0.00 O ATOM 1842 ND2 ASN A 117 0.558 -7.998 -19.342 1.00 0.00 N ATOM 0 H ASN A 117 0.706 -5.552 -18.528 1.00 0.00 H new ATOM 0 HA ASN A 117 3.544 -5.003 -19.081 1.00 0.00 H new ATOM 0 HB2 ASN A 117 3.799 -7.307 -19.191 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.619 -7.104 -17.911 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -0.096 -8.594 -19.849 1.00 0.00 H new ATOM 0 HD22 ASN A 117 0.234 -7.445 -18.548 1.00 0.00 H new ATOM 1849 N GLU A 118 3.372 -5.887 -21.650 1.00 0.00 N ATOM 1850 CA GLU A 118 3.402 -5.831 -23.122 1.00 0.00 C ATOM 1851 C GLU A 118 2.130 -6.382 -23.809 1.00 0.00 C ATOM 1852 O GLU A 118 1.837 -6.008 -24.946 1.00 0.00 O ATOM 1853 CB GLU A 118 4.658 -6.556 -23.641 1.00 0.00 C ATOM 1854 CG GLU A 118 4.773 -8.014 -23.169 1.00 0.00 C ATOM 1855 CD GLU A 118 5.927 -8.732 -23.883 1.00 0.00 C ATOM 1856 OE1 GLU A 118 7.076 -8.693 -23.379 1.00 0.00 O ATOM 1857 OE2 GLU A 118 5.699 -9.347 -24.952 1.00 0.00 O ATOM 0 H GLU A 118 4.125 -6.455 -21.261 1.00 0.00 H new ATOM 0 HA GLU A 118 3.435 -4.775 -23.388 1.00 0.00 H new ATOM 0 HB2 GLU A 118 4.653 -6.536 -24.731 1.00 0.00 H new ATOM 0 HB3 GLU A 118 5.543 -6.008 -23.316 1.00 0.00 H new ATOM 0 HG2 GLU A 118 4.935 -8.040 -22.091 1.00 0.00 H new ATOM 0 HG3 GLU A 118 3.837 -8.538 -23.364 1.00 0.00 H new ATOM 1864 N ASP A 119 1.354 -7.238 -23.131 1.00 0.00 N ATOM 1865 CA ASP A 119 0.103 -7.829 -23.637 1.00 0.00 C ATOM 1866 C ASP A 119 -1.147 -6.987 -23.291 1.00 0.00 C ATOM 1867 O ASP A 119 -2.256 -7.306 -23.724 1.00 0.00 O ATOM 1868 CB ASP A 119 -0.013 -9.258 -23.075 1.00 0.00 C ATOM 1869 CG ASP A 119 -1.130 -10.082 -23.739 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -1.070 -10.300 -24.973 1.00 0.00 O ATOM 1871 OD2 ASP A 119 -2.043 -10.550 -23.016 1.00 0.00 O ATOM 0 H ASP A 119 1.584 -7.549 -22.187 1.00 0.00 H new ATOM 0 HA ASP A 119 0.143 -7.850 -24.726 1.00 0.00 H new ATOM 0 HB2 ASP A 119 0.938 -9.773 -23.210 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -0.198 -9.206 -22.002 1.00 0.00 H new ATOM 1876 N GLY A 120 -0.981 -5.915 -22.503 1.00 0.00 N ATOM 1877 CA GLY A 120 -2.066 -5.019 -22.080 1.00 0.00 C ATOM 1878 C GLY A 120 -2.900 -5.542 -20.905 1.00 0.00 C ATOM 1879 O GLY A 120 -4.032 -5.096 -20.727 1.00 0.00 O ATOM 0 H GLY A 120 -0.070 -5.641 -22.135 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.638 -4.055 -21.805 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.727 -4.843 -22.929 1.00 0.00 H new ATOM 1883 N ALA A 121 -2.353 -6.454 -20.091 1.00 0.00 N ATOM 1884 CA ALA A 121 -2.947 -6.937 -18.836 1.00 0.00 C ATOM 1885 C ALA A 121 -2.160 -6.384 -17.639 1.00 0.00 C ATOM 1886 O ALA A 121 -0.952 -6.186 -17.751 1.00 0.00 O ATOM 1887 CB ALA A 121 -2.959 -8.474 -18.840 1.00 0.00 C ATOM 0 H ALA A 121 -1.454 -6.891 -20.294 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.975 -6.585 -18.749 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.399 -8.837 -17.911 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.549 -8.831 -19.684 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.938 -8.846 -18.928 1.00 0.00 H new ATOM 1893 N VAL A 122 -2.812 -6.141 -16.503 1.00 0.00 N ATOM 1894 CA VAL A 122 -2.159 -5.620 -15.279 1.00 0.00 C ATOM 1895 C VAL A 122 -1.439 -6.747 -14.530 1.00 0.00 C ATOM 1896 O VAL A 122 -2.028 -7.783 -14.224 1.00 0.00 O ATOM 1897 CB VAL A 122 -3.117 -4.787 -14.390 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -4.411 -5.527 -14.046 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -2.452 -4.272 -13.103 1.00 0.00 C ATOM 0 H VAL A 122 -3.814 -6.297 -16.394 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.394 -4.907 -15.586 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.375 -3.924 -15.004 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -5.039 -4.891 -13.422 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.944 -5.774 -14.964 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -4.173 -6.444 -13.506 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.175 -3.697 -12.525 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.104 -5.118 -12.510 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.605 -3.636 -13.360 1.00 0.00 H new ATOM 1909 N ILE A 123 -0.143 -6.540 -14.264 1.00 0.00 N ATOM 1910 CA ILE A 123 0.753 -7.551 -13.651 1.00 0.00 C ATOM 1911 C ILE A 123 1.484 -7.053 -12.400 1.00 0.00 C ATOM 1912 O ILE A 123 1.856 -7.853 -11.547 1.00 0.00 O ATOM 1913 CB ILE A 123 1.740 -8.140 -14.689 1.00 0.00 C ATOM 1914 CG1 ILE A 123 2.973 -7.266 -15.022 1.00 0.00 C ATOM 1915 CG2 ILE A 123 1.016 -8.588 -15.970 1.00 0.00 C ATOM 1916 CD1 ILE A 123 2.746 -5.826 -15.495 1.00 0.00 C ATOM 0 H ILE A 123 0.326 -5.658 -14.468 1.00 0.00 H new ATOM 0 HA ILE A 123 0.099 -8.353 -13.309 1.00 0.00 H new ATOM 0 HB ILE A 123 2.155 -9.013 -14.185 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.601 -7.227 -14.132 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.545 -7.781 -15.793 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.741 -8.996 -16.674 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.280 -9.353 -15.723 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.513 -7.733 -16.422 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.708 -5.350 -15.686 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.156 -5.833 -16.411 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.213 -5.270 -14.724 1.00 0.00 H new ATOM 1928 N MET A 124 1.640 -5.737 -12.249 1.00 0.00 N ATOM 1929 CA MET A 124 2.126 -5.073 -11.029 1.00 0.00 C ATOM 1930 C MET A 124 1.237 -3.888 -10.631 1.00 0.00 C ATOM 1931 O MET A 124 0.606 -3.246 -11.471 1.00 0.00 O ATOM 1932 CB MET A 124 3.572 -4.592 -11.241 1.00 0.00 C ATOM 1933 CG MET A 124 4.579 -5.749 -11.268 1.00 0.00 C ATOM 1934 SD MET A 124 6.234 -5.260 -11.818 1.00 0.00 S ATOM 1935 CE MET A 124 5.917 -5.094 -13.593 1.00 0.00 C ATOM 0 H MET A 124 1.425 -5.077 -12.997 1.00 0.00 H new ATOM 0 HA MET A 124 2.092 -5.800 -10.218 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.634 -4.039 -12.178 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.841 -3.899 -10.444 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.650 -6.181 -10.270 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.203 -6.531 -11.927 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.842 -4.830 -14.105 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.542 -6.039 -13.986 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.175 -4.313 -13.759 1.00 0.00 H new ATOM 1945 N PHE A 125 1.247 -3.555 -9.344 1.00 0.00 N ATOM 1946 CA PHE A 125 0.676 -2.328 -8.792 1.00 0.00 C ATOM 1947 C PHE A 125 1.788 -1.494 -8.162 1.00 0.00 C ATOM 1948 O PHE A 125 2.589 -2.021 -7.393 1.00 0.00 O ATOM 1949 CB PHE A 125 -0.381 -2.707 -7.748 1.00 0.00 C ATOM 1950 CG PHE A 125 -1.614 -3.356 -8.334 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -2.522 -2.578 -9.077 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -1.865 -4.725 -8.131 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -3.679 -3.168 -9.615 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -3.021 -5.312 -8.672 1.00 0.00 C ATOM 1955 CZ PHE A 125 -3.923 -4.536 -9.421 1.00 0.00 C ATOM 0 H PHE A 125 1.667 -4.152 -8.631 1.00 0.00 H new ATOM 0 HA PHE A 125 0.205 -1.736 -9.577 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.066 -3.387 -7.023 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -0.678 -1.811 -7.204 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.330 -1.527 -9.234 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.170 -5.324 -7.560 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -4.380 -2.569 -10.177 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.217 -6.362 -8.512 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.804 -4.993 -9.847 1.00 0.00 H new ATOM 1965 N ILE A 126 1.818 -0.190 -8.451 1.00 0.00 N ATOM 1966 CA ILE A 126 2.632 0.784 -7.702 1.00 0.00 C ATOM 1967 C ILE A 126 1.690 1.407 -6.680 1.00 0.00 C ATOM 1968 O ILE A 126 0.684 1.992 -7.082 1.00 0.00 O ATOM 1969 CB ILE A 126 3.243 1.877 -8.618 1.00 0.00 C ATOM 1970 CG1 ILE A 126 4.073 1.293 -9.783 1.00 0.00 C ATOM 1971 CG2 ILE A 126 4.111 2.833 -7.772 1.00 0.00 C ATOM 1972 CD1 ILE A 126 4.393 2.314 -10.885 1.00 0.00 C ATOM 0 H ILE A 126 1.279 0.225 -9.211 1.00 0.00 H new ATOM 0 HA ILE A 126 3.483 0.288 -7.234 1.00 0.00 H new ATOM 0 HB ILE A 126 2.414 2.421 -9.070 1.00 0.00 H new ATOM 0 HG12 ILE A 126 5.007 0.894 -9.388 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.529 0.457 -10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.540 3.601 -8.416 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.494 3.304 -7.007 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.913 2.270 -7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 126 4.978 1.832 -11.669 1.00 0.00 H new ATOM 0 HD12 ILE A 126 3.464 2.696 -11.308 1.00 0.00 H new ATOM 0 HD13 ILE A 126 4.965 3.140 -10.461 1.00 0.00 H new ATOM 1984 N LEU A 127 1.974 1.261 -5.389 1.00 0.00 N ATOM 1985 CA LEU A 127 1.188 1.845 -4.313 1.00 0.00 C ATOM 1986 C LEU A 127 1.959 3.044 -3.790 1.00 0.00 C ATOM 1987 O LEU A 127 3.077 2.887 -3.301 1.00 0.00 O ATOM 1988 CB LEU A 127 0.941 0.799 -3.210 1.00 0.00 C ATOM 1989 CG LEU A 127 -0.179 -0.191 -3.584 1.00 0.00 C ATOM 1990 CD1 LEU A 127 0.300 -1.299 -4.534 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -0.820 -0.763 -2.318 1.00 0.00 C ATOM 0 H LEU A 127 2.774 0.722 -5.058 1.00 0.00 H new ATOM 0 HA LEU A 127 0.208 2.166 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 127 1.862 0.248 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.679 1.307 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.938 0.363 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.531 -1.966 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.671 -0.852 -5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 127 1.100 -1.866 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.610 -1.461 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.064 -1.284 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.243 0.048 -1.726 1.00 0.00 H new ATOM 2003 N ASN A 128 1.375 4.233 -3.917 1.00 0.00 N ATOM 2004 CA ASN A 128 2.047 5.481 -3.522 1.00 0.00 C ATOM 2005 C ASN A 128 1.428 6.052 -2.240 1.00 0.00 C ATOM 2006 O ASN A 128 0.215 6.249 -2.195 1.00 0.00 O ATOM 2007 CB ASN A 128 2.031 6.548 -4.627 1.00 0.00 C ATOM 2008 CG ASN A 128 2.337 6.033 -6.031 1.00 0.00 C ATOM 2009 OD1 ASN A 128 3.441 6.158 -6.545 1.00 0.00 O ATOM 2010 ND2 ASN A 128 1.355 5.465 -6.704 1.00 0.00 N ATOM 0 H ASN A 128 0.435 4.365 -4.291 1.00 0.00 H new ATOM 0 HA ASN A 128 3.089 5.219 -3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 128 1.050 7.023 -4.637 1.00 0.00 H new ATOM 0 HB3 ASN A 128 2.757 7.321 -4.374 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.515 5.129 -7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 128 0.436 5.361 -6.275 1.00 0.00 H new ATOM 2017 N PHE A 129 2.247 6.327 -1.220 1.00 0.00 N ATOM 2018 CA PHE A 129 1.823 6.826 0.088 1.00 0.00 C ATOM 2019 C PHE A 129 2.099 8.334 0.204 1.00 0.00 C ATOM 2020 O PHE A 129 3.197 8.795 -0.108 1.00 0.00 O ATOM 2021 CB PHE A 129 2.564 6.030 1.182 1.00 0.00 C ATOM 2022 CG PHE A 129 2.390 4.514 1.200 1.00 0.00 C ATOM 2023 CD1 PHE A 129 1.300 3.876 0.569 1.00 0.00 C ATOM 2024 CD2 PHE A 129 3.335 3.731 1.892 1.00 0.00 C ATOM 2025 CE1 PHE A 129 1.161 2.478 0.634 1.00 0.00 C ATOM 2026 CE2 PHE A 129 3.198 2.334 1.951 1.00 0.00 C ATOM 2027 CZ PHE A 129 2.108 1.707 1.326 1.00 0.00 C ATOM 0 H PHE A 129 3.257 6.203 -1.287 1.00 0.00 H new ATOM 0 HA PHE A 129 0.749 6.686 0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.629 6.244 1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 129 2.245 6.415 2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.569 4.464 0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 129 4.171 4.208 2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 129 0.324 1.997 0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.932 1.742 2.478 1.00 0.00 H new ATOM 0 HZ PHE A 129 1.999 0.634 1.378 1.00 0.00 H new ATOM 2037 N GLU A 130 1.128 9.096 0.698 1.00 0.00 N ATOM 2038 CA GLU A 130 1.241 10.533 0.958 1.00 0.00 C ATOM 2039 C GLU A 130 0.574 10.861 2.298 1.00 0.00 C ATOM 2040 O GLU A 130 -0.581 10.506 2.504 1.00 0.00 O ATOM 2041 CB GLU A 130 0.556 11.315 -0.184 1.00 0.00 C ATOM 2042 CG GLU A 130 1.481 11.512 -1.391 1.00 0.00 C ATOM 2043 CD GLU A 130 0.802 12.368 -2.469 1.00 0.00 C ATOM 2044 OE1 GLU A 130 0.819 13.617 -2.352 1.00 0.00 O ATOM 2045 OE2 GLU A 130 0.264 11.804 -3.450 1.00 0.00 O ATOM 0 H GLU A 130 0.210 8.721 0.937 1.00 0.00 H new ATOM 0 HA GLU A 130 2.292 10.819 1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.341 10.782 -0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.234 12.288 0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 130 2.406 11.991 -1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 130 1.752 10.542 -1.808 1.00 0.00 H new ATOM 2052 N VAL A 131 1.261 11.545 3.216 1.00 0.00 N ATOM 2053 CA VAL A 131 0.651 11.986 4.487 1.00 0.00 C ATOM 2054 C VAL A 131 -0.272 13.166 4.184 1.00 0.00 C ATOM 2055 O VAL A 131 0.193 14.243 3.814 1.00 0.00 O ATOM 2056 CB VAL A 131 1.701 12.330 5.569 1.00 0.00 C ATOM 2057 CG1 VAL A 131 1.056 12.944 6.826 1.00 0.00 C ATOM 2058 CG2 VAL A 131 2.439 11.050 5.984 1.00 0.00 C ATOM 0 H VAL A 131 2.240 11.809 3.109 1.00 0.00 H new ATOM 0 HA VAL A 131 0.074 11.164 4.911 1.00 0.00 H new ATOM 0 HB VAL A 131 2.386 13.061 5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 131 1.830 13.170 7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.534 13.862 6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.347 12.236 7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.180 11.288 6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 131 1.724 10.331 6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.938 10.620 5.116 1.00 0.00 H new ATOM 2068 N VAL A 132 -1.581 12.937 4.316 1.00 0.00 N ATOM 2069 CA VAL A 132 -2.625 13.910 3.939 1.00 0.00 C ATOM 2070 C VAL A 132 -3.078 14.782 5.121 1.00 0.00 C ATOM 2071 O VAL A 132 -3.545 15.900 4.912 1.00 0.00 O ATOM 2072 CB VAL A 132 -3.813 13.216 3.229 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -4.771 12.484 4.160 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -4.583 14.183 2.316 1.00 0.00 C ATOM 0 H VAL A 132 -1.956 12.065 4.690 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.175 14.595 3.221 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.345 12.446 2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -5.570 12.029 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.230 11.707 4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -5.199 13.191 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.408 13.654 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.977 15.008 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.912 14.574 1.552 1.00 0.00 H new ATOM 2084 N MET A 133 -2.896 14.295 6.360 1.00 0.00 N ATOM 2085 CA MET A 133 -3.249 14.994 7.603 1.00 0.00 C ATOM 2086 C MET A 133 -2.561 14.330 8.807 1.00 0.00 C ATOM 2087 O MET A 133 -2.642 13.116 8.978 1.00 0.00 O ATOM 2088 CB MET A 133 -4.785 15.052 7.737 1.00 0.00 C ATOM 2089 CG MET A 133 -5.281 15.600 9.077 1.00 0.00 C ATOM 2090 SD MET A 133 -4.762 17.300 9.433 1.00 0.00 S ATOM 2091 CE MET A 133 -5.567 17.510 11.039 1.00 0.00 C ATOM 0 H MET A 133 -2.487 13.376 6.527 1.00 0.00 H new ATOM 0 HA MET A 133 -2.886 16.021 7.575 1.00 0.00 H new ATOM 0 HB2 MET A 133 -5.185 15.672 6.934 1.00 0.00 H new ATOM 0 HB3 MET A 133 -5.188 14.049 7.596 1.00 0.00 H new ATOM 0 HG2 MET A 133 -6.370 15.555 9.093 1.00 0.00 H new ATOM 0 HG3 MET A 133 -4.924 14.950 9.876 1.00 0.00 H new ATOM 0 HE1 MET A 133 -5.359 18.509 11.422 1.00 0.00 H new ATOM 0 HE2 MET A 133 -6.643 17.382 10.926 1.00 0.00 H new ATOM 0 HE3 MET A 133 -5.184 16.766 11.738 1.00 0.00 H new ATOM 2101 N GLU A 134 -1.881 15.111 9.647 1.00 0.00 N ATOM 2102 CA GLU A 134 -1.201 14.612 10.848 1.00 0.00 C ATOM 2103 C GLU A 134 -2.161 14.629 12.053 1.00 0.00 C ATOM 2104 O GLU A 134 -2.730 15.674 12.386 1.00 0.00 O ATOM 2105 CB GLU A 134 0.059 15.453 11.104 1.00 0.00 C ATOM 2106 CG GLU A 134 0.921 14.890 12.241 1.00 0.00 C ATOM 2107 CD GLU A 134 2.197 15.724 12.416 1.00 0.00 C ATOM 2108 OE1 GLU A 134 2.174 16.728 13.169 1.00 0.00 O ATOM 2109 OE2 GLU A 134 3.239 15.384 11.804 1.00 0.00 O ATOM 0 H GLU A 134 -1.784 16.118 9.514 1.00 0.00 H new ATOM 0 HA GLU A 134 -0.894 13.577 10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 134 0.653 15.499 10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -0.233 16.475 11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 134 0.351 14.888 13.170 1.00 0.00 H new ATOM 0 HG3 GLU A 134 1.184 13.854 12.027 1.00 0.00 H new ATOM 2116 N LYS A 135 -2.341 13.471 12.704 1.00 0.00 N ATOM 2117 CA LYS A 135 -3.199 13.307 13.894 1.00 0.00 C ATOM 2118 C LYS A 135 -2.486 13.688 15.204 1.00 0.00 C ATOM 2119 O LYS A 135 -3.134 14.350 16.048 1.00 0.00 O ATOM 2120 CB LYS A 135 -3.749 11.869 13.963 1.00 0.00 C ATOM 2121 CG LYS A 135 -4.768 11.501 12.865 1.00 0.00 C ATOM 2122 CD LYS A 135 -6.230 11.872 13.188 1.00 0.00 C ATOM 2123 CE LYS A 135 -6.499 13.385 13.232 1.00 0.00 C ATOM 2124 NZ LYS A 135 -7.948 13.689 13.392 1.00 0.00 N ATOM 2125 OXT LYS A 135 -1.302 13.327 15.401 1.00 0.00 O ATOM 0 H LYS A 135 -1.888 12.604 12.416 1.00 0.00 H new ATOM 0 HA LYS A 135 -4.031 14.002 13.785 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -2.911 11.174 13.906 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.219 11.723 14.936 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -4.478 11.998 11.939 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -4.712 10.428 12.682 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -6.882 11.420 12.441 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -6.499 11.438 14.151 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -5.942 13.828 14.057 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -6.131 13.846 12.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -8.086 14.720 13.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -8.477 13.288 12.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -8.294 13.272 14.279 1.00 0.00 H new TER 2139 LYS A 135