USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 785 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 79 LYS NZ :NH3+ 180:sc= 0.785 (180deg=0.785) USER MOD Set 1.2: A 92 TYR OH : rot 180:sc= -0.129 USER MOD Set 2.1: A 28 TYR OH : rot -35:sc= 0.0421 USER MOD Set 2.2: A 63 HIS : no HE2:sc= 1.06 K(o=-0.46,f=-5.3!) USER MOD Set 2.3: A 67 ASN : amide:sc= -1.56 X(o=-0.46,f=-0.73) USER MOD Set 3.1: A 37 ASN : amide:sc= -0.226 K(o=-0.23,f=-4.7!) USER MOD Set 3.2: A 74 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 2 SER OG : rot 100:sc= -2.37! USER MOD Set 4.2: A 7 LYS NZ :NH3+ 143:sc= 0.152 (180deg=-0.361) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.302 (180deg=-0.347) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 11 ASN : amide:sc= 0.591 K(o=0.59,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= -0.0201 (180deg=-0.195) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 1.18 K(o=1.2,f=-0.039) USER MOD Single : A 21 ASN : amide:sc= -0.015 K(o=-0.015,f=-1.1) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.503 USER MOD Single : A 33 ASN : amide:sc= -0.424 K(o=-0.42,f=-4.6!) USER MOD Single : A 34 ASN : amide:sc= 0.335 X(o=0.34,f=0) USER MOD Single : A 40 HIS : no HD1:sc= 0.783 K(o=0.78,f=-3.4!) USER MOD Single : A 41 THR OG1 : rot -150:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.285 K(o=-0.28,f=-2.8!) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= 1.15 (180deg=0.962) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= 0.137 (180deg=0.0422) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0172 F(o=-0.84,f=-0.017) USER MOD Single : A 70 LYS NZ :NH3+ -140:sc= 0.722 (180deg=-0.215) USER MOD Single : A 75 CYS SG : rot 44:sc= -1.75! USER MOD Single : A 76 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 80 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.1!) USER MOD Single : A 81 MET CE :methyl -150:sc= -0.435 (180deg=-1.2) USER MOD Single : A 84 LYS NZ :NH3+ -165:sc= -0.0774 (180deg=-0.394) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.213 F(o=-3.2!,f=-0.21) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0.372 K(o=0.37,f=-2.9!) USER MOD Single : A 102 HIS : no HD1:sc= -0.0605 X(o=-0.061,f=-0.0019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.159 -0.033 -2.708 1.00 0.00 N ATOM 2 CA MET A 1 24.231 -0.180 -4.178 1.00 0.00 C ATOM 3 C MET A 1 22.845 -0.084 -4.804 1.00 0.00 C ATOM 4 O MET A 1 22.715 0.118 -6.010 1.00 0.00 O ATOM 5 CB MET A 1 24.891 -1.514 -4.558 1.00 0.00 C ATOM 6 CG MET A 1 24.162 -2.743 -4.033 1.00 0.00 C ATOM 7 SD MET A 1 24.999 -4.282 -4.464 1.00 0.00 S ATOM 8 CE MET A 1 23.918 -5.486 -3.697 1.00 0.00 C ATOM 0 H1 MET A 1 25.113 -0.119 -2.303 1.00 0.00 H new ATOM 0 H2 MET A 1 23.765 0.900 -2.471 1.00 0.00 H new ATOM 0 H3 MET A 1 23.548 -0.777 -2.314 1.00 0.00 H new ATOM 0 HA MET A 1 24.842 0.636 -4.566 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.954 -1.579 -5.644 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.913 -1.522 -4.179 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.074 -2.673 -2.949 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.149 -2.760 -4.435 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.305 -6.489 -3.877 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.872 -5.302 -2.624 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.918 -5.401 -4.123 1.00 0.00 H new ATOM 20 N SER A 2 21.811 -0.234 -3.989 1.00 0.00 N ATOM 21 CA SER A 2 20.446 -0.107 -4.464 1.00 0.00 C ATOM 22 C SER A 2 20.086 1.369 -4.595 1.00 0.00 C ATOM 23 O SER A 2 19.873 2.058 -3.593 1.00 0.00 O ATOM 24 CB SER A 2 19.491 -0.813 -3.497 1.00 0.00 C ATOM 25 OG SER A 2 18.182 -0.912 -4.034 1.00 0.00 O ATOM 0 H SER A 2 21.894 -0.444 -2.994 1.00 0.00 H new ATOM 0 HA SER A 2 20.355 -0.577 -5.443 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.870 -1.811 -3.274 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.458 -0.267 -2.554 1.00 0.00 H new ATOM 0 HG SER A 2 18.046 -1.811 -4.400 1.00 0.00 H new ATOM 31 N ASN A 3 20.039 1.856 -5.828 1.00 0.00 N ATOM 32 CA ASN A 3 19.795 3.271 -6.078 1.00 0.00 C ATOM 33 C ASN A 3 18.391 3.476 -6.624 1.00 0.00 C ATOM 34 O ASN A 3 18.127 3.195 -7.794 1.00 0.00 O ATOM 35 CB ASN A 3 20.820 3.846 -7.064 1.00 0.00 C ATOM 36 CG ASN A 3 22.260 3.601 -6.646 1.00 0.00 C ATOM 37 OD1 ASN A 3 22.571 3.471 -5.461 1.00 0.00 O ATOM 38 ND2 ASN A 3 23.154 3.553 -7.622 1.00 0.00 N ATOM 0 H ASN A 3 20.166 1.294 -6.669 1.00 0.00 H new ATOM 0 HA ASN A 3 19.895 3.798 -5.129 1.00 0.00 H new ATOM 0 HB2 ASN A 3 20.655 3.405 -8.047 1.00 0.00 H new ATOM 0 HB3 ASN A 3 20.656 4.919 -7.164 1.00 0.00 H new ATOM 0 HD21 ASN A 3 24.139 3.404 -7.404 1.00 0.00 H new ATOM 0 HD22 ASN A 3 22.857 3.665 -8.591 1.00 0.00 H new ATOM 45 N LEU A 4 17.489 3.943 -5.756 1.00 0.00 N ATOM 46 CA LEU A 4 16.095 4.199 -6.124 1.00 0.00 C ATOM 47 C LEU A 4 15.420 2.927 -6.635 1.00 0.00 C ATOM 48 O LEU A 4 14.453 2.984 -7.398 1.00 0.00 O ATOM 49 CB LEU A 4 16.012 5.298 -7.191 1.00 0.00 C ATOM 50 CG LEU A 4 16.586 6.657 -6.779 1.00 0.00 C ATOM 51 CD1 LEU A 4 16.474 7.653 -7.924 1.00 0.00 C ATOM 52 CD2 LEU A 4 15.879 7.186 -5.539 1.00 0.00 C ATOM 0 H LEU A 4 17.704 4.153 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 4 15.571 4.533 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 4 16.537 4.956 -8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 4 14.967 5.433 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 4 17.641 6.524 -6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 4 16.887 8.613 -7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 4 17.029 7.281 -8.785 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.426 7.779 -8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 4 16.302 8.152 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.816 7.302 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 4 16.013 6.483 -4.716 1.00 0.00 H new ATOM 64 N GLU A 5 15.920 1.781 -6.194 1.00 0.00 N ATOM 65 CA GLU A 5 15.413 0.500 -6.656 1.00 0.00 C ATOM 66 C GLU A 5 14.218 0.046 -5.824 1.00 0.00 C ATOM 67 O GLU A 5 14.170 0.254 -4.608 1.00 0.00 O ATOM 68 CB GLU A 5 16.523 -0.556 -6.617 1.00 0.00 C ATOM 69 CG GLU A 5 16.091 -1.921 -7.127 1.00 0.00 C ATOM 70 CD GLU A 5 15.662 -1.899 -8.583 1.00 0.00 C ATOM 71 OE1 GLU A 5 14.674 -1.207 -8.910 1.00 0.00 O ATOM 72 OE2 GLU A 5 16.307 -2.582 -9.404 1.00 0.00 O ATOM 0 H GLU A 5 16.678 1.714 -5.515 1.00 0.00 H new ATOM 0 HA GLU A 5 15.077 0.622 -7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.365 -0.206 -7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.879 -0.658 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.914 -2.625 -7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.266 -2.287 -6.516 1.00 0.00 H new ATOM 79 N ILE A 6 13.263 -0.580 -6.493 1.00 0.00 N ATOM 80 CA ILE A 6 12.059 -1.068 -5.848 1.00 0.00 C ATOM 81 C ILE A 6 12.241 -2.514 -5.406 1.00 0.00 C ATOM 82 O ILE A 6 12.297 -3.422 -6.238 1.00 0.00 O ATOM 83 CB ILE A 6 10.843 -0.994 -6.795 1.00 0.00 C ATOM 84 CG1 ILE A 6 10.714 0.407 -7.396 1.00 0.00 C ATOM 85 CG2 ILE A 6 9.573 -1.371 -6.047 1.00 0.00 C ATOM 86 CD1 ILE A 6 9.614 0.528 -8.427 1.00 0.00 C ATOM 0 H ILE A 6 13.302 -0.763 -7.496 1.00 0.00 H new ATOM 0 HA ILE A 6 11.877 -0.431 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 6 10.993 -1.703 -7.610 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.528 1.121 -6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.663 0.684 -7.856 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.721 -1.315 -6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.665 -2.387 -5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.421 -0.681 -5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.583 1.549 -8.808 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.809 -0.161 -9.249 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.656 0.283 -7.968 1.00 0.00 H new ATOM 98 N LYS A 7 12.347 -2.727 -4.107 1.00 0.00 N ATOM 99 CA LYS A 7 12.461 -4.070 -3.572 1.00 0.00 C ATOM 100 C LYS A 7 11.085 -4.617 -3.233 1.00 0.00 C ATOM 101 O LYS A 7 10.190 -3.872 -2.826 1.00 0.00 O ATOM 102 CB LYS A 7 13.374 -4.097 -2.347 1.00 0.00 C ATOM 103 CG LYS A 7 14.838 -4.301 -2.692 1.00 0.00 C ATOM 104 CD LYS A 7 15.711 -4.305 -1.449 1.00 0.00 C ATOM 105 CE LYS A 7 15.947 -2.897 -0.931 1.00 0.00 C ATOM 106 NZ LYS A 7 16.777 -2.100 -1.874 1.00 0.00 N ATOM 0 H LYS A 7 12.356 -1.988 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 7 12.910 -4.707 -4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.264 -3.160 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.051 -4.896 -1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.959 -5.244 -3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.167 -3.510 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.237 -4.905 -0.672 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.668 -4.775 -1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.989 -2.399 -0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.441 -2.943 0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.440 -1.116 -1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.770 -2.122 -1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.701 -2.504 -2.829 1.00 0.00 H new ATOM 120 N GLN A 8 10.920 -5.915 -3.409 1.00 0.00 N ATOM 121 CA GLN A 8 9.622 -6.544 -3.258 1.00 0.00 C ATOM 122 C GLN A 8 9.503 -7.255 -1.920 1.00 0.00 C ATOM 123 O GLN A 8 10.372 -8.040 -1.538 1.00 0.00 O ATOM 124 CB GLN A 8 9.383 -7.530 -4.402 1.00 0.00 C ATOM 125 CG GLN A 8 8.025 -8.212 -4.360 1.00 0.00 C ATOM 126 CD GLN A 8 7.802 -9.123 -5.554 1.00 0.00 C ATOM 127 OE1 GLN A 8 8.327 -8.880 -6.641 1.00 0.00 O ATOM 128 NE2 GLN A 8 7.025 -10.176 -5.364 1.00 0.00 N ATOM 0 H GLN A 8 11.673 -6.556 -3.658 1.00 0.00 H new ATOM 0 HA GLN A 8 8.862 -5.763 -3.290 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.483 -7.001 -5.350 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.161 -8.293 -4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.941 -8.793 -3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.241 -7.455 -4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.608 -10.344 -4.448 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.843 -10.821 -6.133 1.00 0.00 H new ATOM 137 N GLY A 9 8.428 -6.954 -1.210 1.00 0.00 N ATOM 138 CA GLY A 9 8.107 -7.652 0.016 1.00 0.00 C ATOM 139 C GLY A 9 6.718 -8.245 -0.061 1.00 0.00 C ATOM 140 O GLY A 9 6.144 -8.321 -1.149 1.00 0.00 O ATOM 0 H GLY A 9 7.762 -6.226 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.837 -8.442 0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.169 -6.965 0.860 1.00 0.00 H new ATOM 144 N GLU A 10 6.162 -8.642 1.078 1.00 0.00 N ATOM 145 CA GLU A 10 4.828 -9.241 1.109 1.00 0.00 C ATOM 146 C GLU A 10 3.769 -8.225 0.694 1.00 0.00 C ATOM 147 O GLU A 10 3.383 -7.375 1.493 1.00 0.00 O ATOM 148 CB GLU A 10 4.499 -9.757 2.508 1.00 0.00 C ATOM 149 CG GLU A 10 5.535 -10.707 3.080 1.00 0.00 C ATOM 150 CD GLU A 10 5.129 -11.240 4.436 1.00 0.00 C ATOM 151 OE1 GLU A 10 5.199 -10.479 5.426 1.00 0.00 O ATOM 152 OE2 GLU A 10 4.736 -12.420 4.520 1.00 0.00 O ATOM 0 H GLU A 10 6.610 -8.561 1.991 1.00 0.00 H new ATOM 0 HA GLU A 10 4.825 -10.074 0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.392 -8.906 3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.534 -10.264 2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.682 -11.540 2.392 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.492 -10.191 3.165 1.00 0.00 H new ATOM 159 N ASN A 11 3.333 -8.301 -0.564 1.00 0.00 N ATOM 160 CA ASN A 11 2.306 -7.400 -1.098 1.00 0.00 C ATOM 161 C ASN A 11 2.744 -5.938 -1.035 1.00 0.00 C ATOM 162 O ASN A 11 1.923 -5.028 -1.167 1.00 0.00 O ATOM 163 CB ASN A 11 0.979 -7.577 -0.348 1.00 0.00 C ATOM 164 CG ASN A 11 0.218 -8.812 -0.784 1.00 0.00 C ATOM 165 OD1 ASN A 11 0.423 -9.905 -0.259 1.00 0.00 O ATOM 166 ND2 ASN A 11 -0.678 -8.639 -1.741 1.00 0.00 N ATOM 0 H ASN A 11 3.678 -8.983 -1.239 1.00 0.00 H new ATOM 0 HA ASN A 11 2.163 -7.667 -2.145 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.177 -7.637 0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.356 -6.697 -0.508 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.231 -9.430 -2.071 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.816 -7.715 -2.149 1.00 0.00 H new ATOM 173 N LYS A 12 4.039 -5.714 -0.859 1.00 0.00 N ATOM 174 CA LYS A 12 4.562 -4.364 -0.741 1.00 0.00 C ATOM 175 C LYS A 12 5.730 -4.143 -1.692 1.00 0.00 C ATOM 176 O LYS A 12 6.569 -5.024 -1.880 1.00 0.00 O ATOM 177 CB LYS A 12 5.010 -4.067 0.700 1.00 0.00 C ATOM 178 CG LYS A 12 6.150 -4.949 1.189 1.00 0.00 C ATOM 179 CD LYS A 12 6.899 -4.319 2.359 1.00 0.00 C ATOM 180 CE LYS A 12 6.049 -4.237 3.619 1.00 0.00 C ATOM 181 NZ LYS A 12 5.668 -5.581 4.125 1.00 0.00 N ATOM 0 H LYS A 12 4.743 -6.449 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 12 3.755 -3.681 -1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.318 -3.023 0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.157 -4.190 1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.754 -5.918 1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.845 -5.131 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.797 -4.901 2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.226 -3.318 2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.599 -3.702 4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.148 -3.660 3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.285 -5.494 5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.946 -5.995 3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.506 -6.197 4.140 1.00 0.00 H new ATOM 195 N PHE A 13 5.758 -2.974 -2.301 1.00 0.00 N ATOM 196 CA PHE A 13 6.913 -2.528 -3.059 1.00 0.00 C ATOM 197 C PHE A 13 7.542 -1.354 -2.330 1.00 0.00 C ATOM 198 O PHE A 13 6.915 -0.306 -2.181 1.00 0.00 O ATOM 199 CB PHE A 13 6.518 -2.112 -4.479 1.00 0.00 C ATOM 200 CG PHE A 13 6.141 -3.258 -5.376 1.00 0.00 C ATOM 201 CD1 PHE A 13 6.953 -4.376 -5.472 1.00 0.00 C ATOM 202 CD2 PHE A 13 4.985 -3.208 -6.137 1.00 0.00 C ATOM 203 CE1 PHE A 13 6.619 -5.422 -6.309 1.00 0.00 C ATOM 204 CE2 PHE A 13 4.644 -4.254 -6.975 1.00 0.00 C ATOM 205 CZ PHE A 13 5.464 -5.361 -7.061 1.00 0.00 C ATOM 0 H PHE A 13 4.985 -2.308 -2.285 1.00 0.00 H new ATOM 0 HA PHE A 13 7.625 -3.349 -3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.679 -1.419 -4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.349 -1.570 -4.931 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.858 -4.430 -4.885 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.342 -2.342 -6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.262 -6.288 -6.375 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.738 -4.205 -7.561 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.202 -6.178 -7.716 1.00 0.00 H new ATOM 215 N TYR A 14 8.758 -1.528 -1.843 1.00 0.00 N ATOM 216 CA TYR A 14 9.399 -0.477 -1.072 1.00 0.00 C ATOM 217 C TYR A 14 10.711 -0.045 -1.710 1.00 0.00 C ATOM 218 O TYR A 14 11.574 -0.866 -2.038 1.00 0.00 O ATOM 219 CB TYR A 14 9.604 -0.904 0.394 1.00 0.00 C ATOM 220 CG TYR A 14 10.519 -2.095 0.605 1.00 0.00 C ATOM 221 CD1 TYR A 14 10.054 -3.396 0.447 1.00 0.00 C ATOM 222 CD2 TYR A 14 11.845 -1.915 0.979 1.00 0.00 C ATOM 223 CE1 TYR A 14 10.887 -4.482 0.652 1.00 0.00 C ATOM 224 CE2 TYR A 14 12.682 -2.994 1.187 1.00 0.00 C ATOM 225 CZ TYR A 14 12.201 -4.275 1.023 1.00 0.00 C ATOM 226 OH TYR A 14 13.037 -5.349 1.229 1.00 0.00 O ATOM 0 H TYR A 14 9.315 -2.374 -1.965 1.00 0.00 H new ATOM 0 HA TYR A 14 8.732 0.385 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.006 -0.056 0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.630 -1.135 0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.026 -3.562 0.160 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.228 -0.914 1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.511 -5.486 0.522 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.710 -2.834 1.477 1.00 0.00 H new ATOM 0 HH TYR A 14 13.927 -5.027 1.484 1.00 0.00 H new ATOM 236 N ILE A 15 10.836 1.253 -1.914 1.00 0.00 N ATOM 237 CA ILE A 15 12.060 1.826 -2.431 1.00 0.00 C ATOM 238 C ILE A 15 12.948 2.262 -1.278 1.00 0.00 C ATOM 239 O ILE A 15 12.513 2.972 -0.365 1.00 0.00 O ATOM 240 CB ILE A 15 11.783 3.014 -3.380 1.00 0.00 C ATOM 241 CG1 ILE A 15 11.120 2.502 -4.661 1.00 0.00 C ATOM 242 CG2 ILE A 15 13.073 3.764 -3.708 1.00 0.00 C ATOM 243 CD1 ILE A 15 10.842 3.579 -5.687 1.00 0.00 C ATOM 0 H ILE A 15 10.098 1.932 -1.727 1.00 0.00 H new ATOM 0 HA ILE A 15 12.572 1.060 -3.014 1.00 0.00 H new ATOM 0 HB ILE A 15 11.110 3.712 -2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.761 1.744 -5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.182 2.012 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.851 4.595 -4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 15 13.515 4.147 -2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 15 13.775 3.086 -4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.372 3.134 -6.564 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.175 4.327 -5.258 1.00 0.00 H new ATOM 0 HD13 ILE A 15 11.779 4.054 -5.979 1.00 0.00 H new ATOM 255 N GLY A 16 14.184 1.807 -1.320 1.00 0.00 N ATOM 256 CA GLY A 16 15.119 2.066 -0.256 1.00 0.00 C ATOM 257 C GLY A 16 16.212 1.029 -0.257 1.00 0.00 C ATOM 258 O GLY A 16 16.585 0.525 -1.317 1.00 0.00 O ATOM 0 H GLY A 16 14.562 1.252 -2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.551 3.060 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.601 2.057 0.703 1.00 0.00 H new ATOM 262 N ASP A 17 16.705 0.676 0.912 1.00 0.00 N ATOM 263 CA ASP A 17 17.772 -0.314 0.998 1.00 0.00 C ATOM 264 C ASP A 17 17.483 -1.343 2.086 1.00 0.00 C ATOM 265 O ASP A 17 17.777 -2.525 1.931 1.00 0.00 O ATOM 266 CB ASP A 17 19.113 0.373 1.250 1.00 0.00 C ATOM 267 CG ASP A 17 20.279 -0.589 1.159 1.00 0.00 C ATOM 268 OD1 ASP A 17 20.332 -1.373 0.189 1.00 0.00 O ATOM 269 OD2 ASP A 17 21.160 -0.544 2.041 1.00 0.00 O ATOM 0 H ASP A 17 16.393 1.051 1.808 1.00 0.00 H new ATOM 0 HA ASP A 17 17.823 -0.842 0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 17 19.249 1.175 0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.102 0.835 2.237 1.00 0.00 H new ATOM 274 N ASP A 18 16.877 -0.891 3.172 1.00 0.00 N ATOM 275 CA ASP A 18 16.542 -1.769 4.291 1.00 0.00 C ATOM 276 C ASP A 18 15.043 -1.694 4.549 1.00 0.00 C ATOM 277 O ASP A 18 14.369 -0.824 3.997 1.00 0.00 O ATOM 278 CB ASP A 18 17.323 -1.339 5.543 1.00 0.00 C ATOM 279 CG ASP A 18 17.175 -2.292 6.716 1.00 0.00 C ATOM 280 OD1 ASP A 18 17.967 -3.249 6.813 1.00 0.00 O ATOM 281 OD2 ASP A 18 16.279 -2.072 7.552 1.00 0.00 O ATOM 0 H ASP A 18 16.604 0.083 3.306 1.00 0.00 H new ATOM 0 HA ASP A 18 16.815 -2.796 4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 18 18.379 -1.252 5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.986 -0.348 5.847 1.00 0.00 H new ATOM 286 N GLU A 19 14.521 -2.596 5.373 1.00 0.00 N ATOM 287 CA GLU A 19 13.112 -2.561 5.742 1.00 0.00 C ATOM 288 C GLU A 19 12.837 -1.345 6.619 1.00 0.00 C ATOM 289 O GLU A 19 11.736 -0.797 6.616 1.00 0.00 O ATOM 290 CB GLU A 19 12.712 -3.845 6.470 1.00 0.00 C ATOM 291 CG GLU A 19 12.900 -5.100 5.632 1.00 0.00 C ATOM 292 CD GLU A 19 12.431 -6.356 6.339 1.00 0.00 C ATOM 293 OE1 GLU A 19 13.236 -6.966 7.078 1.00 0.00 O ATOM 294 OE2 GLU A 19 11.262 -6.750 6.149 1.00 0.00 O ATOM 0 H GLU A 19 15.051 -3.358 5.797 1.00 0.00 H new ATOM 0 HA GLU A 19 12.514 -2.486 4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.302 -3.935 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.667 -3.772 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.354 -4.991 4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.954 -5.205 5.376 1.00 0.00 H new ATOM 301 N ASN A 20 13.855 -0.929 7.362 1.00 0.00 N ATOM 302 CA ASN A 20 13.779 0.281 8.170 1.00 0.00 C ATOM 303 C ASN A 20 14.108 1.489 7.305 1.00 0.00 C ATOM 304 O ASN A 20 13.552 2.574 7.481 1.00 0.00 O ATOM 305 CB ASN A 20 14.756 0.211 9.347 1.00 0.00 C ATOM 306 CG ASN A 20 14.470 -0.947 10.284 1.00 0.00 C ATOM 307 OD1 ASN A 20 13.722 -0.808 11.251 1.00 0.00 O ATOM 308 ND2 ASN A 20 15.069 -2.097 10.009 1.00 0.00 N ATOM 0 H ASN A 20 14.749 -1.416 7.421 1.00 0.00 H new ATOM 0 HA ASN A 20 12.767 0.373 8.565 1.00 0.00 H new ATOM 0 HB2 ASN A 20 15.772 0.119 8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 20 14.710 1.145 9.907 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.917 -2.908 10.609 1.00 0.00 H new ATOM 0 HD22 ASN A 20 15.682 -2.171 9.197 1.00 0.00 H new ATOM 315 N ASN A 21 15.000 1.275 6.342 1.00 0.00 N ATOM 316 CA ASN A 21 15.423 2.329 5.425 1.00 0.00 C ATOM 317 C ASN A 21 14.505 2.382 4.213 1.00 0.00 C ATOM 318 O ASN A 21 14.953 2.616 3.088 1.00 0.00 O ATOM 319 CB ASN A 21 16.872 2.109 4.969 1.00 0.00 C ATOM 320 CG ASN A 21 17.877 2.381 6.068 1.00 0.00 C ATOM 321 OD1 ASN A 21 17.643 3.205 6.949 1.00 0.00 O ATOM 322 ND2 ASN A 21 19.007 1.696 6.021 1.00 0.00 N ATOM 0 H ASN A 21 15.447 0.373 6.176 1.00 0.00 H new ATOM 0 HA ASN A 21 15.365 3.278 5.957 1.00 0.00 H new ATOM 0 HB2 ASN A 21 16.988 1.082 4.622 1.00 0.00 H new ATOM 0 HB3 ASN A 21 17.084 2.758 4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 21 19.722 1.843 6.733 1.00 0.00 H new ATOM 0 HD22 ASN A 21 19.163 1.021 5.273 1.00 0.00 H new ATOM 329 N ALA A 22 13.222 2.149 4.446 1.00 0.00 N ATOM 330 CA ALA A 22 12.222 2.278 3.402 1.00 0.00 C ATOM 331 C ALA A 22 11.804 3.733 3.273 1.00 0.00 C ATOM 332 O ALA A 22 11.156 4.285 4.165 1.00 0.00 O ATOM 333 CB ALA A 22 11.018 1.394 3.703 1.00 0.00 C ATOM 0 H ALA A 22 12.850 1.869 5.353 1.00 0.00 H new ATOM 0 HA ALA A 22 12.650 1.949 2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.279 1.504 2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.336 0.353 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.577 1.692 4.654 1.00 0.00 H new ATOM 339 N LEU A 23 12.204 4.358 2.176 1.00 0.00 N ATOM 340 CA LEU A 23 11.904 5.762 1.941 1.00 0.00 C ATOM 341 C LEU A 23 10.526 5.908 1.313 1.00 0.00 C ATOM 342 O LEU A 23 9.908 6.973 1.373 1.00 0.00 O ATOM 343 CB LEU A 23 12.967 6.382 1.030 1.00 0.00 C ATOM 344 CG LEU A 23 14.401 6.319 1.563 1.00 0.00 C ATOM 345 CD1 LEU A 23 15.375 6.871 0.535 1.00 0.00 C ATOM 346 CD2 LEU A 23 14.522 7.089 2.870 1.00 0.00 C ATOM 0 H LEU A 23 12.740 3.912 1.431 1.00 0.00 H new ATOM 0 HA LEU A 23 11.910 6.286 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.933 5.878 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.708 7.426 0.854 1.00 0.00 H new ATOM 0 HG LEU A 23 14.649 5.275 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.389 6.819 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 23 15.311 6.282 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 23 15.124 7.909 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.548 7.032 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.253 8.132 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.851 6.655 3.611 1.00 0.00 H new ATOM 358 N ALA A 24 10.057 4.831 0.702 1.00 0.00 N ATOM 359 CA ALA A 24 8.748 4.819 0.080 1.00 0.00 C ATOM 360 C ALA A 24 8.221 3.397 -0.042 1.00 0.00 C ATOM 361 O ALA A 24 8.709 2.625 -0.865 1.00 0.00 O ATOM 362 CB ALA A 24 8.810 5.472 -1.293 1.00 0.00 C ATOM 0 H ALA A 24 10.568 3.952 0.625 1.00 0.00 H new ATOM 0 HA ALA A 24 8.065 5.387 0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.820 5.456 -1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.146 6.504 -1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.509 4.924 -1.925 1.00 0.00 H new ATOM 368 N GLU A 25 7.244 3.038 0.778 1.00 0.00 N ATOM 369 CA GLU A 25 6.638 1.721 0.666 1.00 0.00 C ATOM 370 C GLU A 25 5.185 1.842 0.212 1.00 0.00 C ATOM 371 O GLU A 25 4.407 2.635 0.755 1.00 0.00 O ATOM 372 CB GLU A 25 6.742 0.920 1.981 1.00 0.00 C ATOM 373 CG GLU A 25 5.718 1.275 3.057 1.00 0.00 C ATOM 374 CD GLU A 25 6.107 2.464 3.913 1.00 0.00 C ATOM 375 OE1 GLU A 25 6.959 2.297 4.810 1.00 0.00 O ATOM 376 OE2 GLU A 25 5.527 3.552 3.731 1.00 0.00 O ATOM 0 H GLU A 25 6.860 3.629 1.515 1.00 0.00 H new ATOM 0 HA GLU A 25 7.196 1.165 -0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.643 -0.140 1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.740 1.064 2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.761 1.483 2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.570 0.409 3.702 1.00 0.00 H new ATOM 383 N ILE A 26 4.837 1.086 -0.814 1.00 0.00 N ATOM 384 CA ILE A 26 3.475 1.061 -1.310 1.00 0.00 C ATOM 385 C ILE A 26 2.934 -0.368 -1.265 1.00 0.00 C ATOM 386 O ILE A 26 3.552 -1.299 -1.787 1.00 0.00 O ATOM 387 CB ILE A 26 3.378 1.648 -2.745 1.00 0.00 C ATOM 388 CG1 ILE A 26 1.923 1.681 -3.217 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.239 0.855 -3.720 1.00 0.00 C ATOM 390 CD1 ILE A 26 1.727 2.396 -4.541 1.00 0.00 C ATOM 0 H ILE A 26 5.482 0.480 -1.321 1.00 0.00 H new ATOM 0 HA ILE A 26 2.864 1.692 -0.665 1.00 0.00 H new ATOM 0 HB ILE A 26 3.755 2.670 -2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.557 0.658 -3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.315 2.170 -2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.152 1.287 -4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.280 0.891 -3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.902 -0.181 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.671 2.379 -4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.062 3.429 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.307 1.894 -5.315 1.00 0.00 H new ATOM 402 N THR A 27 1.806 -0.543 -0.600 1.00 0.00 N ATOM 403 CA THR A 27 1.220 -1.861 -0.435 1.00 0.00 C ATOM 404 C THR A 27 -0.036 -2.014 -1.280 1.00 0.00 C ATOM 405 O THR A 27 -0.836 -1.084 -1.393 1.00 0.00 O ATOM 406 CB THR A 27 0.876 -2.136 1.044 1.00 0.00 C ATOM 407 OG1 THR A 27 0.051 -1.087 1.569 1.00 0.00 O ATOM 408 CG2 THR A 27 2.136 -2.252 1.883 1.00 0.00 C ATOM 0 H THR A 27 1.277 0.213 -0.165 1.00 0.00 H new ATOM 0 HA THR A 27 1.963 -2.586 -0.768 1.00 0.00 H new ATOM 0 HB THR A 27 0.334 -3.081 1.089 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.161 -1.276 2.507 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.865 -2.446 2.921 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.748 -3.072 1.508 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.700 -1.321 1.823 1.00 0.00 H new ATOM 416 N TYR A 28 -0.199 -3.182 -1.881 1.00 0.00 N ATOM 417 CA TYR A 28 -1.394 -3.479 -2.653 1.00 0.00 C ATOM 418 C TYR A 28 -1.980 -4.811 -2.205 1.00 0.00 C ATOM 419 O TYR A 28 -1.274 -5.819 -2.123 1.00 0.00 O ATOM 420 CB TYR A 28 -1.097 -3.486 -4.161 1.00 0.00 C ATOM 421 CG TYR A 28 -0.081 -4.519 -4.606 1.00 0.00 C ATOM 422 CD1 TYR A 28 1.282 -4.297 -4.448 1.00 0.00 C ATOM 423 CD2 TYR A 28 -0.487 -5.715 -5.190 1.00 0.00 C ATOM 424 CE1 TYR A 28 2.208 -5.234 -4.859 1.00 0.00 C ATOM 425 CE2 TYR A 28 0.435 -6.656 -5.601 1.00 0.00 C ATOM 426 CZ TYR A 28 1.780 -6.411 -5.433 1.00 0.00 C ATOM 427 OH TYR A 28 2.701 -7.345 -5.844 1.00 0.00 O ATOM 0 H TYR A 28 0.482 -3.940 -1.849 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.128 -2.694 -2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.029 -3.659 -4.699 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.740 -2.498 -4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.622 -3.377 -3.996 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.541 -5.910 -5.324 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.264 -5.045 -4.731 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.104 -7.580 -6.052 1.00 0.00 H new ATOM 0 HH TYR A 28 3.501 -6.890 -6.180 1.00 0.00 H new ATOM 437 N ARG A 29 -3.257 -4.806 -1.873 1.00 0.00 N ATOM 438 CA ARG A 29 -3.922 -6.010 -1.410 1.00 0.00 C ATOM 439 C ARG A 29 -4.987 -6.430 -2.413 1.00 0.00 C ATOM 440 O ARG A 29 -5.319 -5.674 -3.324 1.00 0.00 O ATOM 441 CB ARG A 29 -4.547 -5.783 -0.029 1.00 0.00 C ATOM 442 CG ARG A 29 -4.694 -7.063 0.779 1.00 0.00 C ATOM 443 CD ARG A 29 -3.334 -7.643 1.129 1.00 0.00 C ATOM 444 NE ARG A 29 -3.390 -9.081 1.369 1.00 0.00 N ATOM 445 CZ ARG A 29 -2.403 -9.779 1.927 1.00 0.00 C ATOM 446 NH1 ARG A 29 -1.337 -9.160 2.419 1.00 0.00 N ATOM 447 NH2 ARG A 29 -2.495 -11.097 2.022 1.00 0.00 N ATOM 0 H ARG A 29 -3.855 -3.981 -1.915 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.184 -6.808 -1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.932 -5.077 0.529 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.528 -5.324 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.253 -6.859 1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.269 -7.793 0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.635 -7.439 0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.946 -7.144 2.017 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.235 -9.581 1.093 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.270 -8.143 2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.585 -9.701 2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.322 -11.577 1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.739 -11.632 2.449 1.00 0.00 H new ATOM 461 N PHE A 30 -5.509 -7.634 -2.254 1.00 0.00 N ATOM 462 CA PHE A 30 -6.520 -8.147 -3.162 1.00 0.00 C ATOM 463 C PHE A 30 -7.909 -8.009 -2.553 1.00 0.00 C ATOM 464 O PHE A 30 -8.231 -8.676 -1.568 1.00 0.00 O ATOM 465 CB PHE A 30 -6.250 -9.619 -3.496 1.00 0.00 C ATOM 466 CG PHE A 30 -4.954 -9.859 -4.219 1.00 0.00 C ATOM 467 CD1 PHE A 30 -3.772 -10.028 -3.515 1.00 0.00 C ATOM 468 CD2 PHE A 30 -4.920 -9.918 -5.603 1.00 0.00 C ATOM 469 CE1 PHE A 30 -2.580 -10.252 -4.179 1.00 0.00 C ATOM 470 CE2 PHE A 30 -3.732 -10.141 -6.273 1.00 0.00 C ATOM 471 CZ PHE A 30 -2.560 -10.307 -5.559 1.00 0.00 C ATOM 0 H PHE A 30 -5.249 -8.275 -1.504 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.475 -7.560 -4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.249 -10.196 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.069 -9.998 -4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.782 -9.984 -2.436 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.833 -9.788 -6.165 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.666 -10.384 -3.619 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.719 -10.185 -7.352 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.630 -10.480 -6.080 1.00 0.00 H new ATOM 481 N VAL A 31 -8.718 -7.125 -3.124 1.00 0.00 N ATOM 482 CA VAL A 31 -10.125 -7.032 -2.753 1.00 0.00 C ATOM 483 C VAL A 31 -10.922 -8.011 -3.598 1.00 0.00 C ATOM 484 O VAL A 31 -12.014 -8.449 -3.228 1.00 0.00 O ATOM 485 CB VAL A 31 -10.690 -5.605 -2.933 1.00 0.00 C ATOM 486 CG1 VAL A 31 -10.084 -4.661 -1.908 1.00 0.00 C ATOM 487 CG2 VAL A 31 -10.438 -5.093 -4.343 1.00 0.00 C ATOM 0 H VAL A 31 -8.425 -6.464 -3.844 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.210 -7.278 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.768 -5.645 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.493 -3.660 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.322 -5.012 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.002 -4.632 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.845 -4.087 -4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.365 -5.071 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.922 -5.754 -5.062 1.00 0.00 H new ATOM 497 N ASP A 32 -10.346 -8.351 -4.736 1.00 0.00 N ATOM 498 CA ASP A 32 -10.889 -9.354 -5.625 1.00 0.00 C ATOM 499 C ASP A 32 -9.732 -10.173 -6.176 1.00 0.00 C ATOM 500 O ASP A 32 -8.576 -9.762 -6.065 1.00 0.00 O ATOM 501 CB ASP A 32 -11.691 -8.696 -6.758 1.00 0.00 C ATOM 502 CG ASP A 32 -12.206 -9.697 -7.773 1.00 0.00 C ATOM 503 OD1 ASP A 32 -13.270 -10.306 -7.531 1.00 0.00 O ATOM 504 OD2 ASP A 32 -11.538 -9.899 -8.806 1.00 0.00 O ATOM 0 H ASP A 32 -9.478 -7.932 -5.070 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.575 -10.005 -5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.534 -8.152 -6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.062 -7.964 -7.264 1.00 0.00 H new ATOM 509 N ASN A 33 -10.034 -11.321 -6.754 1.00 0.00 N ATOM 510 CA ASN A 33 -9.011 -12.233 -7.244 1.00 0.00 C ATOM 511 C ASN A 33 -8.225 -11.605 -8.396 1.00 0.00 C ATOM 512 O ASN A 33 -7.076 -11.970 -8.645 1.00 0.00 O ATOM 513 CB ASN A 33 -9.635 -13.559 -7.699 1.00 0.00 C ATOM 514 CG ASN A 33 -10.505 -14.216 -6.635 1.00 0.00 C ATOM 515 OD1 ASN A 33 -11.263 -13.554 -5.921 1.00 0.00 O ATOM 516 ND2 ASN A 33 -10.385 -15.526 -6.510 1.00 0.00 N ATOM 0 H ASN A 33 -10.989 -11.648 -6.898 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.324 -12.433 -6.422 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.236 -13.382 -8.591 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -8.839 -14.248 -7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.929 -16.023 -5.805 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.748 -16.040 -7.118 1.00 0.00 H new ATOM 523 N ASN A 34 -8.845 -10.658 -9.093 1.00 0.00 N ATOM 524 CA ASN A 34 -8.183 -9.970 -10.200 1.00 0.00 C ATOM 525 C ASN A 34 -8.250 -8.455 -10.038 1.00 0.00 C ATOM 526 O ASN A 34 -8.034 -7.715 -10.997 1.00 0.00 O ATOM 527 CB ASN A 34 -8.802 -10.372 -11.545 1.00 0.00 C ATOM 528 CG ASN A 34 -8.385 -11.761 -11.987 1.00 0.00 C ATOM 529 OD1 ASN A 34 -9.049 -12.752 -11.675 1.00 0.00 O ATOM 530 ND2 ASN A 34 -7.288 -11.847 -12.725 1.00 0.00 N ATOM 0 H ASN A 34 -9.800 -10.349 -8.913 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.136 -10.273 -10.185 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.888 -10.330 -11.468 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.509 -9.649 -12.306 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.966 -12.757 -13.056 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.766 -11.004 -12.962 1.00 0.00 H new ATOM 537 N GLU A 35 -8.532 -7.988 -8.830 1.00 0.00 N ATOM 538 CA GLU A 35 -8.624 -6.554 -8.576 1.00 0.00 C ATOM 539 C GLU A 35 -7.892 -6.196 -7.287 1.00 0.00 C ATOM 540 O GLU A 35 -8.200 -6.725 -6.213 1.00 0.00 O ATOM 541 CB GLU A 35 -10.091 -6.111 -8.518 1.00 0.00 C ATOM 542 CG GLU A 35 -10.912 -6.624 -9.695 1.00 0.00 C ATOM 543 CD GLU A 35 -12.297 -6.020 -9.789 1.00 0.00 C ATOM 544 OE1 GLU A 35 -12.985 -5.918 -8.759 1.00 0.00 O ATOM 545 OE2 GLU A 35 -12.706 -5.659 -10.917 1.00 0.00 O ATOM 0 H GLU A 35 -8.700 -8.576 -8.014 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.145 -6.022 -9.398 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.536 -6.466 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.136 -5.022 -8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.373 -6.416 -10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.004 -7.707 -9.616 1.00 0.00 H new ATOM 552 N ILE A 36 -6.919 -5.302 -7.402 1.00 0.00 N ATOM 553 CA ILE A 36 -6.056 -4.959 -6.281 1.00 0.00 C ATOM 554 C ILE A 36 -6.294 -3.528 -5.807 1.00 0.00 C ATOM 555 O ILE A 36 -6.672 -2.653 -6.589 1.00 0.00 O ATOM 556 CB ILE A 36 -4.563 -5.125 -6.639 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.192 -4.250 -7.843 1.00 0.00 C ATOM 558 CG2 ILE A 36 -4.249 -6.587 -6.915 1.00 0.00 C ATOM 559 CD1 ILE A 36 -2.721 -4.285 -8.198 1.00 0.00 C ATOM 0 H ILE A 36 -6.708 -4.800 -8.264 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.309 -5.650 -5.477 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.964 -4.797 -5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.772 -4.574 -8.707 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.481 -3.220 -7.634 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.194 -6.691 -7.166 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.471 -7.181 -6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.857 -6.939 -7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.539 -3.642 -9.059 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.134 -3.932 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.430 -5.307 -8.441 1.00 0.00 H new ATOM 571 N ASN A 37 -6.070 -3.304 -4.522 1.00 0.00 N ATOM 572 CA ASN A 37 -6.206 -1.980 -3.938 1.00 0.00 C ATOM 573 C ASN A 37 -4.891 -1.555 -3.300 1.00 0.00 C ATOM 574 O ASN A 37 -4.201 -2.363 -2.681 1.00 0.00 O ATOM 575 CB ASN A 37 -7.331 -1.958 -2.891 1.00 0.00 C ATOM 576 CG ASN A 37 -6.936 -2.616 -1.579 1.00 0.00 C ATOM 577 OD1 ASN A 37 -7.041 -3.832 -1.422 1.00 0.00 O ATOM 578 ND2 ASN A 37 -6.512 -1.808 -0.618 1.00 0.00 N ATOM 0 H ASN A 37 -5.791 -4.028 -3.860 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.462 -1.278 -4.732 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.621 -0.925 -2.700 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.207 -2.465 -3.296 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.258 -2.189 0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.439 -0.805 -0.790 1.00 0.00 H new ATOM 585 N ILE A 38 -4.531 -0.295 -3.474 1.00 0.00 N ATOM 586 CA ILE A 38 -3.345 0.247 -2.832 1.00 0.00 C ATOM 587 C ILE A 38 -3.704 0.755 -1.439 1.00 0.00 C ATOM 588 O ILE A 38 -4.351 1.796 -1.296 1.00 0.00 O ATOM 589 CB ILE A 38 -2.693 1.385 -3.662 1.00 0.00 C ATOM 590 CG1 ILE A 38 -2.012 0.835 -4.926 1.00 0.00 C ATOM 591 CG2 ILE A 38 -1.686 2.153 -2.820 1.00 0.00 C ATOM 592 CD1 ILE A 38 -2.969 0.371 -6.002 1.00 0.00 C ATOM 0 H ILE A 38 -5.042 0.371 -4.053 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.613 -0.557 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.487 2.064 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.366 1.608 -5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.370 0.001 -4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.240 2.946 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.190 2.590 -1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.905 1.474 -2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.403 -0.001 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.599 -0.427 -5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.595 1.206 -6.317 1.00 0.00 H new ATOM 604 N ASP A 39 -3.294 0.003 -0.425 1.00 0.00 N ATOM 605 CA ASP A 39 -3.620 0.324 0.963 1.00 0.00 C ATOM 606 C ASP A 39 -2.871 1.565 1.416 1.00 0.00 C ATOM 607 O ASP A 39 -3.469 2.607 1.687 1.00 0.00 O ATOM 608 CB ASP A 39 -3.260 -0.832 1.907 1.00 0.00 C ATOM 609 CG ASP A 39 -3.904 -2.149 1.531 1.00 0.00 C ATOM 610 OD1 ASP A 39 -5.132 -2.295 1.719 1.00 0.00 O ATOM 611 OD2 ASP A 39 -3.173 -3.052 1.067 1.00 0.00 O ATOM 0 H ASP A 39 -2.731 -0.840 -0.537 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.695 0.500 1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.177 -0.957 1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.560 -0.568 2.921 1.00 0.00 H new ATOM 616 N HIS A 40 -1.553 1.444 1.483 1.00 0.00 N ATOM 617 CA HIS A 40 -0.710 2.499 2.023 1.00 0.00 C ATOM 618 C HIS A 40 0.408 2.866 1.055 1.00 0.00 C ATOM 619 O HIS A 40 1.107 2.001 0.530 1.00 0.00 O ATOM 620 CB HIS A 40 -0.128 2.055 3.375 1.00 0.00 C ATOM 621 CG HIS A 40 0.998 2.909 3.888 1.00 0.00 C ATOM 622 ND1 HIS A 40 0.818 4.151 4.457 1.00 0.00 N ATOM 623 CD2 HIS A 40 2.333 2.682 3.911 1.00 0.00 C ATOM 624 CE1 HIS A 40 1.989 4.648 4.805 1.00 0.00 C ATOM 625 NE2 HIS A 40 2.925 3.775 4.484 1.00 0.00 N ATOM 0 H HIS A 40 -1.042 0.619 1.168 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.323 3.389 2.169 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.928 2.051 4.115 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.226 1.028 3.282 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.838 1.800 3.544 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.154 5.607 5.273 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.926 3.895 4.638 1.00 0.00 H new ATOM 634 N THR A 41 0.552 4.156 0.820 1.00 0.00 N ATOM 635 CA THR A 41 1.652 4.688 0.040 1.00 0.00 C ATOM 636 C THR A 41 2.437 5.683 0.883 1.00 0.00 C ATOM 637 O THR A 41 2.039 6.841 1.025 1.00 0.00 O ATOM 638 CB THR A 41 1.146 5.389 -1.232 1.00 0.00 C ATOM 639 OG1 THR A 41 0.219 4.541 -1.917 1.00 0.00 O ATOM 640 CG2 THR A 41 2.300 5.737 -2.161 1.00 0.00 C ATOM 0 H THR A 41 -0.093 4.867 1.166 1.00 0.00 H new ATOM 0 HA THR A 41 2.292 3.857 -0.256 1.00 0.00 H new ATOM 0 HB THR A 41 0.650 6.314 -0.936 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.261 4.721 -2.879 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.913 6.232 -3.052 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.992 6.404 -1.647 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.822 4.825 -2.450 1.00 0.00 H new ATOM 648 N GLY A 42 3.528 5.227 1.469 1.00 0.00 N ATOM 649 CA GLY A 42 4.295 6.075 2.351 1.00 0.00 C ATOM 650 C GLY A 42 5.592 6.523 1.726 1.00 0.00 C ATOM 651 O GLY A 42 6.563 5.777 1.710 1.00 0.00 O ATOM 0 H GLY A 42 3.897 4.284 1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.702 6.949 2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.506 5.538 3.276 1.00 0.00 H new ATOM 655 N VAL A 43 5.598 7.734 1.196 1.00 0.00 N ATOM 656 CA VAL A 43 6.786 8.287 0.568 1.00 0.00 C ATOM 657 C VAL A 43 7.258 9.517 1.336 1.00 0.00 C ATOM 658 O VAL A 43 6.480 10.449 1.549 1.00 0.00 O ATOM 659 CB VAL A 43 6.510 8.694 -0.899 1.00 0.00 C ATOM 660 CG1 VAL A 43 7.792 9.125 -1.594 1.00 0.00 C ATOM 661 CG2 VAL A 43 5.838 7.564 -1.665 1.00 0.00 C ATOM 0 H VAL A 43 4.789 8.356 1.188 1.00 0.00 H new ATOM 0 HA VAL A 43 7.555 7.515 0.582 1.00 0.00 H new ATOM 0 HB VAL A 43 5.828 9.544 -0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.571 9.406 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.221 9.978 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.504 8.300 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.656 7.879 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.486 6.687 -1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.890 7.315 -1.189 1.00 0.00 H new ATOM 671 N SER A 44 8.512 9.517 1.771 1.00 0.00 N ATOM 672 CA SER A 44 9.076 10.684 2.431 1.00 0.00 C ATOM 673 C SER A 44 9.255 11.816 1.427 1.00 0.00 C ATOM 674 O SER A 44 9.928 11.665 0.403 1.00 0.00 O ATOM 675 CB SER A 44 10.418 10.349 3.072 1.00 0.00 C ATOM 676 OG SER A 44 10.333 9.171 3.859 1.00 0.00 O ATOM 0 H SER A 44 9.152 8.728 1.679 1.00 0.00 H new ATOM 0 HA SER A 44 8.386 11.000 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.172 10.217 2.296 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.744 11.182 3.694 1.00 0.00 H new ATOM 0 HG SER A 44 11.208 8.979 4.256 1.00 0.00 H new ATOM 682 N ASP A 45 8.669 12.955 1.731 1.00 0.00 N ATOM 683 CA ASP A 45 8.665 14.081 0.807 1.00 0.00 C ATOM 684 C ASP A 45 9.848 15.005 1.065 1.00 0.00 C ATOM 685 O ASP A 45 9.757 16.214 0.877 1.00 0.00 O ATOM 686 CB ASP A 45 7.345 14.859 0.904 1.00 0.00 C ATOM 687 CG ASP A 45 7.117 15.502 2.260 1.00 0.00 C ATOM 688 OD1 ASP A 45 6.843 14.768 3.233 1.00 0.00 O ATOM 689 OD2 ASP A 45 7.193 16.746 2.352 1.00 0.00 O ATOM 0 H ASP A 45 8.187 13.131 2.612 1.00 0.00 H new ATOM 0 HA ASP A 45 8.759 13.684 -0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.332 15.634 0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.518 14.183 0.688 1.00 0.00 H new ATOM 694 N GLU A 46 10.975 14.411 1.441 1.00 0.00 N ATOM 695 CA GLU A 46 12.200 15.158 1.720 1.00 0.00 C ATOM 696 C GLU A 46 12.591 16.048 0.538 1.00 0.00 C ATOM 697 O GLU A 46 13.142 17.132 0.719 1.00 0.00 O ATOM 698 CB GLU A 46 13.344 14.188 2.027 1.00 0.00 C ATOM 699 CG GLU A 46 13.049 13.232 3.173 1.00 0.00 C ATOM 700 CD GLU A 46 12.752 13.955 4.468 1.00 0.00 C ATOM 701 OE1 GLU A 46 13.707 14.355 5.162 1.00 0.00 O ATOM 702 OE2 GLU A 46 11.563 14.134 4.792 1.00 0.00 O ATOM 0 H GLU A 46 11.067 13.402 1.561 1.00 0.00 H new ATOM 0 HA GLU A 46 12.013 15.796 2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.566 13.608 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.240 14.761 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.199 12.604 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.902 12.569 3.318 1.00 0.00 H new ATOM 709 N LEU A 47 12.291 15.584 -0.668 1.00 0.00 N ATOM 710 CA LEU A 47 12.646 16.317 -1.878 1.00 0.00 C ATOM 711 C LEU A 47 11.491 17.196 -2.353 1.00 0.00 C ATOM 712 O LEU A 47 11.579 17.818 -3.411 1.00 0.00 O ATOM 713 CB LEU A 47 13.056 15.354 -3.004 1.00 0.00 C ATOM 714 CG LEU A 47 14.387 14.611 -2.804 1.00 0.00 C ATOM 715 CD1 LEU A 47 14.264 13.514 -1.754 1.00 0.00 C ATOM 716 CD2 LEU A 47 14.867 14.027 -4.124 1.00 0.00 C ATOM 0 H LEU A 47 11.803 14.704 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 47 13.493 16.957 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.265 14.614 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 47 13.114 15.918 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 47 15.121 15.333 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.224 13.011 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.969 13.954 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.511 12.792 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.810 13.504 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.122 13.328 -4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.013 14.831 -4.846 1.00 0.00 H new ATOM 728 N GLY A 48 10.422 17.255 -1.565 1.00 0.00 N ATOM 729 CA GLY A 48 9.248 18.016 -1.955 1.00 0.00 C ATOM 730 C GLY A 48 8.596 17.449 -3.197 1.00 0.00 C ATOM 731 O GLY A 48 8.069 18.188 -4.030 1.00 0.00 O ATOM 0 H GLY A 48 10.347 16.788 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.529 18.019 -1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.531 19.053 -2.135 1.00 0.00 H new ATOM 735 N GLY A 49 8.633 16.131 -3.321 1.00 0.00 N ATOM 736 CA GLY A 49 8.132 15.483 -4.512 1.00 0.00 C ATOM 737 C GLY A 49 9.260 15.020 -5.410 1.00 0.00 C ATOM 738 O GLY A 49 10.070 15.830 -5.865 1.00 0.00 O ATOM 0 H GLY A 49 9.003 15.497 -2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.516 14.629 -4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.490 16.173 -5.060 1.00 0.00 H new ATOM 742 N GLN A 50 9.327 13.719 -5.647 1.00 0.00 N ATOM 743 CA GLN A 50 10.382 13.138 -6.462 1.00 0.00 C ATOM 744 C GLN A 50 9.808 12.080 -7.403 1.00 0.00 C ATOM 745 O GLN A 50 8.648 11.687 -7.266 1.00 0.00 O ATOM 746 CB GLN A 50 11.476 12.526 -5.573 1.00 0.00 C ATOM 747 CG GLN A 50 11.013 11.353 -4.715 1.00 0.00 C ATOM 748 CD GLN A 50 10.211 11.760 -3.491 1.00 0.00 C ATOM 749 OE1 GLN A 50 8.994 11.914 -3.552 1.00 0.00 O ATOM 750 NE2 GLN A 50 10.892 11.916 -2.367 1.00 0.00 N ATOM 0 H GLN A 50 8.657 13.041 -5.283 1.00 0.00 H new ATOM 0 HA GLN A 50 10.829 13.931 -7.062 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.298 12.193 -6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.872 13.303 -4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.407 10.685 -5.328 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.886 10.786 -4.392 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.903 11.778 -2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.406 12.174 -1.508 1.00 0.00 H new ATOM 759 N GLY A 51 10.627 11.615 -8.343 1.00 0.00 N ATOM 760 CA GLY A 51 10.174 10.636 -9.321 1.00 0.00 C ATOM 761 C GLY A 51 9.891 9.274 -8.711 1.00 0.00 C ATOM 762 O GLY A 51 9.243 8.433 -9.337 1.00 0.00 O ATOM 0 H GLY A 51 11.601 11.899 -8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.270 11.006 -9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.931 10.530 -10.098 1.00 0.00 H new ATOM 766 N VAL A 52 10.373 9.066 -7.487 1.00 0.00 N ATOM 767 CA VAL A 52 10.152 7.823 -6.744 1.00 0.00 C ATOM 768 C VAL A 52 8.677 7.416 -6.744 1.00 0.00 C ATOM 769 O VAL A 52 8.352 6.230 -6.855 1.00 0.00 O ATOM 770 CB VAL A 52 10.653 7.971 -5.287 1.00 0.00 C ATOM 771 CG1 VAL A 52 10.229 6.794 -4.425 1.00 0.00 C ATOM 772 CG2 VAL A 52 12.164 8.116 -5.264 1.00 0.00 C ATOM 0 H VAL A 52 10.929 9.755 -6.980 1.00 0.00 H new ATOM 0 HA VAL A 52 10.718 7.039 -7.246 1.00 0.00 H new ATOM 0 HB VAL A 52 10.198 8.870 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.600 6.935 -3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.141 6.728 -4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.642 5.873 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.504 8.219 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.621 7.233 -5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.453 9.000 -5.832 1.00 0.00 H new ATOM 782 N GLY A 53 7.793 8.405 -6.654 1.00 0.00 N ATOM 783 CA GLY A 53 6.367 8.135 -6.622 1.00 0.00 C ATOM 784 C GLY A 53 5.879 7.401 -7.859 1.00 0.00 C ATOM 785 O GLY A 53 5.168 6.402 -7.754 1.00 0.00 O ATOM 0 H GLY A 53 8.041 9.393 -6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.134 7.542 -5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.826 9.076 -6.526 1.00 0.00 H new ATOM 789 N LYS A 54 6.280 7.875 -9.033 1.00 0.00 N ATOM 790 CA LYS A 54 5.823 7.285 -10.286 1.00 0.00 C ATOM 791 C LYS A 54 6.547 5.969 -10.569 1.00 0.00 C ATOM 792 O LYS A 54 6.013 5.098 -11.257 1.00 0.00 O ATOM 793 CB LYS A 54 5.996 8.273 -11.450 1.00 0.00 C ATOM 794 CG LYS A 54 5.637 7.690 -12.811 1.00 0.00 C ATOM 795 CD LYS A 54 5.370 8.773 -13.846 1.00 0.00 C ATOM 796 CE LYS A 54 4.012 9.425 -13.629 1.00 0.00 C ATOM 797 NZ LYS A 54 3.696 10.419 -14.688 1.00 0.00 N ATOM 0 H LYS A 54 6.918 8.663 -9.144 1.00 0.00 H new ATOM 0 HA LYS A 54 4.760 7.065 -10.187 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.375 9.149 -11.265 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.031 8.615 -11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.450 7.051 -13.157 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.754 7.058 -12.713 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.152 9.531 -13.792 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.413 8.341 -14.846 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.239 8.656 -13.611 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.997 9.915 -12.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.677 10.625 -14.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.228 11.295 -14.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.962 10.033 -15.617 1.00 0.00 H new ATOM 811 N LYS A 55 7.751 5.819 -10.023 1.00 0.00 N ATOM 812 CA LYS A 55 8.485 4.560 -10.136 1.00 0.00 C ATOM 813 C LYS A 55 7.660 3.428 -9.535 1.00 0.00 C ATOM 814 O LYS A 55 7.507 2.363 -10.139 1.00 0.00 O ATOM 815 CB LYS A 55 9.838 4.646 -9.421 1.00 0.00 C ATOM 816 CG LYS A 55 10.775 5.702 -9.988 1.00 0.00 C ATOM 817 CD LYS A 55 12.031 5.844 -9.137 1.00 0.00 C ATOM 818 CE LYS A 55 13.262 5.253 -9.816 1.00 0.00 C ATOM 819 NZ LYS A 55 13.142 3.791 -10.052 1.00 0.00 N ATOM 0 H LYS A 55 8.237 6.548 -9.501 1.00 0.00 H new ATOM 0 HA LYS A 55 8.666 4.363 -11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.666 4.857 -8.366 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.328 3.674 -9.476 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.053 5.435 -11.008 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.258 6.660 -10.039 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.207 6.899 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.875 5.349 -8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.424 5.758 -10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.140 5.446 -9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.892 3.482 -10.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.236 3.285 -9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.213 3.582 -10.471 1.00 0.00 H new ATOM 833 N LEU A 56 7.111 3.685 -8.352 1.00 0.00 N ATOM 834 CA LEU A 56 6.268 2.720 -7.661 1.00 0.00 C ATOM 835 C LEU A 56 5.035 2.384 -8.492 1.00 0.00 C ATOM 836 O LEU A 56 4.717 1.212 -8.700 1.00 0.00 O ATOM 837 CB LEU A 56 5.837 3.270 -6.296 1.00 0.00 C ATOM 838 CG LEU A 56 6.961 3.436 -5.271 1.00 0.00 C ATOM 839 CD1 LEU A 56 6.445 4.128 -4.020 1.00 0.00 C ATOM 840 CD2 LEU A 56 7.560 2.084 -4.917 1.00 0.00 C ATOM 0 H LEU A 56 7.238 4.563 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 56 6.849 1.809 -7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.360 4.239 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.082 2.605 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 56 7.740 4.057 -5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.258 4.237 -3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.058 5.113 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.648 3.531 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.358 2.219 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.787 1.443 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.966 1.619 -5.816 1.00 0.00 H new ATOM 852 N LEU A 57 4.354 3.419 -8.973 1.00 0.00 N ATOM 853 CA LEU A 57 3.143 3.239 -9.770 1.00 0.00 C ATOM 854 C LEU A 57 3.413 2.421 -11.022 1.00 0.00 C ATOM 855 O LEU A 57 2.644 1.522 -11.353 1.00 0.00 O ATOM 856 CB LEU A 57 2.531 4.586 -10.159 1.00 0.00 C ATOM 857 CG LEU A 57 1.462 5.123 -9.202 1.00 0.00 C ATOM 858 CD1 LEU A 57 2.060 5.492 -7.855 1.00 0.00 C ATOM 859 CD2 LEU A 57 0.759 6.318 -9.821 1.00 0.00 C ATOM 0 H LEU A 57 4.619 4.393 -8.825 1.00 0.00 H new ATOM 0 HA LEU A 57 2.433 2.694 -9.147 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.332 5.322 -10.232 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.092 4.493 -11.152 1.00 0.00 H new ATOM 0 HG LEU A 57 0.731 4.333 -9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.275 5.870 -7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.515 4.610 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.819 6.262 -7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.001 6.691 -9.132 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.487 7.105 -10.021 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.284 6.017 -10.755 1.00 0.00 H new ATOM 871 N LYS A 58 4.510 2.723 -11.709 1.00 0.00 N ATOM 872 CA LYS A 58 4.856 2.019 -12.938 1.00 0.00 C ATOM 873 C LYS A 58 4.971 0.521 -12.679 1.00 0.00 C ATOM 874 O LYS A 58 4.486 -0.293 -13.463 1.00 0.00 O ATOM 875 CB LYS A 58 6.176 2.542 -13.515 1.00 0.00 C ATOM 876 CG LYS A 58 6.439 2.072 -14.940 1.00 0.00 C ATOM 877 CD LYS A 58 7.813 1.434 -15.095 1.00 0.00 C ATOM 878 CE LYS A 58 7.905 0.111 -14.345 1.00 0.00 C ATOM 879 NZ LYS A 58 9.214 -0.559 -14.556 1.00 0.00 N ATOM 0 H LYS A 58 5.173 3.449 -11.436 1.00 0.00 H new ATOM 0 HA LYS A 58 4.061 2.199 -13.661 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.167 3.632 -13.495 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.997 2.219 -12.876 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.673 1.353 -15.230 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.356 2.919 -15.621 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.021 1.269 -16.152 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.576 2.118 -14.723 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.756 0.287 -13.280 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.103 -0.549 -14.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.234 -1.455 -14.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.346 -0.751 -15.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.979 0.059 -14.218 1.00 0.00 H new ATOM 893 N ALA A 59 5.608 0.169 -11.565 1.00 0.00 N ATOM 894 CA ALA A 59 5.792 -1.228 -11.191 1.00 0.00 C ATOM 895 C ALA A 59 4.454 -1.888 -10.874 1.00 0.00 C ATOM 896 O ALA A 59 4.195 -3.019 -11.288 1.00 0.00 O ATOM 897 CB ALA A 59 6.735 -1.333 -10.000 1.00 0.00 C ATOM 0 H ALA A 59 6.006 0.836 -10.904 1.00 0.00 H new ATOM 0 HA ALA A 59 6.235 -1.754 -12.037 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.865 -2.381 -9.730 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.702 -0.904 -10.262 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.314 -0.790 -9.154 1.00 0.00 H new ATOM 903 N VAL A 60 3.604 -1.170 -10.148 1.00 0.00 N ATOM 904 CA VAL A 60 2.284 -1.676 -9.791 1.00 0.00 C ATOM 905 C VAL A 60 1.430 -1.890 -11.038 1.00 0.00 C ATOM 906 O VAL A 60 0.841 -2.953 -11.216 1.00 0.00 O ATOM 907 CB VAL A 60 1.552 -0.726 -8.815 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.145 -1.231 -8.521 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.340 -0.580 -7.522 1.00 0.00 C ATOM 0 H VAL A 60 3.806 -0.235 -9.795 1.00 0.00 H new ATOM 0 HA VAL A 60 2.433 -2.632 -9.290 1.00 0.00 H new ATOM 0 HB VAL A 60 1.474 0.252 -9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.351 -0.547 -7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.423 -1.286 -9.450 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.201 -2.222 -8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.810 0.092 -6.847 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.449 -1.557 -7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.326 -0.171 -7.741 1.00 0.00 H new ATOM 919 N VAL A 61 1.389 -0.883 -11.906 1.00 0.00 N ATOM 920 CA VAL A 61 0.613 -0.960 -13.140 1.00 0.00 C ATOM 921 C VAL A 61 1.139 -2.078 -14.042 1.00 0.00 C ATOM 922 O VAL A 61 0.362 -2.800 -14.670 1.00 0.00 O ATOM 923 CB VAL A 61 0.637 0.382 -13.910 1.00 0.00 C ATOM 924 CG1 VAL A 61 -0.099 0.265 -15.238 1.00 0.00 C ATOM 925 CG2 VAL A 61 0.037 1.495 -13.063 1.00 0.00 C ATOM 0 H VAL A 61 1.886 -0.002 -11.777 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.418 -1.179 -12.860 1.00 0.00 H new ATOM 0 HB VAL A 61 1.677 0.630 -14.122 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.066 1.223 -15.758 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.379 -0.498 -15.853 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.137 -0.013 -15.055 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.063 2.431 -13.621 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.995 1.248 -12.816 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.614 1.604 -12.145 1.00 0.00 H new ATOM 935 N GLU A 62 2.461 -2.227 -14.082 1.00 0.00 N ATOM 936 CA GLU A 62 3.095 -3.262 -14.883 1.00 0.00 C ATOM 937 C GLU A 62 2.664 -4.640 -14.390 1.00 0.00 C ATOM 938 O GLU A 62 2.249 -5.494 -15.170 1.00 0.00 O ATOM 939 CB GLU A 62 4.614 -3.129 -14.793 1.00 0.00 C ATOM 940 CG GLU A 62 5.358 -3.901 -15.863 1.00 0.00 C ATOM 941 CD GLU A 62 5.095 -3.354 -17.247 1.00 0.00 C ATOM 942 OE1 GLU A 62 5.741 -2.354 -17.627 1.00 0.00 O ATOM 943 OE2 GLU A 62 4.240 -3.912 -17.961 1.00 0.00 O ATOM 0 H GLU A 62 3.114 -1.639 -13.565 1.00 0.00 H new ATOM 0 HA GLU A 62 2.788 -3.146 -15.922 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.882 -2.075 -14.865 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.943 -3.475 -13.813 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.428 -3.865 -15.657 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.061 -4.949 -15.826 1.00 0.00 H new ATOM 950 N HIS A 63 2.744 -4.831 -13.077 1.00 0.00 N ATOM 951 CA HIS A 63 2.362 -6.093 -12.452 1.00 0.00 C ATOM 952 C HIS A 63 0.852 -6.304 -12.538 1.00 0.00 C ATOM 953 O HIS A 63 0.371 -7.437 -12.537 1.00 0.00 O ATOM 954 CB HIS A 63 2.829 -6.103 -10.993 1.00 0.00 C ATOM 955 CG HIS A 63 2.623 -7.407 -10.279 1.00 0.00 C ATOM 956 ND1 HIS A 63 3.108 -8.611 -10.743 1.00 0.00 N ATOM 957 CD2 HIS A 63 2.003 -7.681 -9.109 1.00 0.00 C ATOM 958 CE1 HIS A 63 2.799 -9.567 -9.888 1.00 0.00 C ATOM 959 NE2 HIS A 63 2.126 -9.030 -8.886 1.00 0.00 N ATOM 0 H HIS A 63 3.072 -4.122 -12.421 1.00 0.00 H new ATOM 0 HA HIS A 63 2.843 -6.913 -12.985 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.889 -5.851 -10.963 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.300 -5.319 -10.451 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.625 -8.742 -11.612 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.503 -6.970 -8.468 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.053 -10.612 -9.990 1.00 0.00 H new ATOM 968 N ALA A 64 0.112 -5.209 -12.614 1.00 0.00 N ATOM 969 CA ALA A 64 -1.330 -5.275 -12.774 1.00 0.00 C ATOM 970 C ALA A 64 -1.692 -5.826 -14.147 1.00 0.00 C ATOM 971 O ALA A 64 -2.425 -6.802 -14.251 1.00 0.00 O ATOM 972 CB ALA A 64 -1.954 -3.908 -12.571 1.00 0.00 C ATOM 0 H ALA A 64 0.488 -4.262 -12.567 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.726 -5.950 -12.016 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.035 -3.979 -12.695 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.727 -3.550 -11.567 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.550 -3.211 -13.305 1.00 0.00 H new ATOM 978 N ARG A 65 -1.162 -5.209 -15.199 1.00 0.00 N ATOM 979 CA ARG A 65 -1.428 -5.672 -16.559 1.00 0.00 C ATOM 980 C ARG A 65 -0.890 -7.090 -16.738 1.00 0.00 C ATOM 981 O ARG A 65 -1.483 -7.912 -17.435 1.00 0.00 O ATOM 982 CB ARG A 65 -0.785 -4.745 -17.596 1.00 0.00 C ATOM 983 CG ARG A 65 -1.225 -3.294 -17.499 1.00 0.00 C ATOM 984 CD ARG A 65 -0.606 -2.450 -18.604 1.00 0.00 C ATOM 985 NE ARG A 65 0.855 -2.549 -18.625 1.00 0.00 N ATOM 986 CZ ARG A 65 1.657 -1.647 -19.197 1.00 0.00 C ATOM 987 NH1 ARG A 65 1.139 -0.603 -19.833 1.00 0.00 N ATOM 988 NH2 ARG A 65 2.977 -1.800 -19.149 1.00 0.00 N ATOM 0 H ARG A 65 -0.551 -4.394 -15.139 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.507 -5.664 -16.714 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.298 -4.792 -17.485 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.020 -5.117 -18.593 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.312 -3.237 -17.561 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.940 -2.890 -16.528 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.004 -2.768 -19.568 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.896 -1.408 -18.468 1.00 0.00 H new ATOM 0 HE ARG A 65 1.287 -3.356 -18.175 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.127 -0.489 -19.885 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.753 0.085 -20.269 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.380 -2.608 -18.674 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.587 -1.109 -19.587 1.00 0.00 H new ATOM 1002 N GLU A 66 0.233 -7.354 -16.080 1.00 0.00 N ATOM 1003 CA GLU A 66 0.891 -8.657 -16.115 1.00 0.00 C ATOM 1004 C GLU A 66 -0.065 -9.791 -15.739 1.00 0.00 C ATOM 1005 O GLU A 66 -0.137 -10.805 -16.433 1.00 0.00 O ATOM 1006 CB GLU A 66 2.090 -8.633 -15.159 1.00 0.00 C ATOM 1007 CG GLU A 66 2.839 -9.951 -15.038 1.00 0.00 C ATOM 1008 CD GLU A 66 3.981 -9.873 -14.041 1.00 0.00 C ATOM 1009 OE1 GLU A 66 3.978 -8.958 -13.190 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.896 -10.717 -14.105 1.00 0.00 O ATOM 0 H GLU A 66 0.717 -6.666 -15.503 1.00 0.00 H new ATOM 0 HA GLU A 66 1.226 -8.848 -17.135 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.787 -7.865 -15.493 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.741 -8.338 -14.169 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.145 -10.734 -14.732 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.231 -10.235 -16.015 1.00 0.00 H new ATOM 1017 N ASN A 67 -0.805 -9.615 -14.648 1.00 0.00 N ATOM 1018 CA ASN A 67 -1.682 -10.674 -14.145 1.00 0.00 C ATOM 1019 C ASN A 67 -3.150 -10.362 -14.425 1.00 0.00 C ATOM 1020 O ASN A 67 -4.039 -11.073 -13.950 1.00 0.00 O ATOM 1021 CB ASN A 67 -1.477 -10.880 -12.637 1.00 0.00 C ATOM 1022 CG ASN A 67 -0.055 -11.268 -12.264 1.00 0.00 C ATOM 1023 OD1 ASN A 67 0.402 -10.984 -11.158 1.00 0.00 O ATOM 1024 ND2 ASN A 67 0.659 -11.915 -13.174 1.00 0.00 N ATOM 0 H ASN A 67 -0.817 -8.757 -14.097 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.417 -11.591 -14.671 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.743 -9.962 -12.114 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.160 -11.655 -12.288 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.618 -12.193 -12.967 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.249 -12.135 -14.082 1.00 0.00 H new ATOM 1031 N ASN A 68 -3.390 -9.320 -15.220 1.00 0.00 N ATOM 1032 CA ASN A 68 -4.745 -8.840 -15.511 1.00 0.00 C ATOM 1033 C ASN A 68 -5.449 -8.438 -14.219 1.00 0.00 C ATOM 1034 O ASN A 68 -6.367 -9.115 -13.746 1.00 0.00 O ATOM 1035 CB ASN A 68 -5.564 -9.899 -16.268 1.00 0.00 C ATOM 1036 CG ASN A 68 -6.915 -9.383 -16.746 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -6.963 -8.131 -17.179 1.00 0.00 O flip ATOM 1038 ND2 ASN A 68 -7.903 -10.121 -16.762 1.00 0.00 N flip ATOM 0 H ASN A 68 -2.654 -8.784 -15.681 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.663 -7.964 -16.155 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.990 -10.247 -17.127 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.720 -10.761 -15.619 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.829 -11.079 -16.421 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.794 -9.773 -17.117 1.00 0.00 H new ATOM 1045 N LEU A 69 -4.982 -7.345 -13.633 1.00 0.00 N ATOM 1046 CA LEU A 69 -5.511 -6.860 -12.372 1.00 0.00 C ATOM 1047 C LEU A 69 -6.046 -5.441 -12.527 1.00 0.00 C ATOM 1048 O LEU A 69 -5.449 -4.616 -13.220 1.00 0.00 O ATOM 1049 CB LEU A 69 -4.420 -6.879 -11.294 1.00 0.00 C ATOM 1050 CG LEU A 69 -3.728 -8.226 -11.075 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -2.594 -8.077 -10.074 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -4.721 -9.271 -10.592 1.00 0.00 C ATOM 0 H LEU A 69 -4.230 -6.774 -14.018 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.327 -7.517 -12.071 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.663 -6.140 -11.557 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.862 -6.561 -10.350 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.317 -8.559 -12.028 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.110 -9.042 -9.927 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.866 -7.360 -10.453 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.992 -7.722 -9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.207 -10.220 -10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.162 -8.946 -9.650 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.507 -9.397 -11.336 1.00 0.00 H new ATOM 1064 N LYS A 70 -7.180 -5.173 -11.895 1.00 0.00 N ATOM 1065 CA LYS A 70 -7.742 -3.827 -11.861 1.00 0.00 C ATOM 1066 C LYS A 70 -7.119 -3.054 -10.703 1.00 0.00 C ATOM 1067 O LYS A 70 -6.822 -3.639 -9.660 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.269 -3.862 -11.700 1.00 0.00 C ATOM 1069 CG LYS A 70 -10.030 -4.436 -12.895 1.00 0.00 C ATOM 1070 CD LYS A 70 -9.908 -5.950 -12.982 1.00 0.00 C ATOM 1071 CE LYS A 70 -10.816 -6.532 -14.054 1.00 0.00 C ATOM 1072 NZ LYS A 70 -12.256 -6.291 -13.763 1.00 0.00 N ATOM 0 H LYS A 70 -7.732 -5.871 -11.397 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.516 -3.334 -12.806 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.513 -4.451 -10.816 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.623 -2.848 -11.515 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.082 -4.162 -12.819 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.650 -3.989 -13.814 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.874 -6.219 -13.197 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.158 -6.390 -12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.564 -6.093 -15.019 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.638 -7.604 -14.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.806 -7.138 -14.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.375 -6.082 -12.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.593 -5.484 -14.325 1.00 0.00 H new ATOM 1086 N ILE A 71 -6.918 -1.754 -10.877 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.230 -0.955 -9.870 1.00 0.00 C ATOM 1088 C ILE A 71 -7.148 0.078 -9.221 1.00 0.00 C ATOM 1089 O ILE A 71 -7.724 0.937 -9.894 1.00 0.00 O ATOM 1090 CB ILE A 71 -5.008 -0.226 -10.469 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -4.006 -1.237 -11.028 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -4.345 0.662 -9.423 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -2.792 -0.595 -11.664 1.00 0.00 C ATOM 0 H ILE A 71 -7.219 -1.233 -11.700 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.900 -1.658 -9.105 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.352 0.408 -11.286 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.679 -1.896 -10.223 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.506 -1.862 -11.768 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.486 1.167 -9.866 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.060 1.405 -9.070 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.014 0.050 -8.584 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.124 -1.371 -12.039 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.108 0.042 -12.490 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.268 0.007 -10.922 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.289 -0.030 -7.908 1.00 0.00 N ATOM 1106 CA ILE A 72 -7.916 1.012 -7.106 1.00 0.00 C ATOM 1107 C ILE A 72 -6.982 1.390 -5.963 1.00 0.00 C ATOM 1108 O ILE A 72 -6.206 0.560 -5.497 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.287 0.579 -6.537 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.168 -0.747 -5.782 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.319 0.476 -7.650 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -10.457 -1.201 -5.130 1.00 0.00 C ATOM 0 H ILE A 72 -6.974 -0.838 -7.370 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.096 1.868 -7.756 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.620 1.340 -5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.831 -1.519 -6.474 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.400 -0.649 -5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.277 0.170 -7.230 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.428 1.446 -8.136 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.992 -0.262 -8.383 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.291 -2.147 -4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.786 -0.450 -4.412 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -11.224 -1.333 -5.893 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.031 2.635 -5.518 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.119 3.094 -4.479 1.00 0.00 C ATOM 1126 C ALA A 73 -6.876 3.725 -3.322 1.00 0.00 C ATOM 1127 O ALA A 73 -7.800 4.509 -3.527 1.00 0.00 O ATOM 1128 CB ALA A 73 -5.114 4.078 -5.058 1.00 0.00 C ATOM 0 H ALA A 73 -7.685 3.341 -5.855 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.582 2.228 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.438 4.413 -4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.540 3.590 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.643 4.936 -5.472 1.00 0.00 H new ATOM 1134 N SER A 74 -6.484 3.368 -2.107 1.00 0.00 N ATOM 1135 CA SER A 74 -7.097 3.919 -0.909 1.00 0.00 C ATOM 1136 C SER A 74 -6.440 5.248 -0.537 1.00 0.00 C ATOM 1137 O SER A 74 -7.120 6.216 -0.193 1.00 0.00 O ATOM 1138 CB SER A 74 -6.971 2.917 0.241 1.00 0.00 C ATOM 1139 OG SER A 74 -7.409 1.627 -0.163 1.00 0.00 O ATOM 0 H SER A 74 -5.739 2.695 -1.926 1.00 0.00 H new ATOM 0 HA SER A 74 -8.154 4.105 -1.102 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.934 2.866 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.562 3.257 1.092 1.00 0.00 H new ATOM 0 HG SER A 74 -7.319 1.001 0.586 1.00 0.00 H new ATOM 1145 N CYS A 75 -5.113 5.292 -0.626 1.00 0.00 N ATOM 1146 CA CYS A 75 -4.366 6.511 -0.332 1.00 0.00 C ATOM 1147 C CYS A 75 -4.720 7.622 -1.314 1.00 0.00 C ATOM 1148 O CYS A 75 -4.610 7.452 -2.530 1.00 0.00 O ATOM 1149 CB CYS A 75 -2.863 6.242 -0.368 1.00 0.00 C ATOM 1150 SG CYS A 75 -2.283 5.175 0.964 1.00 0.00 S ATOM 0 H CYS A 75 -4.534 4.498 -0.899 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.643 6.837 0.671 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -2.608 5.785 -1.324 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -2.332 7.192 -0.317 1.00 0.00 H new ATOM 0 HG CYS A 75 -3.102 4.175 1.107 1.00 0.00 H new ATOM 1156 N SER A 76 -5.131 8.759 -0.768 1.00 0.00 N ATOM 1157 CA SER A 76 -5.555 9.906 -1.561 1.00 0.00 C ATOM 1158 C SER A 76 -4.439 10.388 -2.482 1.00 0.00 C ATOM 1159 O SER A 76 -4.690 10.775 -3.625 1.00 0.00 O ATOM 1160 CB SER A 76 -5.974 11.037 -0.624 1.00 0.00 C ATOM 1161 OG SER A 76 -6.782 10.541 0.435 1.00 0.00 O ATOM 0 H SER A 76 -5.180 8.912 0.239 1.00 0.00 H new ATOM 0 HA SER A 76 -6.397 9.603 -2.184 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.088 11.523 -0.215 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.524 11.794 -1.183 1.00 0.00 H new ATOM 0 HG SER A 76 -7.038 11.280 1.025 1.00 0.00 H new ATOM 1167 N PHE A 77 -3.207 10.348 -1.975 1.00 0.00 N ATOM 1168 CA PHE A 77 -2.045 10.814 -2.722 1.00 0.00 C ATOM 1169 C PHE A 77 -1.851 9.998 -4.000 1.00 0.00 C ATOM 1170 O PHE A 77 -1.538 10.544 -5.059 1.00 0.00 O ATOM 1171 CB PHE A 77 -0.796 10.724 -1.840 1.00 0.00 C ATOM 1172 CG PHE A 77 0.456 11.244 -2.488 1.00 0.00 C ATOM 1173 CD1 PHE A 77 0.668 12.608 -2.619 1.00 0.00 C ATOM 1174 CD2 PHE A 77 1.423 10.370 -2.962 1.00 0.00 C ATOM 1175 CE1 PHE A 77 1.820 13.090 -3.211 1.00 0.00 C ATOM 1176 CE2 PHE A 77 2.578 10.847 -3.553 1.00 0.00 C ATOM 1177 CZ PHE A 77 2.777 12.209 -3.679 1.00 0.00 C ATOM 0 H PHE A 77 -2.990 9.995 -1.043 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.210 11.852 -3.009 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.974 11.281 -0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.639 9.683 -1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.075 13.301 -2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.272 9.305 -2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.973 14.155 -3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.324 10.156 -3.916 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.678 12.584 -4.142 1.00 0.00 H new ATOM 1187 N ALA A 78 -2.059 8.692 -3.898 1.00 0.00 N ATOM 1188 CA ALA A 78 -1.866 7.802 -5.032 1.00 0.00 C ATOM 1189 C ALA A 78 -3.105 7.761 -5.918 1.00 0.00 C ATOM 1190 O ALA A 78 -3.004 7.789 -7.141 1.00 0.00 O ATOM 1191 CB ALA A 78 -1.513 6.402 -4.554 1.00 0.00 C ATOM 0 H ALA A 78 -2.361 8.227 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.039 8.191 -5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.372 5.748 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.593 6.438 -3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.321 6.015 -3.933 1.00 0.00 H new ATOM 1197 N LYS A 79 -4.275 7.710 -5.291 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.538 7.604 -6.016 1.00 0.00 C ATOM 1199 C LYS A 79 -5.733 8.775 -6.977 1.00 0.00 C ATOM 1200 O LYS A 79 -6.016 8.581 -8.160 1.00 0.00 O ATOM 1201 CB LYS A 79 -6.705 7.546 -5.029 1.00 0.00 C ATOM 1202 CG LYS A 79 -8.070 7.477 -5.693 1.00 0.00 C ATOM 1203 CD LYS A 79 -9.186 7.395 -4.665 1.00 0.00 C ATOM 1204 CE LYS A 79 -10.554 7.393 -5.326 1.00 0.00 C ATOM 1205 NZ LYS A 79 -10.856 8.692 -5.982 1.00 0.00 N ATOM 0 H LYS A 79 -4.376 7.740 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.509 6.686 -6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.581 6.675 -4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.669 8.426 -4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.216 8.357 -6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.113 6.607 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.067 6.490 -4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.113 8.239 -3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.598 6.594 -6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.318 7.178 -4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.798 8.649 -6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.839 9.452 -5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.142 8.886 -6.713 1.00 0.00 H new ATOM 1219 N HIS A 80 -5.551 9.989 -6.467 1.00 0.00 N ATOM 1220 CA HIS A 80 -5.774 11.191 -7.260 1.00 0.00 C ATOM 1221 C HIS A 80 -4.716 11.325 -8.356 1.00 0.00 C ATOM 1222 O HIS A 80 -4.887 12.083 -9.312 1.00 0.00 O ATOM 1223 CB HIS A 80 -5.786 12.432 -6.359 1.00 0.00 C ATOM 1224 CG HIS A 80 -6.196 13.692 -7.063 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -7.477 13.919 -7.516 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -5.485 14.800 -7.384 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -7.536 15.111 -8.078 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -6.342 15.667 -8.014 1.00 0.00 N ATOM 0 H HIS A 80 -5.250 10.166 -5.509 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.748 11.107 -7.743 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.465 12.256 -5.525 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.791 12.571 -5.936 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -8.257 13.268 -7.430 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -4.438 14.969 -7.182 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -8.416 15.557 -8.517 1.00 0.00 H new ATOM 1237 N MET A 81 -3.625 10.581 -8.218 1.00 0.00 N ATOM 1238 CA MET A 81 -2.562 10.604 -9.213 1.00 0.00 C ATOM 1239 C MET A 81 -3.028 9.908 -10.490 1.00 0.00 C ATOM 1240 O MET A 81 -2.760 10.380 -11.594 1.00 0.00 O ATOM 1241 CB MET A 81 -1.295 9.932 -8.671 1.00 0.00 C ATOM 1242 CG MET A 81 -0.029 10.324 -9.418 1.00 0.00 C ATOM 1243 SD MET A 81 1.439 9.450 -8.827 1.00 0.00 S ATOM 1244 CE MET A 81 1.346 9.758 -7.066 1.00 0.00 C ATOM 0 H MET A 81 -3.454 9.957 -7.430 1.00 0.00 H new ATOM 0 HA MET A 81 -2.324 11.643 -9.442 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.180 10.189 -7.618 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.417 8.850 -8.723 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.163 10.121 -10.480 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.129 11.398 -9.316 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.352 9.779 -6.647 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.859 10.717 -6.890 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.770 8.966 -6.588 1.00 0.00 H new ATOM 1254 N LEU A 82 -3.755 8.802 -10.334 1.00 0.00 N ATOM 1255 CA LEU A 82 -4.291 8.071 -11.482 1.00 0.00 C ATOM 1256 C LEU A 82 -5.517 8.780 -12.044 1.00 0.00 C ATOM 1257 O LEU A 82 -5.871 8.600 -13.209 1.00 0.00 O ATOM 1258 CB LEU A 82 -4.655 6.625 -11.115 1.00 0.00 C ATOM 1259 CG LEU A 82 -3.474 5.665 -10.940 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -2.775 5.897 -9.612 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -3.943 4.222 -11.057 1.00 0.00 C ATOM 0 H LEU A 82 -3.986 8.394 -9.428 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.509 8.044 -12.241 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.228 6.639 -10.188 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.311 6.227 -11.890 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.754 5.861 -11.735 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.941 5.202 -9.514 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.402 6.920 -9.571 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.480 5.735 -8.797 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.093 3.552 -10.931 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.685 4.017 -10.285 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.388 4.062 -12.039 1.00 0.00 H new ATOM 1273 N GLU A 83 -6.175 9.570 -11.203 1.00 0.00 N ATOM 1274 CA GLU A 83 -7.274 10.417 -11.653 1.00 0.00 C ATOM 1275 C GLU A 83 -6.759 11.441 -12.656 1.00 0.00 C ATOM 1276 O GLU A 83 -7.411 11.735 -13.660 1.00 0.00 O ATOM 1277 CB GLU A 83 -7.913 11.139 -10.467 1.00 0.00 C ATOM 1278 CG GLU A 83 -8.624 10.215 -9.494 1.00 0.00 C ATOM 1279 CD GLU A 83 -9.073 10.934 -8.239 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -9.305 12.161 -8.299 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -9.187 10.277 -7.186 1.00 0.00 O ATOM 0 H GLU A 83 -5.967 9.642 -10.207 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.026 9.787 -12.129 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.140 11.690 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.626 11.873 -10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.490 9.772 -9.985 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.958 9.396 -9.222 1.00 0.00 H new ATOM 1288 N LYS A 84 -5.574 11.965 -12.372 1.00 0.00 N ATOM 1289 CA LYS A 84 -4.939 12.956 -13.228 1.00 0.00 C ATOM 1290 C LYS A 84 -4.287 12.282 -14.431 1.00 0.00 C ATOM 1291 O LYS A 84 -4.492 12.694 -15.573 1.00 0.00 O ATOM 1292 CB LYS A 84 -3.892 13.736 -12.428 1.00 0.00 C ATOM 1293 CG LYS A 84 -3.178 14.813 -13.230 1.00 0.00 C ATOM 1294 CD LYS A 84 -2.027 15.414 -12.439 1.00 0.00 C ATOM 1295 CE LYS A 84 -1.292 16.481 -13.234 1.00 0.00 C ATOM 1296 NZ LYS A 84 -0.821 15.968 -14.545 1.00 0.00 N ATOM 0 H LYS A 84 -5.029 11.716 -11.546 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.700 13.647 -13.591 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.377 14.199 -11.568 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.152 13.037 -12.038 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.801 14.388 -14.160 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.885 15.597 -13.501 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.409 15.848 -11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.329 14.626 -12.157 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.952 17.334 -13.394 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.440 16.841 -12.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.119 16.624 -14.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.386 15.032 -14.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.628 15.887 -15.196 1.00 0.00 H new ATOM 1310 N GLU A 85 -3.513 11.236 -14.166 1.00 0.00 N ATOM 1311 CA GLU A 85 -2.781 10.537 -15.213 1.00 0.00 C ATOM 1312 C GLU A 85 -3.735 9.715 -16.076 1.00 0.00 C ATOM 1313 O GLU A 85 -4.103 8.593 -15.719 1.00 0.00 O ATOM 1314 CB GLU A 85 -1.719 9.625 -14.597 1.00 0.00 C ATOM 1315 CG GLU A 85 -0.540 9.349 -15.512 1.00 0.00 C ATOM 1316 CD GLU A 85 0.296 10.587 -15.752 1.00 0.00 C ATOM 1317 OE1 GLU A 85 1.141 10.913 -14.895 1.00 0.00 O ATOM 1318 OE2 GLU A 85 0.112 11.245 -16.796 1.00 0.00 O ATOM 0 H GLU A 85 -3.377 10.853 -13.231 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.290 11.279 -15.843 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.353 10.080 -13.676 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.183 8.678 -14.322 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.084 8.570 -15.074 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.904 8.967 -16.466 1.00 0.00 H new ATOM 1325 N ASP A 86 -4.130 10.275 -17.211 1.00 0.00 N ATOM 1326 CA ASP A 86 -5.104 9.634 -18.090 1.00 0.00 C ATOM 1327 C ASP A 86 -4.536 8.365 -18.722 1.00 0.00 C ATOM 1328 O ASP A 86 -5.284 7.501 -19.177 1.00 0.00 O ATOM 1329 CB ASP A 86 -5.578 10.609 -19.176 1.00 0.00 C ATOM 1330 CG ASP A 86 -4.491 10.983 -20.164 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -3.523 11.663 -19.765 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -4.610 10.609 -21.351 1.00 0.00 O ATOM 0 H ASP A 86 -3.790 11.176 -17.548 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.961 9.348 -17.480 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.412 10.162 -19.717 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.955 11.515 -18.701 1.00 0.00 H new ATOM 1337 N SER A 87 -3.216 8.243 -18.728 1.00 0.00 N ATOM 1338 CA SER A 87 -2.561 7.043 -19.234 1.00 0.00 C ATOM 1339 C SER A 87 -2.874 5.832 -18.352 1.00 0.00 C ATOM 1340 O SER A 87 -2.813 4.690 -18.805 1.00 0.00 O ATOM 1341 CB SER A 87 -1.049 7.257 -19.309 1.00 0.00 C ATOM 1342 OG SER A 87 -0.725 8.341 -20.165 1.00 0.00 O ATOM 0 H SER A 87 -2.576 8.961 -18.388 1.00 0.00 H new ATOM 0 HA SER A 87 -2.945 6.846 -20.235 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.657 7.449 -18.310 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.568 6.348 -19.671 1.00 0.00 H new ATOM 0 HG SER A 87 0.248 8.456 -20.193 1.00 0.00 H new ATOM 1348 N TYR A 88 -3.227 6.087 -17.094 1.00 0.00 N ATOM 1349 CA TYR A 88 -3.546 5.012 -16.161 1.00 0.00 C ATOM 1350 C TYR A 88 -5.055 4.867 -15.991 1.00 0.00 C ATOM 1351 O TYR A 88 -5.522 4.108 -15.144 1.00 0.00 O ATOM 1352 CB TYR A 88 -2.899 5.261 -14.795 1.00 0.00 C ATOM 1353 CG TYR A 88 -1.383 5.258 -14.811 1.00 0.00 C ATOM 1354 CD1 TYR A 88 -0.670 4.359 -15.599 1.00 0.00 C ATOM 1355 CD2 TYR A 88 -0.665 6.153 -14.031 1.00 0.00 C ATOM 1356 CE1 TYR A 88 0.714 4.358 -15.607 1.00 0.00 C ATOM 1357 CE2 TYR A 88 0.717 6.157 -14.036 1.00 0.00 C ATOM 1358 CZ TYR A 88 1.402 5.258 -14.824 1.00 0.00 C ATOM 1359 OH TYR A 88 2.778 5.260 -14.830 1.00 0.00 O ATOM 0 H TYR A 88 -3.299 7.025 -16.700 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.146 4.088 -16.579 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.244 6.221 -14.412 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.245 4.497 -14.098 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.205 3.651 -16.214 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.195 6.859 -13.409 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.252 3.654 -16.225 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.259 6.863 -13.424 1.00 0.00 H new ATOM 0 HH TYR A 88 3.107 5.957 -14.224 1.00 0.00 H new ATOM 1369 N GLN A 89 -5.818 5.581 -16.813 1.00 0.00 N ATOM 1370 CA GLN A 89 -7.274 5.555 -16.729 1.00 0.00 C ATOM 1371 C GLN A 89 -7.809 4.168 -17.093 1.00 0.00 C ATOM 1372 O GLN A 89 -8.896 3.772 -16.668 1.00 0.00 O ATOM 1373 CB GLN A 89 -7.861 6.609 -17.670 1.00 0.00 C ATOM 1374 CG GLN A 89 -9.252 7.084 -17.284 1.00 0.00 C ATOM 1375 CD GLN A 89 -9.247 8.125 -16.171 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -8.254 8.070 -15.294 1.00 0.00 O flip ATOM 1377 NE2 GLN A 89 -10.127 8.983 -16.108 1.00 0.00 N flip ATOM 0 H GLN A 89 -5.450 6.186 -17.547 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.572 5.779 -15.705 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.191 7.468 -17.698 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.896 6.199 -18.679 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.742 7.504 -18.163 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.846 6.227 -16.967 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.877 8.996 -16.799 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.107 9.681 -15.364 1.00 0.00 H new ATOM 1386 N ASP A 90 -7.026 3.440 -17.880 1.00 0.00 N ATOM 1387 CA ASP A 90 -7.382 2.089 -18.302 1.00 0.00 C ATOM 1388 C ASP A 90 -7.429 1.130 -17.120 1.00 0.00 C ATOM 1389 O ASP A 90 -8.391 0.385 -16.958 1.00 0.00 O ATOM 1390 CB ASP A 90 -6.379 1.567 -19.331 1.00 0.00 C ATOM 1391 CG ASP A 90 -6.483 2.276 -20.663 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -6.213 3.495 -20.717 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -6.834 1.619 -21.665 1.00 0.00 O ATOM 0 H ASP A 90 -6.130 3.767 -18.243 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.374 2.141 -18.750 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.369 1.686 -18.939 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.540 0.499 -19.479 1.00 0.00 H new ATOM 1398 N VAL A 91 -6.391 1.160 -16.295 1.00 0.00 N ATOM 1399 CA VAL A 91 -6.285 0.233 -15.173 1.00 0.00 C ATOM 1400 C VAL A 91 -7.032 0.748 -13.947 1.00 0.00 C ATOM 1401 O VAL A 91 -7.390 -0.025 -13.060 1.00 0.00 O ATOM 1402 CB VAL A 91 -4.812 -0.052 -14.802 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -4.132 -0.855 -15.901 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -4.058 1.246 -14.540 1.00 0.00 C ATOM 0 H VAL A 91 -5.612 1.813 -16.380 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.747 -0.699 -15.498 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.799 -0.642 -13.885 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.096 -1.047 -15.623 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.653 -1.803 -16.035 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.159 -0.291 -16.834 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.024 1.020 -14.281 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.080 1.867 -15.436 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.530 1.781 -13.716 1.00 0.00 H new ATOM 1414 N TYR A 92 -7.262 2.055 -13.901 1.00 0.00 N ATOM 1415 CA TYR A 92 -8.008 2.659 -12.806 1.00 0.00 C ATOM 1416 C TYR A 92 -9.504 2.437 -13.003 1.00 0.00 C ATOM 1417 O TYR A 92 -10.003 2.486 -14.130 1.00 0.00 O ATOM 1418 CB TYR A 92 -7.700 4.160 -12.712 1.00 0.00 C ATOM 1419 CG TYR A 92 -8.429 4.869 -11.593 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -8.089 4.644 -10.265 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -9.461 5.760 -11.864 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -8.756 5.283 -9.239 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -10.134 6.404 -10.842 1.00 0.00 C ATOM 1424 CZ TYR A 92 -9.777 6.161 -9.531 1.00 0.00 C ATOM 1425 OH TYR A 92 -10.447 6.797 -8.510 1.00 0.00 O ATOM 0 H TYR A 92 -6.942 2.716 -14.609 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.703 2.184 -11.873 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.627 4.292 -12.574 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.960 4.634 -13.659 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.289 3.957 -10.031 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.742 5.952 -12.889 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.479 5.096 -8.212 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.934 7.093 -11.068 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.137 7.383 -8.886 1.00 0.00 H new ATOM 1435 N LEU A 93 -10.210 2.189 -11.911 1.00 0.00 N ATOM 1436 CA LEU A 93 -11.648 1.982 -11.956 1.00 0.00 C ATOM 1437 C LEU A 93 -12.375 3.235 -11.489 1.00 0.00 C ATOM 1438 O LEU A 93 -12.476 3.499 -10.290 1.00 0.00 O ATOM 1439 CB LEU A 93 -12.053 0.791 -11.083 1.00 0.00 C ATOM 1440 CG LEU A 93 -11.439 -0.553 -11.483 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -11.918 -1.651 -10.547 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -11.787 -0.890 -12.926 1.00 0.00 C ATOM 0 H LEU A 93 -9.806 2.126 -10.976 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.929 1.769 -12.987 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.774 1.006 -10.052 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -13.139 0.697 -11.107 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.355 -0.478 -11.402 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -11.474 -2.601 -10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -11.620 -1.414 -9.526 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.004 -1.726 -10.600 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -11.342 -1.849 -13.193 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -12.870 -0.949 -13.035 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -11.398 -0.114 -13.585 1.00 0.00 H new ATOM 1454 N GLY A 94 -12.836 4.020 -12.445 1.00 0.00 N ATOM 1455 CA GLY A 94 -13.608 5.206 -12.129 1.00 0.00 C ATOM 1456 C GLY A 94 -15.044 4.869 -11.779 1.00 0.00 C ATOM 1457 O GLY A 94 -15.593 3.878 -12.268 1.00 0.00 O ATOM 0 H GLY A 94 -12.690 3.859 -13.442 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.144 5.729 -11.293 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.592 5.887 -12.980 1.00 0.00 H new ATOM 1461 N LEU A 95 -15.653 5.692 -10.936 1.00 0.00 N ATOM 1462 CA LEU A 95 -17.027 5.470 -10.502 1.00 0.00 C ATOM 1463 C LEU A 95 -18.005 5.972 -11.556 1.00 0.00 C ATOM 1464 O LEU A 95 -19.150 5.515 -11.627 1.00 0.00 O ATOM 1465 CB LEU A 95 -17.285 6.173 -9.165 1.00 0.00 C ATOM 1466 CG LEU A 95 -16.450 5.663 -7.987 1.00 0.00 C ATOM 1467 CD1 LEU A 95 -16.753 6.466 -6.730 1.00 0.00 C ATOM 1468 CD2 LEU A 95 -16.714 4.182 -7.749 1.00 0.00 C ATOM 0 H LEU A 95 -15.216 6.523 -10.537 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.177 4.399 -10.368 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -17.094 7.239 -9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -18.340 6.066 -8.915 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.396 5.791 -8.232 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -16.150 6.089 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.516 7.516 -6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -17.810 6.369 -6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.113 3.836 -6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -17.770 4.032 -7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -16.448 3.617 -8.642 1.00 0.00 H new ATOM 1480 N GLU A 96 -17.549 6.906 -12.372 1.00 0.00 N ATOM 1481 CA GLU A 96 -18.362 7.437 -13.453 1.00 0.00 C ATOM 1482 C GLU A 96 -18.142 6.636 -14.730 1.00 0.00 C ATOM 1483 O GLU A 96 -17.024 6.212 -15.028 1.00 0.00 O ATOM 1484 CB GLU A 96 -18.067 8.924 -13.699 1.00 0.00 C ATOM 1485 CG GLU A 96 -16.592 9.260 -13.889 1.00 0.00 C ATOM 1486 CD GLU A 96 -15.839 9.335 -12.575 1.00 0.00 C ATOM 1487 OE1 GLU A 96 -15.862 10.406 -11.936 1.00 0.00 O ATOM 1488 OE2 GLU A 96 -15.244 8.318 -12.163 1.00 0.00 O ATOM 0 H GLU A 96 -16.616 7.314 -12.306 1.00 0.00 H new ATOM 0 HA GLU A 96 -19.407 7.347 -13.156 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -18.616 9.247 -14.584 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -18.451 9.500 -12.857 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -16.130 8.506 -14.526 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -16.504 10.214 -14.409 1.00 0.00 H new ATOM 1495 N HIS A 97 -19.214 6.423 -15.475 1.00 0.00 N ATOM 1496 CA HIS A 97 -19.141 5.658 -16.707 1.00 0.00 C ATOM 1497 C HIS A 97 -18.593 6.504 -17.846 1.00 0.00 C ATOM 1498 O HIS A 97 -19.199 7.500 -18.241 1.00 0.00 O ATOM 1499 CB HIS A 97 -20.511 5.099 -17.087 1.00 0.00 C ATOM 1500 CG HIS A 97 -20.930 3.917 -16.271 1.00 0.00 C ATOM 1501 ND1 HIS A 97 -20.563 2.626 -16.584 1.00 0.00 N ATOM 1502 CD2 HIS A 97 -21.692 3.829 -15.155 1.00 0.00 C ATOM 1503 CE1 HIS A 97 -21.081 1.796 -15.699 1.00 0.00 C ATOM 1504 NE2 HIS A 97 -21.770 2.500 -14.822 1.00 0.00 N ATOM 0 H HIS A 97 -20.146 6.770 -15.247 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.460 4.825 -16.534 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -21.257 5.886 -16.978 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -20.498 4.816 -18.139 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -22.152 4.651 -14.626 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -20.961 0.723 -15.694 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -22.279 2.118 -14.025 1.00 0.00 H new ATOM 1513 N HIS A 98 -17.444 6.100 -18.366 1.00 0.00 N ATOM 1514 CA HIS A 98 -16.837 6.775 -19.509 1.00 0.00 C ATOM 1515 C HIS A 98 -17.529 6.320 -20.795 1.00 0.00 C ATOM 1516 O HIS A 98 -17.263 6.844 -21.874 1.00 0.00 O ATOM 1517 CB HIS A 98 -15.330 6.466 -19.566 1.00 0.00 C ATOM 1518 CG HIS A 98 -14.534 7.404 -20.429 1.00 0.00 C ATOM 1519 ND1 HIS A 98 -13.813 8.462 -19.919 1.00 0.00 N ATOM 1520 CD2 HIS A 98 -14.328 7.424 -21.767 1.00 0.00 C ATOM 1521 CE1 HIS A 98 -13.208 9.093 -20.905 1.00 0.00 C ATOM 1522 NE2 HIS A 98 -13.498 8.483 -22.038 1.00 0.00 N ATOM 0 H HIS A 98 -16.910 5.305 -18.015 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.961 7.853 -19.403 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -14.928 6.494 -18.553 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -15.194 5.449 -19.935 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -14.741 6.734 -22.488 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -12.579 9.965 -20.802 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -13.161 8.753 -22.962 1.00 0.00 H new ATOM 1531 N HIS A 99 -18.405 5.316 -20.655 1.00 0.00 N ATOM 1532 CA HIS A 99 -19.170 4.750 -21.778 1.00 0.00 C ATOM 1533 C HIS A 99 -18.266 3.964 -22.721 1.00 0.00 C ATOM 1534 O HIS A 99 -18.715 3.445 -23.742 1.00 0.00 O ATOM 1535 CB HIS A 99 -19.921 5.839 -22.561 1.00 0.00 C ATOM 1536 CG HIS A 99 -21.133 6.380 -21.866 1.00 0.00 C ATOM 1537 ND1 HIS A 99 -22.212 6.900 -22.545 1.00 0.00 N ATOM 1538 CD2 HIS A 99 -21.431 6.490 -20.550 1.00 0.00 C ATOM 1539 CE1 HIS A 99 -23.120 7.306 -21.678 1.00 0.00 C ATOM 1540 NE2 HIS A 99 -22.671 7.069 -20.459 1.00 0.00 N ATOM 0 H HIS A 99 -18.605 4.872 -19.759 1.00 0.00 H new ATOM 0 HA HIS A 99 -19.905 4.070 -21.348 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -19.235 6.662 -22.762 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -20.223 5.432 -23.526 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -20.808 6.179 -19.725 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -24.070 7.756 -21.924 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -23.165 7.282 -19.592 1.00 0.00 H new ATOM 1549 N HIS A 100 -17.000 3.865 -22.349 1.00 0.00 N ATOM 1550 CA HIS A 100 -15.989 3.218 -23.168 1.00 0.00 C ATOM 1551 C HIS A 100 -14.677 3.240 -22.399 1.00 0.00 C ATOM 1552 O HIS A 100 -14.090 4.300 -22.197 1.00 0.00 O ATOM 1553 CB HIS A 100 -15.833 3.968 -24.497 1.00 0.00 C ATOM 1554 CG HIS A 100 -15.324 3.131 -25.631 1.00 0.00 C ATOM 1555 ND1 HIS A 100 -15.950 3.080 -26.858 1.00 0.00 N ATOM 1556 CD2 HIS A 100 -14.238 2.333 -25.732 1.00 0.00 C ATOM 1557 CE1 HIS A 100 -15.272 2.284 -27.663 1.00 0.00 C ATOM 1558 NE2 HIS A 100 -14.226 1.818 -27.003 1.00 0.00 N ATOM 0 H HIS A 100 -16.644 4.233 -21.467 1.00 0.00 H new ATOM 0 HA HIS A 100 -16.280 2.191 -23.388 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -16.799 4.387 -24.778 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -15.153 4.806 -24.348 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -13.514 2.137 -24.955 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -15.528 2.053 -28.686 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -13.524 1.180 -27.378 1.00 0.00 H new ATOM 1567 N HIS A 101 -14.236 2.085 -21.931 1.00 0.00 N ATOM 1568 CA HIS A 101 -13.028 2.023 -21.121 1.00 0.00 C ATOM 1569 C HIS A 101 -11.802 1.830 -22.009 1.00 0.00 C ATOM 1570 O HIS A 101 -11.154 0.784 -21.975 1.00 0.00 O ATOM 1571 CB HIS A 101 -13.127 0.897 -20.084 1.00 0.00 C ATOM 1572 CG HIS A 101 -12.295 1.130 -18.857 1.00 0.00 C ATOM 1573 ND1 HIS A 101 -12.606 0.592 -17.626 1.00 0.00 N ATOM 1574 CD2 HIS A 101 -11.162 1.851 -18.672 1.00 0.00 C ATOM 1575 CE1 HIS A 101 -11.706 0.972 -16.739 1.00 0.00 C ATOM 1576 NE2 HIS A 101 -10.822 1.737 -17.348 1.00 0.00 N ATOM 0 H HIS A 101 -14.689 1.186 -22.094 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.923 2.968 -20.587 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -14.169 0.779 -19.788 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.819 -0.040 -20.548 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.627 2.410 -19.426 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -11.695 0.702 -15.693 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -10.014 2.174 -16.905 1.00 0.00 H new ATOM 1585 N HIS A 102 -11.510 2.839 -22.818 1.00 0.00 N ATOM 1586 CA HIS A 102 -10.357 2.808 -23.706 1.00 0.00 C ATOM 1587 C HIS A 102 -9.978 4.233 -24.084 1.00 0.00 C ATOM 1588 O HIS A 102 -10.432 4.708 -25.147 1.00 0.00 O ATOM 1589 CB HIS A 102 -10.667 1.980 -24.966 1.00 0.00 C ATOM 1590 CG HIS A 102 -9.482 1.732 -25.858 1.00 0.00 C ATOM 1591 ND1 HIS A 102 -8.872 0.499 -25.972 1.00 0.00 N ATOM 1592 CD2 HIS A 102 -8.807 2.557 -26.694 1.00 0.00 C ATOM 1593 CE1 HIS A 102 -7.878 0.580 -26.835 1.00 0.00 C ATOM 1594 NE2 HIS A 102 -7.818 1.817 -27.286 1.00 0.00 N ATOM 1595 OXT HIS A 102 -9.259 4.885 -23.300 1.00 0.00 O ATOM 0 H HIS A 102 -12.061 3.695 -22.877 1.00 0.00 H new ATOM 0 HA HIS A 102 -9.520 2.336 -23.192 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -11.083 1.020 -24.661 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -11.438 2.493 -25.542 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -9.011 3.604 -26.862 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -7.224 -0.230 -27.123 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -7.144 2.167 -27.966 1.00 0.00 H new TER 1604 HIS A 102