USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 953 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 101 ASN : amide:sc= 0.275 K(o=-1.5,f=-5.8!) USER MOD Set 1.2: A 104 ASN : amide:sc= -1.81! K(o=-1.5!,f=-4.2) USER MOD Set 2.1: A 75 LYS NZ :NH3+ 159:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= 1.04 USER MOD Set 3.1: A 80 HIS : no HE2:sc= -0.0491 K(o=1.3,f=-0.48) USER MOD Set 3.2: A 86 SER OG : rot -64:sc= 1.3 USER MOD Set 4.1: A 29 LYS NZ :NH3+ -149:sc= 0.797 (180deg=0.396) USER MOD Set 4.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 18 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.25) USER MOD Set 5.2: A 81 TYR OH : rot -15:sc= 0.00479 USER MOD Single : A 1 MET CE :methyl -161:sc= 0 (180deg=-0.00632) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN :FLIP amide:sc= -0.0394 F(o=-0.94,f=-0.039) USER MOD Single : A 14 CYS SG : rot 110:sc= -3.74! USER MOD Single : A 22 MET CE :methyl -134:sc= -0.481 (180deg=-2.2) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 92:sc= 0.00815 USER MOD Single : A 35 SER OG : rot 91:sc= 1.27 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 136:sc= -0.294 (180deg=-1.33!) USER MOD Single : A 39 THR OG1 : rot 28:sc= 0.496 USER MOD Single : A 40 SER OG : rot 180:sc= -0.194 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.255 F(o=-2.2!,f=-0.25) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= -0.177 USER MOD Single : A 50 SER OG : rot -82:sc= 0.151 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 120:sc= -2.43! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0351) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.88 F(o=-2.6!,f=-0.88) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.124 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 CYS SG : rot 75:sc= -3.28! USER MOD Single : A 82 GLN :FLIP amide:sc= -0.143 F(o=-1.7!,f=-0.14) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 169:sc= -1.02 USER MOD Single : A 100 TYR OH : rot -122:sc= 0.241 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -168:sc= 1.29 (180deg=1.16) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN :FLIP amide:sc= -1.65 F(o=-2.8!,f=-1.6) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 152:sc= 1.2 (180deg=0.864) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.033 15.532 -0.278 1.00 0.00 N ATOM 2 CA MET A 1 -15.596 15.206 -0.151 1.00 0.00 C ATOM 3 C MET A 1 -14.741 16.455 -0.296 1.00 0.00 C ATOM 4 O MET A 1 -14.430 16.882 -1.407 1.00 0.00 O ATOM 5 CB MET A 1 -15.191 14.175 -1.209 1.00 0.00 C ATOM 6 CG MET A 1 -14.867 12.803 -0.640 1.00 0.00 C ATOM 7 SD MET A 1 -13.480 12.834 0.513 1.00 0.00 S ATOM 8 CE MET A 1 -13.133 11.083 0.681 1.00 0.00 C ATOM 0 H1 MET A 1 -17.596 14.664 -0.176 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.302 16.209 0.464 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.212 15.953 -1.212 1.00 0.00 H new ATOM 0 HA MET A 1 -15.431 14.786 0.841 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.999 14.075 -1.933 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.322 14.547 -1.751 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.747 12.408 -0.132 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.638 12.120 -1.458 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.552 10.913 1.587 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.071 10.531 0.742 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.565 10.740 -0.184 1.00 0.00 H new ATOM 18 N VAL A 2 -14.376 17.050 0.829 1.00 0.00 N ATOM 19 CA VAL A 2 -13.550 18.245 0.821 1.00 0.00 C ATOM 20 C VAL A 2 -12.315 18.050 1.689 1.00 0.00 C ATOM 21 O VAL A 2 -12.381 17.407 2.740 1.00 0.00 O ATOM 22 CB VAL A 2 -14.326 19.494 1.291 1.00 0.00 C ATOM 23 CG1 VAL A 2 -15.345 19.917 0.243 1.00 0.00 C ATOM 24 CG2 VAL A 2 -15.009 19.242 2.626 1.00 0.00 C ATOM 0 H VAL A 2 -14.639 16.724 1.759 1.00 0.00 H new ATOM 0 HA VAL A 2 -13.245 18.411 -0.212 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.609 20.304 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.882 20.799 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.832 20.151 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -16.052 19.105 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -15.548 20.138 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -15.710 18.413 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -14.259 18.994 3.377 1.00 0.00 H new ATOM 34 N ASP A 3 -11.189 18.581 1.218 1.00 0.00 N ATOM 35 CA ASP A 3 -9.909 18.483 1.930 1.00 0.00 C ATOM 36 C ASP A 3 -9.489 17.024 2.082 1.00 0.00 C ATOM 37 O ASP A 3 -8.778 16.657 3.017 1.00 0.00 O ATOM 38 CB ASP A 3 -9.989 19.150 3.309 1.00 0.00 C ATOM 39 CG ASP A 3 -10.037 20.661 3.221 1.00 0.00 C ATOM 40 OD1 ASP A 3 -8.961 21.288 3.165 1.00 0.00 O ATOM 41 OD2 ASP A 3 -11.149 21.228 3.209 1.00 0.00 O ATOM 0 H ASP A 3 -11.134 19.090 0.336 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.160 19.008 1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.876 18.791 3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.126 18.851 3.904 1.00 0.00 H new ATOM 46 N LEU A 4 -9.920 16.208 1.126 1.00 0.00 N ATOM 47 CA LEU A 4 -9.638 14.779 1.124 1.00 0.00 C ATOM 48 C LEU A 4 -8.138 14.488 1.074 1.00 0.00 C ATOM 49 O LEU A 4 -7.642 13.631 1.805 1.00 0.00 O ATOM 50 CB LEU A 4 -10.349 14.101 -0.060 1.00 0.00 C ATOM 51 CG LEU A 4 -9.987 14.632 -1.454 1.00 0.00 C ATOM 52 CD1 LEU A 4 -9.991 13.505 -2.475 1.00 0.00 C ATOM 53 CD2 LEU A 4 -10.952 15.727 -1.891 1.00 0.00 C ATOM 0 H LEU A 4 -10.476 16.520 0.330 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.018 14.370 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.126 13.034 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.425 14.206 0.079 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.984 15.056 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.732 13.902 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.261 12.749 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.983 13.055 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.672 16.085 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.966 15.327 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.910 16.553 -1.182 1.00 0.00 H new ATOM 65 N GLU A 5 -7.409 15.243 0.256 1.00 0.00 N ATOM 66 CA GLU A 5 -5.968 15.038 0.084 1.00 0.00 C ATOM 67 C GLU A 5 -5.170 15.419 1.329 1.00 0.00 C ATOM 68 O GLU A 5 -3.945 15.498 1.284 1.00 0.00 O ATOM 69 CB GLU A 5 -5.450 15.827 -1.115 1.00 0.00 C ATOM 70 CG GLU A 5 -6.541 16.444 -1.966 1.00 0.00 C ATOM 71 CD GLU A 5 -6.334 17.926 -2.159 1.00 0.00 C ATOM 72 OE1 GLU A 5 -5.186 18.336 -2.423 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.315 18.687 -2.043 1.00 0.00 O ATOM 0 H GLU A 5 -7.792 16.006 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.825 13.971 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.791 16.618 -0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.847 15.167 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.565 15.951 -2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.509 16.271 -1.496 1.00 0.00 H new ATOM 80 N GLN A 6 -5.860 15.668 2.428 1.00 0.00 N ATOM 81 CA GLN A 6 -5.197 16.002 3.676 1.00 0.00 C ATOM 82 C GLN A 6 -5.099 14.751 4.534 1.00 0.00 C ATOM 83 O GLN A 6 -4.335 14.690 5.496 1.00 0.00 O ATOM 84 CB GLN A 6 -5.948 17.103 4.427 1.00 0.00 C ATOM 85 CG GLN A 6 -5.656 18.501 3.913 1.00 0.00 C ATOM 86 CD GLN A 6 -6.163 19.584 4.847 1.00 0.00 C ATOM 87 OE1 GLN A 6 -7.270 19.318 5.523 1.00 0.00 O flip ATOM 88 NE2 GLN A 6 -5.564 20.649 4.962 1.00 0.00 N flip ATOM 0 H GLN A 6 -6.878 15.645 2.482 1.00 0.00 H new ATOM 0 HA GLN A 6 -4.198 16.379 3.454 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -7.019 16.915 4.354 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -5.687 17.052 5.484 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.581 18.617 3.778 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.116 18.627 2.933 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.714 20.817 4.424 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.916 21.366 5.596 1.00 0.00 H new ATOM 97 N GLU A 7 -5.887 13.750 4.160 1.00 0.00 N ATOM 98 CA GLU A 7 -5.920 12.474 4.860 1.00 0.00 C ATOM 99 C GLU A 7 -5.118 11.446 4.080 1.00 0.00 C ATOM 100 O GLU A 7 -4.808 10.361 4.568 1.00 0.00 O ATOM 101 CB GLU A 7 -7.365 12.018 5.014 1.00 0.00 C ATOM 102 CG GLU A 7 -8.297 13.149 5.395 1.00 0.00 C ATOM 103 CD GLU A 7 -8.238 13.474 6.873 1.00 0.00 C ATOM 104 OE1 GLU A 7 -8.709 12.657 7.687 1.00 0.00 O ATOM 105 OE2 GLU A 7 -7.716 14.552 7.229 1.00 0.00 O ATOM 0 H GLU A 7 -6.521 13.801 3.363 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.478 12.584 5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.703 11.574 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.417 11.238 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.039 14.038 4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.318 12.881 5.125 1.00 0.00 H new ATOM 112 N PHE A 8 -4.761 11.829 2.865 1.00 0.00 N ATOM 113 CA PHE A 8 -3.998 10.991 1.980 1.00 0.00 C ATOM 114 C PHE A 8 -2.796 11.811 1.633 1.00 0.00 C ATOM 115 O PHE A 8 -2.609 12.244 0.499 1.00 0.00 O ATOM 116 CB PHE A 8 -4.758 10.640 0.701 1.00 0.00 C ATOM 117 CG PHE A 8 -6.247 10.610 0.835 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.020 11.277 -0.091 1.00 0.00 C ATOM 119 CD2 PHE A 8 -6.875 9.931 1.865 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.392 11.276 0.001 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.247 9.929 1.962 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.008 10.600 1.030 1.00 0.00 C ATOM 0 H PHE A 8 -4.999 12.739 2.470 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.761 10.040 2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.493 11.363 -0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.420 9.664 0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.541 11.808 -0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.284 9.400 2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.984 11.804 -0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.729 9.400 2.771 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.085 10.596 1.106 1.00 0.00 H new ATOM 132 N ALA A 9 -2.026 12.081 2.648 1.00 0.00 N ATOM 133 CA ALA A 9 -0.876 12.900 2.512 1.00 0.00 C ATOM 134 C ALA A 9 0.195 12.444 3.470 1.00 0.00 C ATOM 135 O ALA A 9 0.171 11.310 3.954 1.00 0.00 O ATOM 136 CB ALA A 9 -1.263 14.350 2.761 1.00 0.00 C ATOM 0 H ALA A 9 -2.187 11.733 3.593 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.476 12.817 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.383 14.984 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.017 14.655 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.667 14.451 3.768 1.00 0.00 H new ATOM 142 N LEU A 10 1.106 13.340 3.748 1.00 0.00 N ATOM 143 CA LEU A 10 2.244 13.072 4.611 1.00 0.00 C ATOM 144 C LEU A 10 1.838 12.565 5.996 1.00 0.00 C ATOM 145 O LEU A 10 1.408 13.336 6.857 1.00 0.00 O ATOM 146 CB LEU A 10 3.082 14.331 4.750 1.00 0.00 C ATOM 147 CG LEU A 10 4.158 14.538 3.675 1.00 0.00 C ATOM 148 CD1 LEU A 10 3.555 15.170 2.433 1.00 0.00 C ATOM 149 CD2 LEU A 10 5.291 15.396 4.219 1.00 0.00 C ATOM 0 H LEU A 10 1.085 14.291 3.380 1.00 0.00 H new ATOM 0 HA LEU A 10 2.823 12.277 4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.414 15.192 4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.568 14.316 5.726 1.00 0.00 H new ATOM 0 HG LEU A 10 4.565 13.565 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.332 15.309 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.777 14.519 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.122 16.137 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.046 15.534 3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.899 16.367 4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.740 14.902 5.081 1.00 0.00 H new ATOM 161 N GLY A 11 1.969 11.256 6.187 1.00 0.00 N ATOM 162 CA GLY A 11 1.668 10.641 7.465 1.00 0.00 C ATOM 163 C GLY A 11 0.194 10.623 7.780 1.00 0.00 C ATOM 164 O GLY A 11 -0.199 10.558 8.946 1.00 0.00 O ATOM 0 H GLY A 11 2.283 10.604 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.047 9.619 7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.195 11.178 8.253 1.00 0.00 H new ATOM 168 N GLY A 12 -0.622 10.689 6.744 1.00 0.00 N ATOM 169 CA GLY A 12 -2.050 10.670 6.938 1.00 0.00 C ATOM 170 C GLY A 12 -2.556 9.262 7.143 1.00 0.00 C ATOM 171 O GLY A 12 -2.078 8.324 6.493 1.00 0.00 O ATOM 0 H GLY A 12 -0.320 10.755 5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.310 11.282 7.802 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.543 11.114 6.073 1.00 0.00 H new ATOM 175 N ARG A 13 -3.503 9.097 8.050 1.00 0.00 N ATOM 176 CA ARG A 13 -4.061 7.787 8.303 1.00 0.00 C ATOM 177 C ARG A 13 -5.279 7.623 7.426 1.00 0.00 C ATOM 178 O ARG A 13 -6.204 8.429 7.476 1.00 0.00 O ATOM 179 CB ARG A 13 -4.434 7.584 9.776 1.00 0.00 C ATOM 180 CG ARG A 13 -4.415 6.118 10.194 1.00 0.00 C ATOM 181 CD ARG A 13 -5.318 5.849 11.392 1.00 0.00 C ATOM 182 NE ARG A 13 -4.805 6.466 12.616 1.00 0.00 N ATOM 183 CZ ARG A 13 -4.764 5.856 13.805 1.00 0.00 C ATOM 184 NH1 ARG A 13 -5.221 4.617 13.948 1.00 0.00 N ATOM 185 NH2 ARG A 13 -4.263 6.492 14.857 1.00 0.00 N ATOM 0 H ARG A 13 -3.896 9.848 8.617 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.308 7.034 8.071 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.740 8.145 10.402 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.428 7.995 9.954 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.733 5.499 9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.394 5.825 10.438 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.318 6.231 11.185 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.412 4.773 11.540 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.456 7.423 12.558 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.609 4.121 13.146 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.184 4.162 14.860 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.910 7.444 14.757 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.231 6.029 15.765 1.00 0.00 H new ATOM 199 N CYS A 14 -5.259 6.596 6.610 1.00 0.00 N ATOM 200 CA CYS A 14 -6.345 6.335 5.695 1.00 0.00 C ATOM 201 C CYS A 14 -6.768 4.878 5.748 1.00 0.00 C ATOM 202 O CYS A 14 -6.189 4.070 6.475 1.00 0.00 O ATOM 203 CB CYS A 14 -5.886 6.679 4.280 1.00 0.00 C ATOM 204 SG CYS A 14 -4.320 5.905 3.836 1.00 0.00 S ATOM 0 H CYS A 14 -4.495 5.922 6.561 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.201 6.947 5.980 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.652 6.368 3.570 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.788 7.761 4.189 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.530 4.981 2.946 1.00 0.00 H new ATOM 210 N LEU A 15 -7.799 4.570 4.989 1.00 0.00 N ATOM 211 CA LEU A 15 -8.292 3.216 4.867 1.00 0.00 C ATOM 212 C LEU A 15 -8.011 2.800 3.446 1.00 0.00 C ATOM 213 O LEU A 15 -8.233 3.583 2.530 1.00 0.00 O ATOM 214 CB LEU A 15 -9.791 3.123 5.170 1.00 0.00 C ATOM 215 CG LEU A 15 -10.150 2.938 6.649 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.638 2.674 6.805 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.350 1.797 7.254 1.00 0.00 C ATOM 0 H LEU A 15 -8.319 5.254 4.439 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.800 2.562 5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.275 4.029 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.208 2.290 4.605 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.900 3.857 7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.876 2.545 7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.201 3.518 6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.906 1.769 6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.619 1.681 8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.571 0.874 6.719 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.285 2.017 7.174 1.00 0.00 H new ATOM 229 N ALA A 16 -7.532 1.602 3.233 1.00 0.00 N ATOM 230 CA ALA A 16 -7.205 1.205 1.889 1.00 0.00 C ATOM 231 C ALA A 16 -7.713 -0.185 1.623 1.00 0.00 C ATOM 232 O ALA A 16 -7.662 -1.057 2.489 1.00 0.00 O ATOM 233 CB ALA A 16 -5.707 1.329 1.636 1.00 0.00 C ATOM 0 H ALA A 16 -7.363 0.900 3.953 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.700 1.877 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.484 1.023 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.398 2.364 1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.166 0.688 2.332 1.00 0.00 H new ATOM 239 N PHE A 17 -8.196 -0.386 0.421 1.00 0.00 N ATOM 240 CA PHE A 17 -8.758 -1.657 0.040 1.00 0.00 C ATOM 241 C PHE A 17 -7.687 -2.667 -0.314 1.00 0.00 C ATOM 242 O PHE A 17 -6.953 -2.519 -1.298 1.00 0.00 O ATOM 243 CB PHE A 17 -9.746 -1.487 -1.112 1.00 0.00 C ATOM 244 CG PHE A 17 -11.162 -1.350 -0.636 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.939 -2.474 -0.416 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.712 -0.101 -0.403 1.00 0.00 C ATOM 247 CE1 PHE A 17 -13.241 -2.355 0.028 1.00 0.00 C ATOM 248 CE2 PHE A 17 -13.012 0.024 0.040 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.780 -1.102 0.254 1.00 0.00 C ATOM 0 H PHE A 17 -8.211 0.321 -0.314 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.296 -2.047 0.904 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.474 -0.606 -1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.672 -2.345 -1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.523 -3.455 -0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.117 0.785 -0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.837 -3.239 0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.429 1.004 0.220 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.799 -1.005 0.597 1.00 0.00 H new ATOM 259 N HIS A 18 -7.589 -3.668 0.534 1.00 0.00 N ATOM 260 CA HIS A 18 -6.670 -4.761 0.351 1.00 0.00 C ATOM 261 C HIS A 18 -7.517 -6.004 0.186 1.00 0.00 C ATOM 262 O HIS A 18 -8.083 -6.523 1.156 1.00 0.00 O ATOM 263 CB HIS A 18 -5.715 -4.894 1.538 1.00 0.00 C ATOM 264 CG HIS A 18 -4.449 -5.618 1.204 1.00 0.00 C ATOM 265 ND1 HIS A 18 -3.708 -6.249 2.170 1.00 0.00 N ATOM 266 CD2 HIS A 18 -3.836 -5.774 0.005 1.00 0.00 C ATOM 267 CE1 HIS A 18 -2.670 -6.773 1.545 1.00 0.00 C ATOM 268 NE2 HIS A 18 -2.705 -6.510 0.233 1.00 0.00 N ATOM 0 H HIS A 18 -8.154 -3.743 1.380 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.039 -4.597 -0.523 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.469 -3.899 1.910 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.223 -5.420 2.346 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.175 -5.391 -0.946 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.891 -7.342 2.031 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.020 -6.802 -0.464 1.00 0.00 H new ATOM 276 N GLY A 19 -7.663 -6.437 -1.052 1.00 0.00 N ATOM 277 CA GLY A 19 -8.493 -7.580 -1.323 1.00 0.00 C ATOM 278 C GLY A 19 -9.952 -7.213 -1.147 1.00 0.00 C ATOM 279 O GLY A 19 -10.443 -6.306 -1.820 1.00 0.00 O ATOM 0 H GLY A 19 -7.222 -6.017 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.318 -7.934 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.231 -8.397 -0.651 1.00 0.00 H new ATOM 283 N PRO A 20 -10.665 -7.884 -0.235 1.00 0.00 N ATOM 284 CA PRO A 20 -12.074 -7.623 0.025 1.00 0.00 C ATOM 285 C PRO A 20 -12.341 -6.645 1.172 1.00 0.00 C ATOM 286 O PRO A 20 -13.487 -6.255 1.382 1.00 0.00 O ATOM 287 CB PRO A 20 -12.606 -9.009 0.413 1.00 0.00 C ATOM 288 CG PRO A 20 -11.405 -9.892 0.619 1.00 0.00 C ATOM 289 CD PRO A 20 -10.190 -9.005 0.573 1.00 0.00 C ATOM 0 HA PRO A 20 -12.543 -7.157 -0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.205 -8.953 1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.251 -9.409 -0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.468 -10.410 1.576 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.352 -10.658 -0.155 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.878 -8.688 1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.336 -9.505 0.116 1.00 0.00 H new ATOM 297 N LEU A 21 -11.313 -6.225 1.906 1.00 0.00 N ATOM 298 CA LEU A 21 -11.552 -5.339 3.041 1.00 0.00 C ATOM 299 C LEU A 21 -10.735 -4.055 3.015 1.00 0.00 C ATOM 300 O LEU A 21 -9.766 -3.908 2.269 1.00 0.00 O ATOM 301 CB LEU A 21 -11.281 -6.072 4.357 1.00 0.00 C ATOM 302 CG LEU A 21 -12.391 -7.009 4.833 1.00 0.00 C ATOM 303 CD1 LEU A 21 -12.215 -7.339 6.302 1.00 0.00 C ATOM 304 CD2 LEU A 21 -13.746 -6.378 4.625 1.00 0.00 C ATOM 0 H LEU A 21 -10.337 -6.474 1.743 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.600 -5.050 2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.364 -6.651 4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.099 -5.330 5.134 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.328 -7.926 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.014 -8.007 6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.252 -7.827 6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.252 -6.421 6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.522 -7.061 4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.804 -5.447 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.891 -6.169 3.565 1.00 0.00 H new ATOM 316 N MET A 22 -11.173 -3.134 3.861 1.00 0.00 N ATOM 317 CA MET A 22 -10.544 -1.846 4.045 1.00 0.00 C ATOM 318 C MET A 22 -9.613 -1.950 5.239 1.00 0.00 C ATOM 319 O MET A 22 -10.067 -2.156 6.364 1.00 0.00 O ATOM 320 CB MET A 22 -11.614 -0.771 4.312 1.00 0.00 C ATOM 321 CG MET A 22 -11.540 0.409 3.354 1.00 0.00 C ATOM 322 SD MET A 22 -12.816 1.649 3.662 1.00 0.00 S ATOM 323 CE MET A 22 -14.300 0.685 3.393 1.00 0.00 C ATOM 0 H MET A 22 -11.995 -3.270 4.449 1.00 0.00 H new ATOM 0 HA MET A 22 -9.989 -1.565 3.150 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.602 -1.227 4.239 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.505 -0.407 5.334 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.559 0.877 3.437 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.634 0.046 2.331 1.00 0.00 H new ATOM 0 HE1 MET A 22 -14.992 1.249 2.768 1.00 0.00 H new ATOM 0 HE2 MET A 22 -14.041 -0.250 2.896 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.771 0.468 4.351 1.00 0.00 H new ATOM 333 N TYR A 23 -8.323 -1.834 5.006 1.00 0.00 N ATOM 334 CA TYR A 23 -7.364 -1.936 6.088 1.00 0.00 C ATOM 335 C TYR A 23 -6.800 -0.571 6.445 1.00 0.00 C ATOM 336 O TYR A 23 -6.650 0.294 5.583 1.00 0.00 O ATOM 337 CB TYR A 23 -6.237 -2.902 5.716 1.00 0.00 C ATOM 338 CG TYR A 23 -6.648 -4.357 5.771 1.00 0.00 C ATOM 339 CD1 TYR A 23 -6.449 -5.108 6.921 1.00 0.00 C ATOM 340 CD2 TYR A 23 -7.243 -4.974 4.678 1.00 0.00 C ATOM 341 CE1 TYR A 23 -6.831 -6.434 6.983 1.00 0.00 C ATOM 342 CE2 TYR A 23 -7.627 -6.300 4.730 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.419 -7.027 5.888 1.00 0.00 C ATOM 344 OH TYR A 23 -7.805 -8.347 5.954 1.00 0.00 O ATOM 0 H TYR A 23 -7.915 -1.670 4.085 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.882 -2.328 6.964 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.887 -2.669 4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.396 -2.744 6.391 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.988 -4.648 7.782 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.408 -4.408 3.773 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.669 -7.003 7.886 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.087 -6.766 3.871 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.204 -8.614 5.100 1.00 0.00 H new ATOM 354 N GLU A 24 -6.521 -0.385 7.728 1.00 0.00 N ATOM 355 CA GLU A 24 -5.961 0.859 8.229 1.00 0.00 C ATOM 356 C GLU A 24 -4.545 1.020 7.704 1.00 0.00 C ATOM 357 O GLU A 24 -3.803 0.045 7.607 1.00 0.00 O ATOM 358 CB GLU A 24 -5.967 0.849 9.760 1.00 0.00 C ATOM 359 CG GLU A 24 -6.361 2.177 10.375 1.00 0.00 C ATOM 360 CD GLU A 24 -7.072 2.014 11.702 1.00 0.00 C ATOM 361 OE1 GLU A 24 -6.697 2.705 12.673 1.00 0.00 O ATOM 362 OE2 GLU A 24 -8.022 1.201 11.773 1.00 0.00 O ATOM 0 H GLU A 24 -6.677 -1.091 8.448 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.564 1.699 7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.656 0.079 10.107 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.975 0.573 10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.469 2.787 10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.009 2.716 9.683 1.00 0.00 H new ATOM 369 N ALA A 25 -4.169 2.234 7.347 1.00 0.00 N ATOM 370 CA ALA A 25 -2.840 2.461 6.821 1.00 0.00 C ATOM 371 C ALA A 25 -2.359 3.882 7.053 1.00 0.00 C ATOM 372 O ALA A 25 -3.156 4.812 7.187 1.00 0.00 O ATOM 373 CB ALA A 25 -2.819 2.135 5.340 1.00 0.00 C ATOM 0 H ALA A 25 -4.756 3.065 7.411 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.155 1.804 7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.818 2.306 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.094 1.090 5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.530 2.774 4.817 1.00 0.00 H new ATOM 379 N LYS A 26 -1.043 4.030 7.121 1.00 0.00 N ATOM 380 CA LYS A 26 -0.407 5.325 7.308 1.00 0.00 C ATOM 381 C LYS A 26 0.484 5.603 6.109 1.00 0.00 C ATOM 382 O LYS A 26 1.419 4.847 5.828 1.00 0.00 O ATOM 383 CB LYS A 26 0.416 5.349 8.599 1.00 0.00 C ATOM 384 CG LYS A 26 0.145 6.564 9.470 1.00 0.00 C ATOM 385 CD LYS A 26 1.202 6.716 10.552 1.00 0.00 C ATOM 386 CE LYS A 26 2.512 7.243 9.987 1.00 0.00 C ATOM 387 NZ LYS A 26 3.435 7.703 11.059 1.00 0.00 N ATOM 0 H LYS A 26 -0.386 3.253 7.048 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.173 6.096 7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.204 4.447 9.172 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.476 5.323 8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.124 7.461 8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.839 6.472 9.930 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.839 7.395 11.323 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.374 5.752 11.031 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.996 6.460 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.307 8.069 9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.316 8.054 10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.984 8.468 11.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.652 6.909 11.695 1.00 0.00 H new ATOM 401 N ILE A 27 0.174 6.669 5.392 1.00 0.00 N ATOM 402 CA ILE A 27 0.929 7.034 4.204 1.00 0.00 C ATOM 403 C ILE A 27 2.293 7.598 4.553 1.00 0.00 C ATOM 404 O ILE A 27 2.406 8.585 5.274 1.00 0.00 O ATOM 405 CB ILE A 27 0.162 8.047 3.329 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.211 7.495 2.955 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.956 8.365 2.073 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.339 8.489 3.117 1.00 0.00 C ATOM 0 H ILE A 27 -0.597 7.299 5.612 1.00 0.00 H new ATOM 0 HA ILE A 27 1.068 6.114 3.636 1.00 0.00 H new ATOM 0 HB ILE A 27 0.026 8.965 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.185 7.156 1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.420 6.621 3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.403 9.081 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.920 8.792 2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.115 7.450 1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.281 8.020 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.394 8.810 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.156 9.354 2.479 1.00 0.00 H new ATOM 420 N LEU A 28 3.322 6.954 4.028 1.00 0.00 N ATOM 421 CA LEU A 28 4.686 7.372 4.265 1.00 0.00 C ATOM 422 C LEU A 28 5.259 8.085 3.046 1.00 0.00 C ATOM 423 O LEU A 28 6.082 8.987 3.179 1.00 0.00 O ATOM 424 CB LEU A 28 5.552 6.170 4.627 1.00 0.00 C ATOM 425 CG LEU A 28 6.280 6.307 5.955 1.00 0.00 C ATOM 426 CD1 LEU A 28 5.338 6.031 7.117 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.482 5.380 6.006 1.00 0.00 C ATOM 0 H LEU A 28 3.233 6.133 3.430 1.00 0.00 H new ATOM 0 HA LEU A 28 4.685 8.073 5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.924 5.280 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.286 6.014 3.837 1.00 0.00 H new ATOM 0 HG LEU A 28 6.637 7.333 6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.880 6.135 8.057 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.513 6.743 7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.945 5.018 7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.989 5.494 6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.151 4.348 5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.170 5.632 5.199 1.00 0.00 H new ATOM 439 N LYS A 29 4.839 7.669 1.858 1.00 0.00 N ATOM 440 CA LYS A 29 5.320 8.298 0.633 1.00 0.00 C ATOM 441 C LYS A 29 4.159 8.584 -0.312 1.00 0.00 C ATOM 442 O LYS A 29 3.493 7.669 -0.778 1.00 0.00 O ATOM 443 CB LYS A 29 6.359 7.404 -0.074 1.00 0.00 C ATOM 444 CG LYS A 29 7.239 6.605 0.879 1.00 0.00 C ATOM 445 CD LYS A 29 8.609 6.304 0.281 1.00 0.00 C ATOM 446 CE LYS A 29 8.555 5.203 -0.765 1.00 0.00 C ATOM 447 NZ LYS A 29 9.911 4.854 -1.270 1.00 0.00 N ATOM 0 H LYS A 29 4.175 6.908 1.716 1.00 0.00 H new ATOM 0 HA LYS A 29 5.798 9.239 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.838 6.713 -0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.994 8.029 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.364 7.161 1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.741 5.669 1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.013 7.210 -0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.294 6.012 1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.088 4.317 -0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.928 5.523 -1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.843 4.543 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.529 5.688 -1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.309 4.086 -0.693 1.00 0.00 H new ATOM 461 N ILE A 30 3.927 9.852 -0.589 1.00 0.00 N ATOM 462 CA ILE A 30 2.858 10.259 -1.491 1.00 0.00 C ATOM 463 C ILE A 30 3.403 10.264 -2.901 1.00 0.00 C ATOM 464 O ILE A 30 4.533 10.657 -3.108 1.00 0.00 O ATOM 465 CB ILE A 30 2.301 11.660 -1.127 1.00 0.00 C ATOM 466 CG1 ILE A 30 1.478 11.600 0.156 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.447 12.223 -2.248 1.00 0.00 C ATOM 468 CD1 ILE A 30 2.290 11.339 1.396 1.00 0.00 C ATOM 0 H ILE A 30 4.467 10.626 -0.201 1.00 0.00 H new ATOM 0 HA ILE A 30 2.031 9.554 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 30 3.156 12.318 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.944 12.542 0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.726 10.818 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.072 13.205 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.048 12.314 -3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.607 11.555 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.631 11.311 2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.804 10.382 1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.025 12.134 1.524 1.00 0.00 H new ATOM 480 N TRP A 31 2.619 9.849 -3.871 1.00 0.00 N ATOM 481 CA TRP A 31 3.113 9.786 -5.228 1.00 0.00 C ATOM 482 C TRP A 31 2.426 10.775 -6.157 1.00 0.00 C ATOM 483 O TRP A 31 1.198 10.771 -6.278 1.00 0.00 O ATOM 484 CB TRP A 31 2.916 8.400 -5.798 1.00 0.00 C ATOM 485 CG TRP A 31 3.266 8.337 -7.240 1.00 0.00 C ATOM 486 CD1 TRP A 31 2.418 8.374 -8.300 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.570 8.269 -7.768 1.00 0.00 C ATOM 488 NE1 TRP A 31 3.128 8.283 -9.470 1.00 0.00 N ATOM 489 CE2 TRP A 31 4.455 8.220 -9.164 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.825 8.235 -7.187 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.557 8.124 -9.987 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.923 8.146 -8.006 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.781 8.090 -9.393 1.00 0.00 C ATOM 0 H TRP A 31 1.650 9.554 -3.749 1.00 0.00 H new ATOM 0 HA TRP A 31 4.171 10.042 -5.172 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.530 7.690 -5.244 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.878 8.097 -5.663 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.344 8.462 -8.232 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.731 8.265 -10.409 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.938 8.277 -6.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.453 8.078 -11.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.911 8.119 -7.571 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.664 8.018 -10.010 1.00 0.00 H new ATOM 504 N ASP A 32 3.235 11.570 -6.848 1.00 0.00 N ATOM 505 CA ASP A 32 2.739 12.544 -7.809 1.00 0.00 C ATOM 506 C ASP A 32 2.920 11.999 -9.229 1.00 0.00 C ATOM 507 O ASP A 32 4.044 11.765 -9.680 1.00 0.00 O ATOM 508 CB ASP A 32 3.478 13.878 -7.662 1.00 0.00 C ATOM 509 CG ASP A 32 3.457 14.688 -8.944 1.00 0.00 C ATOM 510 OD1 ASP A 32 4.505 14.771 -9.617 1.00 0.00 O ATOM 511 OD2 ASP A 32 2.390 15.226 -9.295 1.00 0.00 O ATOM 0 H ASP A 32 4.251 11.557 -6.757 1.00 0.00 H new ATOM 0 HA ASP A 32 1.680 12.718 -7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.021 14.458 -6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.511 13.689 -7.370 1.00 0.00 H new ATOM 516 N PRO A 33 1.811 11.795 -9.954 1.00 0.00 N ATOM 517 CA PRO A 33 1.836 11.258 -11.319 1.00 0.00 C ATOM 518 C PRO A 33 2.057 12.325 -12.391 1.00 0.00 C ATOM 519 O PRO A 33 1.964 12.049 -13.590 1.00 0.00 O ATOM 520 CB PRO A 33 0.436 10.675 -11.457 1.00 0.00 C ATOM 521 CG PRO A 33 -0.428 11.568 -10.630 1.00 0.00 C ATOM 522 CD PRO A 33 0.434 12.061 -9.494 1.00 0.00 C ATOM 0 HA PRO A 33 2.655 10.553 -11.462 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.112 10.663 -12.498 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.398 9.646 -11.100 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.804 12.402 -11.222 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.296 11.028 -10.253 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.274 13.122 -9.302 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.213 11.533 -8.566 1.00 0.00 H new ATOM 530 N SER A 34 2.344 13.538 -11.958 1.00 0.00 N ATOM 531 CA SER A 34 2.543 14.644 -12.885 1.00 0.00 C ATOM 532 C SER A 34 4.019 14.837 -13.221 1.00 0.00 C ATOM 533 O SER A 34 4.364 15.274 -14.318 1.00 0.00 O ATOM 534 CB SER A 34 1.953 15.929 -12.306 1.00 0.00 C ATOM 535 OG SER A 34 0.633 15.712 -11.823 1.00 0.00 O ATOM 0 H SER A 34 2.445 13.786 -10.974 1.00 0.00 H new ATOM 0 HA SER A 34 2.025 14.401 -13.812 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.586 16.291 -11.495 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.941 16.705 -13.071 1.00 0.00 H new ATOM 0 HG SER A 34 0.667 15.480 -10.871 1.00 0.00 H new ATOM 541 N SER A 35 4.894 14.505 -12.289 1.00 0.00 N ATOM 542 CA SER A 35 6.318 14.660 -12.512 1.00 0.00 C ATOM 543 C SER A 35 6.996 13.302 -12.439 1.00 0.00 C ATOM 544 O SER A 35 8.059 13.095 -13.025 1.00 0.00 O ATOM 545 CB SER A 35 6.912 15.625 -11.487 1.00 0.00 C ATOM 546 OG SER A 35 5.916 16.508 -10.989 1.00 0.00 O ATOM 0 H SER A 35 4.644 14.128 -11.375 1.00 0.00 H new ATOM 0 HA SER A 35 6.486 15.079 -13.504 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.351 15.062 -10.663 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.717 16.199 -11.945 1.00 0.00 H new ATOM 0 HG SER A 35 5.505 16.120 -10.189 1.00 0.00 H new ATOM 552 N LYS A 36 6.383 12.407 -11.664 1.00 0.00 N ATOM 553 CA LYS A 36 6.836 11.037 -11.497 1.00 0.00 C ATOM 554 C LYS A 36 7.861 10.973 -10.394 1.00 0.00 C ATOM 555 O LYS A 36 8.931 10.368 -10.500 1.00 0.00 O ATOM 556 CB LYS A 36 7.348 10.411 -12.788 1.00 0.00 C ATOM 557 CG LYS A 36 7.411 8.906 -12.700 1.00 0.00 C ATOM 558 CD LYS A 36 7.972 8.284 -13.967 1.00 0.00 C ATOM 559 CE LYS A 36 6.930 8.218 -15.077 1.00 0.00 C ATOM 560 NZ LYS A 36 7.509 7.723 -16.357 1.00 0.00 N ATOM 0 H LYS A 36 5.543 12.624 -11.127 1.00 0.00 H new ATOM 0 HA LYS A 36 5.972 10.436 -11.214 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.697 10.699 -13.614 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.340 10.803 -13.012 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.030 8.618 -11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.412 8.512 -12.514 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.829 8.865 -14.308 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.334 7.279 -13.749 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.115 7.563 -14.770 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.502 9.208 -15.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.767 7.693 -17.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.270 8.362 -16.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.895 6.767 -16.217 1.00 0.00 H new ATOM 574 N MET A 37 7.491 11.636 -9.336 1.00 0.00 N ATOM 575 CA MET A 37 8.238 11.705 -8.137 1.00 0.00 C ATOM 576 C MET A 37 7.254 11.460 -7.019 1.00 0.00 C ATOM 577 O MET A 37 6.044 11.466 -7.240 1.00 0.00 O ATOM 578 CB MET A 37 8.929 13.064 -8.004 1.00 0.00 C ATOM 579 CG MET A 37 8.141 14.226 -8.576 1.00 0.00 C ATOM 580 SD MET A 37 9.182 15.670 -8.886 1.00 0.00 S ATOM 581 CE MET A 37 10.352 15.011 -10.077 1.00 0.00 C ATOM 0 H MET A 37 6.619 12.163 -9.296 1.00 0.00 H new ATOM 0 HA MET A 37 9.036 10.963 -8.115 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.124 13.257 -6.949 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.897 13.016 -8.503 1.00 0.00 H new ATOM 0 HG2 MET A 37 7.665 13.917 -9.507 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.343 14.497 -7.885 1.00 0.00 H new ATOM 0 HE1 MET A 37 10.495 15.731 -10.883 1.00 0.00 H new ATOM 0 HE2 MET A 37 11.306 14.823 -9.584 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.966 14.078 -10.488 1.00 0.00 H new ATOM 591 N TYR A 38 7.748 11.276 -5.838 1.00 0.00 N ATOM 592 CA TYR A 38 6.913 10.990 -4.716 1.00 0.00 C ATOM 593 C TYR A 38 7.457 11.758 -3.528 1.00 0.00 C ATOM 594 O TYR A 38 8.627 12.146 -3.531 1.00 0.00 O ATOM 595 CB TYR A 38 6.878 9.483 -4.427 1.00 0.00 C ATOM 596 CG TYR A 38 8.209 8.871 -4.087 1.00 0.00 C ATOM 597 CD1 TYR A 38 9.018 8.323 -5.070 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.646 8.824 -2.776 1.00 0.00 C ATOM 599 CE1 TYR A 38 10.227 7.746 -4.752 1.00 0.00 C ATOM 600 CE2 TYR A 38 9.854 8.253 -2.449 1.00 0.00 C ATOM 601 CZ TYR A 38 10.643 7.713 -3.440 1.00 0.00 C ATOM 602 OH TYR A 38 11.843 7.133 -3.115 1.00 0.00 O ATOM 0 H TYR A 38 8.744 11.320 -5.623 1.00 0.00 H new ATOM 0 HA TYR A 38 5.888 11.296 -4.923 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.190 9.302 -3.601 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.471 8.970 -5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.695 8.349 -6.100 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.028 9.243 -1.995 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.846 7.321 -5.528 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.182 8.228 -1.420 1.00 0.00 H new ATOM 0 HH TYR A 38 11.985 7.196 -2.147 1.00 0.00 H new ATOM 612 N THR A 39 6.643 11.992 -2.529 1.00 0.00 N ATOM 613 CA THR A 39 7.100 12.714 -1.370 1.00 0.00 C ATOM 614 C THR A 39 6.980 11.849 -0.125 1.00 0.00 C ATOM 615 O THR A 39 5.883 11.515 0.323 1.00 0.00 O ATOM 616 CB THR A 39 6.350 14.041 -1.203 1.00 0.00 C ATOM 617 OG1 THR A 39 5.008 13.823 -0.742 1.00 0.00 O ATOM 618 CG2 THR A 39 6.309 14.806 -2.513 1.00 0.00 C ATOM 0 H THR A 39 5.668 11.695 -2.495 1.00 0.00 H new ATOM 0 HA THR A 39 8.152 12.957 -1.516 1.00 0.00 H new ATOM 0 HB THR A 39 6.890 14.627 -0.459 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.973 12.996 -0.217 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.772 15.744 -2.370 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.326 15.017 -2.843 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.799 14.208 -3.268 1.00 0.00 H new ATOM 626 N SER A 40 8.128 11.481 0.412 1.00 0.00 N ATOM 627 CA SER A 40 8.206 10.625 1.583 1.00 0.00 C ATOM 628 C SER A 40 8.328 11.440 2.867 1.00 0.00 C ATOM 629 O SER A 40 8.396 12.665 2.842 1.00 0.00 O ATOM 630 CB SER A 40 9.417 9.697 1.444 1.00 0.00 C ATOM 631 OG SER A 40 9.295 8.553 2.270 1.00 0.00 O ATOM 0 H SER A 40 9.037 11.768 0.048 1.00 0.00 H new ATOM 0 HA SER A 40 7.287 10.042 1.645 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.521 9.386 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.325 10.241 1.706 1.00 0.00 H new ATOM 0 HG SER A 40 10.083 7.982 2.156 1.00 0.00 H new ATOM 637 N ILE A 41 8.299 10.752 3.992 1.00 0.00 N ATOM 638 CA ILE A 41 8.472 11.408 5.278 1.00 0.00 C ATOM 639 C ILE A 41 9.499 10.649 6.098 1.00 0.00 C ATOM 640 O ILE A 41 9.348 9.446 6.313 1.00 0.00 O ATOM 641 CB ILE A 41 7.167 11.481 6.095 1.00 0.00 C ATOM 642 CG1 ILE A 41 5.969 11.697 5.182 1.00 0.00 C ATOM 643 CG2 ILE A 41 7.250 12.585 7.135 1.00 0.00 C ATOM 644 CD1 ILE A 41 4.842 10.738 5.460 1.00 0.00 C ATOM 0 H ILE A 41 8.158 9.743 4.044 1.00 0.00 H new ATOM 0 HA ILE A 41 8.798 12.427 5.068 1.00 0.00 H new ATOM 0 HB ILE A 41 7.035 10.530 6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.608 12.719 5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.285 11.588 4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.320 12.621 7.702 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.080 12.385 7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.410 13.542 6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.016 10.940 4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.190 9.715 5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.503 10.863 6.488 1.00 0.00 H new ATOM 656 N PRO A 42 10.551 11.319 6.572 1.00 0.00 N ATOM 657 CA PRO A 42 11.573 10.666 7.357 1.00 0.00 C ATOM 658 C PRO A 42 11.146 10.516 8.807 1.00 0.00 C ATOM 659 O PRO A 42 10.985 11.499 9.534 1.00 0.00 O ATOM 660 CB PRO A 42 12.786 11.596 7.241 1.00 0.00 C ATOM 661 CG PRO A 42 12.320 12.821 6.517 1.00 0.00 C ATOM 662 CD PRO A 42 10.821 12.745 6.414 1.00 0.00 C ATOM 0 HA PRO A 42 11.781 9.656 7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 42 13.173 11.853 8.227 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.596 11.110 6.698 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.622 13.721 7.053 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.770 12.874 5.526 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.333 13.336 7.189 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.463 13.119 5.455 1.00 0.00 H new ATOM 670 N ASN A 43 10.962 9.277 9.220 1.00 0.00 N ATOM 671 CA ASN A 43 10.570 8.987 10.587 1.00 0.00 C ATOM 672 C ASN A 43 11.823 8.715 11.397 1.00 0.00 C ATOM 673 O ASN A 43 11.853 8.874 12.617 1.00 0.00 O ATOM 674 CB ASN A 43 9.612 7.797 10.633 1.00 0.00 C ATOM 675 CG ASN A 43 8.781 7.772 11.902 1.00 0.00 C ATOM 676 OD1 ASN A 43 8.505 8.945 12.454 1.00 0.00 O flip ATOM 677 ND2 ASN A 43 8.380 6.709 12.377 1.00 0.00 N flip ATOM 0 H ASN A 43 11.078 8.454 8.629 1.00 0.00 H new ATOM 0 HA ASN A 43 10.042 9.840 11.012 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.949 7.834 9.769 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.183 6.871 10.557 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.614 5.827 11.922 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.814 6.711 13.225 1.00 0.00 H new ATOM 684 N ASP A 44 12.858 8.311 10.682 1.00 0.00 N ATOM 685 CA ASP A 44 14.161 8.042 11.260 1.00 0.00 C ATOM 686 C ASP A 44 15.187 8.851 10.485 1.00 0.00 C ATOM 687 O ASP A 44 15.286 8.741 9.264 1.00 0.00 O ATOM 688 CB ASP A 44 14.491 6.542 11.238 1.00 0.00 C ATOM 689 CG ASP A 44 14.610 5.953 9.842 1.00 0.00 C ATOM 690 OD1 ASP A 44 13.701 6.164 9.012 1.00 0.00 O ATOM 691 OD2 ASP A 44 15.606 5.247 9.571 1.00 0.00 O ATOM 0 H ASP A 44 12.816 8.159 9.674 1.00 0.00 H new ATOM 0 HA ASP A 44 14.170 8.336 12.310 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.428 6.379 11.770 1.00 0.00 H new ATOM 0 HB3 ASP A 44 13.717 6.003 11.783 1.00 0.00 H new ATOM 696 N LYS A 45 15.921 9.695 11.187 1.00 0.00 N ATOM 697 CA LYS A 45 16.899 10.557 10.544 1.00 0.00 C ATOM 698 C LYS A 45 18.319 10.258 10.999 1.00 0.00 C ATOM 699 O LYS A 45 18.599 10.193 12.198 1.00 0.00 O ATOM 700 CB LYS A 45 16.574 12.028 10.823 1.00 0.00 C ATOM 701 CG LYS A 45 15.382 12.550 10.034 1.00 0.00 C ATOM 702 CD LYS A 45 14.087 12.443 10.814 1.00 0.00 C ATOM 703 CE LYS A 45 13.964 13.567 11.827 1.00 0.00 C ATOM 704 NZ LYS A 45 12.679 13.517 12.569 1.00 0.00 N ATOM 0 H LYS A 45 15.860 9.803 12.199 1.00 0.00 H new ATOM 0 HA LYS A 45 16.842 10.359 9.474 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.376 12.152 11.888 1.00 0.00 H new ATOM 0 HB3 LYS A 45 17.448 12.635 10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.556 13.591 9.763 1.00 0.00 H new ATOM 0 HG3 LYS A 45 15.291 11.990 9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.241 12.475 10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.046 11.482 11.326 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.792 13.509 12.534 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.049 14.526 11.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.640 14.303 13.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.888 13.599 11.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.608 12.614 13.080 1.00 0.00 H new ATOM 718 N PRO A 46 19.230 10.051 10.035 1.00 0.00 N ATOM 719 CA PRO A 46 20.641 9.795 10.323 1.00 0.00 C ATOM 720 C PRO A 46 21.358 11.063 10.790 1.00 0.00 C ATOM 721 O PRO A 46 22.399 11.003 11.444 1.00 0.00 O ATOM 722 CB PRO A 46 21.198 9.317 8.982 1.00 0.00 C ATOM 723 CG PRO A 46 20.304 9.927 7.956 1.00 0.00 C ATOM 724 CD PRO A 46 18.939 10.002 8.587 1.00 0.00 C ATOM 0 HA PRO A 46 20.779 9.072 11.127 1.00 0.00 H new ATOM 0 HB2 PRO A 46 22.231 9.637 8.847 1.00 0.00 H new ATOM 0 HB3 PRO A 46 21.190 8.229 8.916 1.00 0.00 H new ATOM 0 HG2 PRO A 46 20.657 10.918 7.671 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.282 9.323 7.049 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.393 10.886 8.257 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.330 9.136 8.329 1.00 0.00 H new ATOM 732 N GLY A 47 20.788 12.215 10.446 1.00 0.00 N ATOM 733 CA GLY A 47 21.363 13.485 10.845 1.00 0.00 C ATOM 734 C GLY A 47 22.270 14.096 9.795 1.00 0.00 C ATOM 735 O GLY A 47 21.914 15.097 9.167 1.00 0.00 O ATOM 0 H GLY A 47 19.933 12.290 9.895 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.558 14.185 11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 47 21.929 13.345 11.766 1.00 0.00 H new ATOM 739 N GLY A 48 23.433 13.489 9.597 1.00 0.00 N ATOM 740 CA GLY A 48 24.397 14.004 8.638 1.00 0.00 C ATOM 741 C GLY A 48 24.042 13.700 7.195 1.00 0.00 C ATOM 742 O GLY A 48 24.722 12.918 6.531 1.00 0.00 O ATOM 0 H GLY A 48 23.729 12.644 10.086 1.00 0.00 H new ATOM 0 HA2 GLY A 48 24.480 15.084 8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.377 13.582 8.859 1.00 0.00 H new ATOM 746 N SER A 49 22.965 14.304 6.713 1.00 0.00 N ATOM 747 CA SER A 49 22.528 14.128 5.333 1.00 0.00 C ATOM 748 C SER A 49 21.698 15.321 4.885 1.00 0.00 C ATOM 749 O SER A 49 20.656 15.617 5.475 1.00 0.00 O ATOM 750 CB SER A 49 21.694 12.859 5.162 1.00 0.00 C ATOM 751 OG SER A 49 22.259 11.766 5.863 1.00 0.00 O ATOM 0 H SER A 49 22.372 14.926 7.262 1.00 0.00 H new ATOM 0 HA SER A 49 23.426 14.043 4.721 1.00 0.00 H new ATOM 0 HB2 SER A 49 20.681 13.038 5.521 1.00 0.00 H new ATOM 0 HB3 SER A 49 21.618 12.613 4.103 1.00 0.00 H new ATOM 0 HG SER A 49 21.701 10.971 5.734 1.00 0.00 H new ATOM 757 N SER A 50 22.155 15.998 3.847 1.00 0.00 N ATOM 758 CA SER A 50 21.446 17.144 3.313 1.00 0.00 C ATOM 759 C SER A 50 20.280 16.684 2.443 1.00 0.00 C ATOM 760 O SER A 50 19.123 17.000 2.717 1.00 0.00 O ATOM 761 CB SER A 50 22.412 17.998 2.501 1.00 0.00 C ATOM 762 OG SER A 50 23.573 17.247 2.183 1.00 0.00 O ATOM 0 H SER A 50 23.019 15.771 3.355 1.00 0.00 H new ATOM 0 HA SER A 50 21.045 17.738 4.134 1.00 0.00 H new ATOM 0 HB2 SER A 50 21.928 18.340 1.586 1.00 0.00 H new ATOM 0 HB3 SER A 50 22.688 18.888 3.067 1.00 0.00 H new ATOM 0 HG SER A 50 24.190 17.260 2.944 1.00 0.00 H new ATOM 768 N GLN A 51 20.587 15.902 1.416 1.00 0.00 N ATOM 769 CA GLN A 51 19.566 15.403 0.507 1.00 0.00 C ATOM 770 C GLN A 51 19.350 13.911 0.714 1.00 0.00 C ATOM 771 O GLN A 51 19.884 13.086 -0.028 1.00 0.00 O ATOM 772 CB GLN A 51 19.957 15.682 -0.943 1.00 0.00 C ATOM 773 CG GLN A 51 20.602 17.037 -1.134 1.00 0.00 C ATOM 774 CD GLN A 51 20.899 17.338 -2.590 1.00 0.00 C ATOM 775 OE1 GLN A 51 20.057 17.870 -3.315 1.00 0.00 O ATOM 776 NE2 GLN A 51 22.101 17.003 -3.027 1.00 0.00 N ATOM 0 H GLN A 51 21.535 15.600 1.193 1.00 0.00 H new ATOM 0 HA GLN A 51 18.633 15.923 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 51 20.645 14.908 -1.283 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.069 15.617 -1.571 1.00 0.00 H new ATOM 0 HG2 GLN A 51 19.944 17.809 -0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 51 21.528 17.079 -0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 51 22.770 16.564 -2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 51 22.360 17.184 -3.997 1.00 0.00 H new ATOM 785 N ALA A 52 18.569 13.578 1.730 1.00 0.00 N ATOM 786 CA ALA A 52 18.278 12.186 2.059 1.00 0.00 C ATOM 787 C ALA A 52 17.198 12.111 3.124 1.00 0.00 C ATOM 788 O ALA A 52 16.258 11.322 3.026 1.00 0.00 O ATOM 789 CB ALA A 52 19.535 11.468 2.534 1.00 0.00 C ATOM 0 H ALA A 52 18.121 14.256 2.346 1.00 0.00 H new ATOM 0 HA ALA A 52 17.919 11.690 1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 52 19.294 10.432 2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 52 20.288 11.492 1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 52 19.924 11.965 3.423 1.00 0.00 H new ATOM 795 N THR A 53 17.338 12.940 4.146 1.00 0.00 N ATOM 796 CA THR A 53 16.373 12.963 5.227 1.00 0.00 C ATOM 797 C THR A 53 15.874 14.383 5.491 1.00 0.00 C ATOM 798 O THR A 53 14.812 14.581 6.073 1.00 0.00 O ATOM 799 CB THR A 53 16.977 12.330 6.505 1.00 0.00 C ATOM 800 OG1 THR A 53 15.971 11.616 7.223 1.00 0.00 O ATOM 801 CG2 THR A 53 17.619 13.375 7.411 1.00 0.00 C ATOM 0 H THR A 53 18.107 13.602 4.247 1.00 0.00 H new ATOM 0 HA THR A 53 15.511 12.366 4.929 1.00 0.00 H new ATOM 0 HB THR A 53 17.760 11.640 6.189 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.228 10.673 7.295 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.030 12.887 8.295 1.00 0.00 H new ATOM 0 HG22 THR A 53 18.419 13.882 6.872 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.868 14.104 7.715 1.00 0.00 H new ATOM 809 N LYS A 54 16.632 15.368 5.044 1.00 0.00 N ATOM 810 CA LYS A 54 16.245 16.753 5.230 1.00 0.00 C ATOM 811 C LYS A 54 15.507 17.269 4.001 1.00 0.00 C ATOM 812 O LYS A 54 15.956 17.057 2.874 1.00 0.00 O ATOM 813 CB LYS A 54 17.474 17.616 5.496 1.00 0.00 C ATOM 814 CG LYS A 54 18.107 17.385 6.858 1.00 0.00 C ATOM 815 CD LYS A 54 19.153 18.443 7.169 1.00 0.00 C ATOM 816 CE LYS A 54 19.906 18.117 8.446 1.00 0.00 C ATOM 817 NZ LYS A 54 20.854 19.199 8.830 1.00 0.00 N ATOM 0 H LYS A 54 17.515 15.235 4.552 1.00 0.00 H new ATOM 0 HA LYS A 54 15.579 16.810 6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 54 18.217 17.420 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 54 17.194 18.666 5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 54 17.335 17.398 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 54 18.567 16.397 6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 54 19.856 18.517 6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 54 18.671 19.416 7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 54 19.194 17.956 9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 54 20.455 17.185 8.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 21.346 18.934 9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.551 19.336 8.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 20.328 20.083 8.982 1.00 0.00 H new ATOM 831 N GLU A 55 14.370 17.923 4.237 1.00 0.00 N ATOM 832 CA GLU A 55 13.548 18.503 3.173 1.00 0.00 C ATOM 833 C GLU A 55 13.177 17.480 2.110 1.00 0.00 C ATOM 834 O GLU A 55 13.788 17.419 1.042 1.00 0.00 O ATOM 835 CB GLU A 55 14.260 19.695 2.524 1.00 0.00 C ATOM 836 CG GLU A 55 14.620 20.798 3.505 1.00 0.00 C ATOM 837 CD GLU A 55 13.400 21.448 4.118 1.00 0.00 C ATOM 838 OE1 GLU A 55 13.236 21.377 5.352 1.00 0.00 O ATOM 839 OE2 GLU A 55 12.599 22.043 3.366 1.00 0.00 O ATOM 0 H GLU A 55 13.991 18.066 5.173 1.00 0.00 H new ATOM 0 HA GLU A 55 12.625 18.846 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.169 19.343 2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 55 13.620 20.109 1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.245 20.386 4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.213 21.556 2.993 1.00 0.00 H new ATOM 846 N ILE A 56 12.171 16.677 2.405 1.00 0.00 N ATOM 847 CA ILE A 56 11.719 15.677 1.461 1.00 0.00 C ATOM 848 C ILE A 56 10.908 16.322 0.355 1.00 0.00 C ATOM 849 O ILE A 56 9.698 16.514 0.473 1.00 0.00 O ATOM 850 CB ILE A 56 10.882 14.577 2.118 1.00 0.00 C ATOM 851 CG1 ILE A 56 11.661 13.916 3.262 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.504 13.553 1.060 1.00 0.00 C ATOM 853 CD1 ILE A 56 12.955 13.249 2.824 1.00 0.00 C ATOM 0 H ILE A 56 11.656 16.699 3.285 1.00 0.00 H new ATOM 0 HA ILE A 56 12.616 15.213 1.051 1.00 0.00 H new ATOM 0 HB ILE A 56 9.977 15.010 2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.890 14.670 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.024 13.171 3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.907 12.763 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.925 14.038 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.409 13.122 0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.447 12.805 3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.734 12.471 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.613 13.992 2.374 1.00 0.00 H new ATOM 865 N LYS A 57 11.602 16.687 -0.702 1.00 0.00 N ATOM 866 CA LYS A 57 10.972 17.264 -1.862 1.00 0.00 C ATOM 867 C LYS A 57 10.592 16.116 -2.778 1.00 0.00 C ATOM 868 O LYS A 57 11.114 15.014 -2.607 1.00 0.00 O ATOM 869 CB LYS A 57 11.923 18.245 -2.553 1.00 0.00 C ATOM 870 CG LYS A 57 12.391 19.366 -1.642 1.00 0.00 C ATOM 871 CD LYS A 57 13.480 20.202 -2.292 1.00 0.00 C ATOM 872 CE LYS A 57 14.085 21.177 -1.297 1.00 0.00 C ATOM 873 NZ LYS A 57 13.087 22.167 -0.809 1.00 0.00 N ATOM 0 H LYS A 57 12.615 16.591 -0.778 1.00 0.00 H new ATOM 0 HA LYS A 57 10.083 17.832 -1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.791 17.700 -2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.423 18.675 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.545 20.005 -1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.764 18.944 -0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.259 19.549 -2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.066 20.750 -3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.492 20.625 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.918 21.702 -1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.559 22.864 -0.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.655 22.653 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.348 21.676 -0.266 1.00 0.00 H new ATOM 887 N PRO A 58 9.677 16.327 -3.732 1.00 0.00 N ATOM 888 CA PRO A 58 9.251 15.267 -4.644 1.00 0.00 C ATOM 889 C PRO A 58 10.436 14.568 -5.309 1.00 0.00 C ATOM 890 O PRO A 58 11.131 15.147 -6.147 1.00 0.00 O ATOM 891 CB PRO A 58 8.389 16.005 -5.669 1.00 0.00 C ATOM 892 CG PRO A 58 7.890 17.209 -4.952 1.00 0.00 C ATOM 893 CD PRO A 58 8.975 17.597 -3.987 1.00 0.00 C ATOM 0 HA PRO A 58 8.715 14.468 -4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.970 16.281 -6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.565 15.381 -6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.681 18.020 -5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.960 16.992 -4.427 1.00 0.00 H new ATOM 0 HD2 PRO A 58 9.642 18.346 -4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.565 18.020 -3.070 1.00 0.00 H new ATOM 901 N GLN A 59 10.674 13.325 -4.905 1.00 0.00 N ATOM 902 CA GLN A 59 11.781 12.535 -5.430 1.00 0.00 C ATOM 903 C GLN A 59 11.303 11.526 -6.448 1.00 0.00 C ATOM 904 O GLN A 59 10.388 10.753 -6.188 1.00 0.00 O ATOM 905 CB GLN A 59 12.504 11.802 -4.309 1.00 0.00 C ATOM 906 CG GLN A 59 13.227 12.728 -3.360 1.00 0.00 C ATOM 907 CD GLN A 59 13.103 12.287 -1.924 1.00 0.00 C ATOM 908 OE1 GLN A 59 12.977 13.251 -1.037 1.00 0.00 O flip ATOM 909 NE2 GLN A 59 13.089 11.096 -1.619 1.00 0.00 N flip ATOM 0 H GLN A 59 10.109 12.839 -4.209 1.00 0.00 H new ATOM 0 HA GLN A 59 12.468 13.230 -5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.782 11.208 -3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.221 11.105 -4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.281 12.774 -3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 59 12.826 13.736 -3.464 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.190 10.383 -2.342 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.976 10.821 -0.643 1.00 0.00 H new ATOM 918 N LYS A 60 11.924 11.555 -7.607 1.00 0.00 N ATOM 919 CA LYS A 60 11.596 10.646 -8.689 1.00 0.00 C ATOM 920 C LYS A 60 11.957 9.224 -8.301 1.00 0.00 C ATOM 921 O LYS A 60 12.946 9.002 -7.604 1.00 0.00 O ATOM 922 CB LYS A 60 12.331 11.050 -9.973 1.00 0.00 C ATOM 923 CG LYS A 60 12.265 10.004 -11.074 1.00 0.00 C ATOM 924 CD LYS A 60 12.619 10.585 -12.429 1.00 0.00 C ATOM 925 CE LYS A 60 11.482 11.419 -12.990 1.00 0.00 C ATOM 926 NZ LYS A 60 11.624 11.611 -14.454 1.00 0.00 N ATOM 0 H LYS A 60 12.673 12.211 -7.828 1.00 0.00 H new ATOM 0 HA LYS A 60 10.523 10.699 -8.876 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.907 11.983 -10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.376 11.248 -9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.948 9.187 -10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.262 9.580 -11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.514 11.201 -12.340 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.856 9.778 -13.122 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.531 10.932 -12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.461 12.390 -12.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.832 12.185 -14.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.521 12.098 -14.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.619 10.685 -14.928 1.00 0.00 H new ATOM 940 N LEU A 61 11.125 8.279 -8.720 1.00 0.00 N ATOM 941 CA LEU A 61 11.353 6.865 -8.438 1.00 0.00 C ATOM 942 C LEU A 61 12.779 6.451 -8.798 1.00 0.00 C ATOM 943 O LEU A 61 13.162 6.418 -9.969 1.00 0.00 O ATOM 944 CB LEU A 61 10.338 6.015 -9.193 1.00 0.00 C ATOM 945 CG LEU A 61 8.957 5.952 -8.546 1.00 0.00 C ATOM 946 CD1 LEU A 61 8.074 4.953 -9.277 1.00 0.00 C ATOM 947 CD2 LEU A 61 9.075 5.592 -7.078 1.00 0.00 C ATOM 0 H LEU A 61 10.280 8.467 -9.260 1.00 0.00 H new ATOM 0 HA LEU A 61 11.224 6.703 -7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.234 6.409 -10.204 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.729 5.002 -9.285 1.00 0.00 H new ATOM 0 HG LEU A 61 8.494 6.936 -8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.093 4.920 -8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.964 5.258 -10.318 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.531 3.964 -9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.081 5.551 -6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.557 4.619 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.672 6.346 -6.565 1.00 0.00 H new ATOM 959 N GLY A 62 13.554 6.127 -7.770 1.00 0.00 N ATOM 960 CA GLY A 62 14.946 5.755 -7.950 1.00 0.00 C ATOM 961 C GLY A 62 15.180 4.351 -8.485 1.00 0.00 C ATOM 962 O GLY A 62 15.958 3.598 -7.899 1.00 0.00 O ATOM 0 H GLY A 62 13.237 6.115 -6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.410 6.468 -8.632 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.457 5.851 -6.992 1.00 0.00 H new ATOM 966 N GLU A 63 14.509 4.005 -9.587 1.00 0.00 N ATOM 967 CA GLU A 63 14.675 2.705 -10.273 1.00 0.00 C ATOM 968 C GLU A 63 14.190 1.484 -9.475 1.00 0.00 C ATOM 969 O GLU A 63 13.479 0.642 -10.010 1.00 0.00 O ATOM 970 CB GLU A 63 16.142 2.493 -10.671 1.00 0.00 C ATOM 971 CG GLU A 63 16.729 3.638 -11.474 1.00 0.00 C ATOM 972 CD GLU A 63 17.077 3.244 -12.891 1.00 0.00 C ATOM 973 OE1 GLU A 63 18.261 2.953 -13.155 1.00 0.00 O ATOM 974 OE2 GLU A 63 16.173 3.234 -13.752 1.00 0.00 O ATOM 0 H GLU A 63 13.829 4.618 -10.037 1.00 0.00 H new ATOM 0 HA GLU A 63 14.034 2.770 -11.152 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.737 2.352 -9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.222 1.575 -11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 63 16.017 4.463 -11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.625 4.004 -10.973 1.00 0.00 H new ATOM 981 N ASP A 64 14.553 1.400 -8.206 1.00 0.00 N ATOM 982 CA ASP A 64 14.194 0.247 -7.369 1.00 0.00 C ATOM 983 C ASP A 64 13.001 0.608 -6.503 1.00 0.00 C ATOM 984 O ASP A 64 12.796 0.085 -5.407 1.00 0.00 O ATOM 985 CB ASP A 64 15.401 -0.166 -6.508 1.00 0.00 C ATOM 986 CG ASP A 64 15.177 -1.455 -5.739 1.00 0.00 C ATOM 987 OD1 ASP A 64 15.221 -1.420 -4.490 1.00 0.00 O ATOM 988 OD2 ASP A 64 14.953 -2.506 -6.375 1.00 0.00 O ATOM 0 H ASP A 64 15.098 2.115 -7.724 1.00 0.00 H new ATOM 0 HA ASP A 64 13.922 -0.600 -7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.274 -0.281 -7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.627 0.635 -5.804 1.00 0.00 H new ATOM 993 N GLU A 65 12.206 1.501 -7.038 1.00 0.00 N ATOM 994 CA GLU A 65 11.036 2.014 -6.356 1.00 0.00 C ATOM 995 C GLU A 65 9.824 1.934 -7.276 1.00 0.00 C ATOM 996 O GLU A 65 8.777 2.513 -6.998 1.00 0.00 O ATOM 997 CB GLU A 65 11.333 3.455 -5.981 1.00 0.00 C ATOM 998 CG GLU A 65 12.161 3.605 -4.710 1.00 0.00 C ATOM 999 CD GLU A 65 11.395 3.226 -3.458 1.00 0.00 C ATOM 1000 OE1 GLU A 65 10.157 3.390 -3.435 1.00 0.00 O ATOM 1001 OE2 GLU A 65 12.029 2.784 -2.478 1.00 0.00 O ATOM 0 H GLU A 65 12.351 1.898 -7.966 1.00 0.00 H new ATOM 0 HA GLU A 65 10.812 1.429 -5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.862 3.933 -6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.391 3.989 -5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.052 2.982 -4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.501 4.637 -4.623 1.00 0.00 H new ATOM 1008 N SER A 66 10.017 1.214 -8.372 1.00 0.00 N ATOM 1009 CA SER A 66 9.011 1.003 -9.417 1.00 0.00 C ATOM 1010 C SER A 66 7.588 0.811 -8.880 1.00 0.00 C ATOM 1011 O SER A 66 7.308 -0.110 -8.109 1.00 0.00 O ATOM 1012 CB SER A 66 9.411 -0.209 -10.251 1.00 0.00 C ATOM 1013 OG SER A 66 10.813 -0.421 -10.173 1.00 0.00 O ATOM 0 H SER A 66 10.901 0.745 -8.569 1.00 0.00 H new ATOM 0 HA SER A 66 8.987 1.910 -10.020 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.882 -1.094 -9.896 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.117 -0.057 -11.289 1.00 0.00 H new ATOM 0 HG SER A 66 11.056 -1.203 -10.712 1.00 0.00 H new ATOM 1019 N ILE A 67 6.700 1.686 -9.330 1.00 0.00 N ATOM 1020 CA ILE A 67 5.297 1.668 -8.936 1.00 0.00 C ATOM 1021 C ILE A 67 4.437 1.086 -10.052 1.00 0.00 C ATOM 1022 O ILE A 67 4.711 1.331 -11.227 1.00 0.00 O ATOM 1023 CB ILE A 67 4.818 3.107 -8.645 1.00 0.00 C ATOM 1024 CG1 ILE A 67 5.457 3.612 -7.364 1.00 0.00 C ATOM 1025 CG2 ILE A 67 3.302 3.213 -8.565 1.00 0.00 C ATOM 1026 CD1 ILE A 67 5.181 5.064 -7.094 1.00 0.00 C ATOM 0 H ILE A 67 6.934 2.434 -9.983 1.00 0.00 H new ATOM 0 HA ILE A 67 5.200 1.051 -8.043 1.00 0.00 H new ATOM 0 HB ILE A 67 5.131 3.732 -9.481 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.092 3.018 -6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.535 3.458 -7.419 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.020 4.245 -8.359 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.865 2.900 -9.513 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.934 2.570 -7.766 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.666 5.360 -6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.570 5.667 -7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.106 5.220 -7.008 1.00 0.00 H new ATOM 1038 N PRO A 68 3.409 0.288 -9.705 1.00 0.00 N ATOM 1039 CA PRO A 68 2.484 -0.279 -10.691 1.00 0.00 C ATOM 1040 C PRO A 68 2.009 0.792 -11.673 1.00 0.00 C ATOM 1041 O PRO A 68 1.436 1.805 -11.268 1.00 0.00 O ATOM 1042 CB PRO A 68 1.328 -0.774 -9.827 1.00 0.00 C ATOM 1043 CG PRO A 68 1.955 -1.119 -8.522 1.00 0.00 C ATOM 1044 CD PRO A 68 3.087 -0.144 -8.332 1.00 0.00 C ATOM 0 HA PRO A 68 2.933 -1.062 -11.303 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.564 -0.005 -9.709 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.842 -1.641 -10.274 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.233 -1.040 -7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.321 -2.146 -8.525 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.790 0.698 -7.706 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.944 -0.614 -7.849 1.00 0.00 H new ATOM 1052 N GLU A 69 2.250 0.563 -12.957 1.00 0.00 N ATOM 1053 CA GLU A 69 1.894 1.522 -13.998 1.00 0.00 C ATOM 1054 C GLU A 69 0.396 1.791 -14.066 1.00 0.00 C ATOM 1055 O GLU A 69 -0.040 2.763 -14.683 1.00 0.00 O ATOM 1056 CB GLU A 69 2.423 1.057 -15.353 1.00 0.00 C ATOM 1057 CG GLU A 69 3.828 1.555 -15.637 1.00 0.00 C ATOM 1058 CD GLU A 69 4.484 0.840 -16.793 1.00 0.00 C ATOM 1059 OE1 GLU A 69 3.882 0.784 -17.882 1.00 0.00 O ATOM 1060 OE2 GLU A 69 5.612 0.341 -16.615 1.00 0.00 O ATOM 0 H GLU A 69 2.695 -0.286 -13.306 1.00 0.00 H new ATOM 0 HA GLU A 69 2.367 2.468 -13.735 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.415 -0.032 -15.387 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.753 1.406 -16.139 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.793 2.623 -15.850 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.440 1.428 -14.744 1.00 0.00 H new ATOM 1067 N GLU A 70 -0.398 0.943 -13.438 1.00 0.00 N ATOM 1068 CA GLU A 70 -1.833 1.140 -13.428 1.00 0.00 C ATOM 1069 C GLU A 70 -2.227 2.172 -12.374 1.00 0.00 C ATOM 1070 O GLU A 70 -3.336 2.705 -12.405 1.00 0.00 O ATOM 1071 CB GLU A 70 -2.573 -0.180 -13.193 1.00 0.00 C ATOM 1072 CG GLU A 70 -2.209 -0.878 -11.891 1.00 0.00 C ATOM 1073 CD GLU A 70 -1.144 -1.937 -12.077 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -0.030 -1.589 -12.510 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -1.418 -3.121 -11.782 1.00 0.00 O ATOM 0 H GLU A 70 -0.075 0.118 -12.932 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.125 1.517 -14.408 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.646 0.012 -13.201 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.363 -0.854 -14.024 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.858 -0.138 -11.172 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.102 -1.337 -11.467 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.314 2.476 -11.451 1.00 0.00 N ATOM 1083 CA ILE A 71 -1.607 3.447 -10.403 1.00 0.00 C ATOM 1084 C ILE A 71 -0.641 4.630 -10.451 1.00 0.00 C ATOM 1085 O ILE A 71 -0.924 5.696 -9.910 1.00 0.00 O ATOM 1086 CB ILE A 71 -1.560 2.801 -9.002 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.136 2.374 -8.644 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.507 1.608 -8.939 1.00 0.00 C ATOM 1089 CD1 ILE A 71 0.022 1.946 -7.204 1.00 0.00 C ATOM 0 H ILE A 71 -0.379 2.069 -11.409 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.618 3.810 -10.588 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.883 3.544 -8.272 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.162 1.551 -9.294 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.544 3.202 -8.845 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.464 1.162 -7.946 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.525 1.940 -9.144 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.210 0.868 -9.682 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.057 1.657 -7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.244 2.774 -6.547 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.632 1.098 -7.003 1.00 0.00 H new ATOM 1101 N ILE A 72 0.488 4.430 -11.125 1.00 0.00 N ATOM 1102 CA ILE A 72 1.538 5.445 -11.269 1.00 0.00 C ATOM 1103 C ILE A 72 1.009 6.748 -11.855 1.00 0.00 C ATOM 1104 O ILE A 72 1.571 7.813 -11.627 1.00 0.00 O ATOM 1105 CB ILE A 72 2.662 4.888 -12.159 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.997 5.599 -11.886 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.292 4.948 -13.638 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.330 6.710 -12.865 1.00 0.00 C ATOM 0 H ILE A 72 0.706 3.550 -11.593 1.00 0.00 H new ATOM 0 HA ILE A 72 1.920 5.673 -10.274 1.00 0.00 H new ATOM 0 HB ILE A 72 2.789 3.837 -11.900 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.973 6.015 -10.879 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.798 4.861 -11.908 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.111 4.546 -14.235 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.392 4.358 -13.812 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.108 5.983 -13.925 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.288 7.156 -12.597 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.390 6.301 -13.873 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.552 7.472 -12.828 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.075 6.664 -12.598 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.645 7.846 -13.205 1.00 0.00 C ATOM 1122 C ASN A 73 -1.932 8.232 -12.495 1.00 0.00 C ATOM 1123 O ASN A 73 -2.705 9.056 -12.979 1.00 0.00 O ATOM 1124 CB ASN A 73 -0.894 7.606 -14.695 1.00 0.00 C ATOM 1125 CG ASN A 73 -0.698 8.859 -15.524 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.636 9.617 -15.766 1.00 0.00 O ATOM 1127 ND2 ASN A 73 0.528 9.084 -15.963 1.00 0.00 N ATOM 0 H ASN A 73 -0.575 5.797 -12.794 1.00 0.00 H new ATOM 0 HA ASN A 73 0.060 8.671 -13.105 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.219 6.828 -15.052 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.910 7.236 -14.836 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.724 9.912 -16.525 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.278 8.430 -15.739 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.149 7.644 -11.330 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.363 7.943 -10.585 1.00 0.00 C ATOM 1136 C GLY A 74 -3.102 8.344 -9.147 1.00 0.00 C ATOM 1137 O GLY A 74 -3.941 8.101 -8.284 1.00 0.00 O ATOM 0 H GLY A 74 -1.520 6.974 -10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.900 8.748 -11.087 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.014 7.069 -10.598 1.00 0.00 H new ATOM 1141 N LYS A 75 -1.955 8.993 -8.915 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.524 9.428 -7.577 1.00 0.00 C ATOM 1143 C LYS A 75 -1.488 8.249 -6.613 1.00 0.00 C ATOM 1144 O LYS A 75 -2.521 7.741 -6.170 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.403 10.554 -7.022 1.00 0.00 C ATOM 1146 CG LYS A 75 -1.889 11.115 -5.705 1.00 0.00 C ATOM 1147 CD LYS A 75 -2.284 12.570 -5.514 1.00 0.00 C ATOM 1148 CE LYS A 75 -1.686 13.140 -4.236 1.00 0.00 C ATOM 1149 NZ LYS A 75 -2.652 13.996 -3.497 1.00 0.00 N ATOM 0 H LYS A 75 -1.294 9.234 -9.654 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.515 9.829 -7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.460 11.358 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.417 10.180 -6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.282 10.521 -4.880 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.803 11.027 -5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.947 13.156 -6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.370 12.653 -5.479 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.362 12.322 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.799 13.724 -4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.359 14.070 -2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.672 14.944 -3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.601 13.573 -3.548 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.292 7.844 -6.247 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.140 6.696 -5.377 1.00 0.00 C ATOM 1165 C CYS A 76 0.217 7.122 -3.970 1.00 0.00 C ATOM 1166 O CYS A 76 0.483 8.296 -3.710 1.00 0.00 O ATOM 1167 CB CYS A 76 0.935 5.749 -5.913 1.00 0.00 C ATOM 1168 SG CYS A 76 0.932 5.564 -7.704 1.00 0.00 S ATOM 0 H CYS A 76 0.581 8.286 -6.534 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.097 6.174 -5.353 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.913 6.113 -5.599 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.799 4.768 -5.458 1.00 0.00 H new ATOM 0 HG CYS A 76 1.438 6.629 -8.251 1.00 0.00 H new ATOM 1174 N PHE A 77 0.182 6.162 -3.066 1.00 0.00 N ATOM 1175 CA PHE A 77 0.522 6.393 -1.679 1.00 0.00 C ATOM 1176 C PHE A 77 1.190 5.162 -1.101 1.00 0.00 C ATOM 1177 O PHE A 77 0.580 4.097 -1.005 1.00 0.00 O ATOM 1178 CB PHE A 77 -0.726 6.736 -0.858 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.372 8.027 -1.261 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -2.573 8.034 -1.949 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -0.770 9.231 -0.967 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -3.157 9.223 -2.340 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -1.348 10.420 -1.348 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.541 10.419 -2.037 1.00 0.00 C ATOM 0 H PHE A 77 -0.084 5.200 -3.275 1.00 0.00 H new ATOM 0 HA PHE A 77 1.209 7.238 -1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.451 5.929 -0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.454 6.789 0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.059 7.098 -2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.167 9.242 -0.431 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.092 9.216 -2.881 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.866 11.356 -1.107 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.993 11.352 -2.339 1.00 0.00 H new ATOM 1194 N PHE A 78 2.450 5.291 -0.746 1.00 0.00 N ATOM 1195 CA PHE A 78 3.168 4.183 -0.156 1.00 0.00 C ATOM 1196 C PHE A 78 2.851 4.166 1.318 1.00 0.00 C ATOM 1197 O PHE A 78 3.399 4.946 2.098 1.00 0.00 O ATOM 1198 CB PHE A 78 4.676 4.292 -0.380 1.00 0.00 C ATOM 1199 CG PHE A 78 5.434 3.090 0.108 1.00 0.00 C ATOM 1200 CD1 PHE A 78 5.466 1.928 -0.644 1.00 0.00 C ATOM 1201 CD2 PHE A 78 6.103 3.119 1.320 1.00 0.00 C ATOM 1202 CE1 PHE A 78 6.152 0.816 -0.195 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.793 2.011 1.772 1.00 0.00 C ATOM 1204 CZ PHE A 78 6.817 0.857 1.015 1.00 0.00 C ATOM 0 H PHE A 78 2.995 6.146 -0.855 1.00 0.00 H new ATOM 0 HA PHE A 78 2.853 3.254 -0.632 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.870 4.429 -1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.049 5.181 0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.949 1.890 -1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.085 4.018 1.919 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.168 -0.085 -0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.314 2.048 2.718 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.354 -0.011 1.368 1.00 0.00 H new ATOM 1214 N ILE A 79 1.924 3.313 1.680 1.00 0.00 N ATOM 1215 CA ILE A 79 1.490 3.209 3.048 1.00 0.00 C ATOM 1216 C ILE A 79 2.019 1.975 3.700 1.00 0.00 C ATOM 1217 O ILE A 79 2.407 0.998 3.052 1.00 0.00 O ATOM 1218 CB ILE A 79 -0.046 3.160 3.179 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.532 1.713 2.985 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.712 4.123 2.206 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.584 1.536 1.920 1.00 0.00 C ATOM 0 H ILE A 79 1.453 2.676 1.038 1.00 0.00 H new ATOM 0 HA ILE A 79 1.877 4.104 3.536 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.331 3.485 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.325 1.087 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.929 1.348 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.794 4.066 2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.378 5.139 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.441 3.854 1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.864 0.484 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.462 2.130 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.188 1.865 0.959 1.00 0.00 H new ATOM 1233 N HIS A 80 2.021 2.053 4.989 1.00 0.00 N ATOM 1234 CA HIS A 80 2.397 0.966 5.819 1.00 0.00 C ATOM 1235 C HIS A 80 1.115 0.546 6.515 1.00 0.00 C ATOM 1236 O HIS A 80 0.528 1.341 7.256 1.00 0.00 O ATOM 1237 CB HIS A 80 3.489 1.416 6.790 1.00 0.00 C ATOM 1238 CG HIS A 80 3.511 0.662 8.070 1.00 0.00 C ATOM 1239 ND1 HIS A 80 4.233 -0.486 8.275 1.00 0.00 N ATOM 1240 CD2 HIS A 80 2.877 0.922 9.219 1.00 0.00 C ATOM 1241 CE1 HIS A 80 4.032 -0.907 9.509 1.00 0.00 C ATOM 1242 NE2 HIS A 80 3.209 -0.066 10.110 1.00 0.00 N ATOM 0 H HIS A 80 1.755 2.893 5.502 1.00 0.00 H new ATOM 0 HA HIS A 80 2.822 0.124 5.273 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.459 1.312 6.303 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.353 2.475 7.007 1.00 0.00 H new ATOM 0 HD1 HIS A 80 4.830 -0.941 7.584 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.222 1.759 9.410 1.00 0.00 H new ATOM 0 HE1 HIS A 80 4.467 -1.790 9.953 1.00 0.00 H new ATOM 1251 N TYR A 81 0.644 -0.652 6.221 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.600 -1.139 6.795 1.00 0.00 C ATOM 1253 C TYR A 81 -0.562 -1.098 8.319 1.00 0.00 C ATOM 1254 O TYR A 81 0.192 -1.826 8.966 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.912 -2.538 6.267 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.579 -2.504 4.907 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -0.835 -2.311 3.749 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -2.955 -2.638 4.785 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -1.446 -2.251 2.507 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -3.572 -2.584 3.549 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.816 -2.389 2.413 1.00 0.00 C ATOM 1262 OH TYR A 81 -3.437 -2.318 1.183 1.00 0.00 O ATOM 0 H TYR A 81 1.103 -1.307 5.588 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.408 -0.477 6.485 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.011 -3.114 6.202 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.561 -3.055 6.974 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.238 -2.206 3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.554 -2.787 5.671 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.853 -2.097 1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.644 -2.694 3.474 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.819 -1.934 0.526 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.384 -0.211 8.866 1.00 0.00 N ATOM 1273 CA GLN A 82 -1.482 0.000 10.301 1.00 0.00 C ATOM 1274 C GLN A 82 -2.035 -1.239 10.985 1.00 0.00 C ATOM 1275 O GLN A 82 -3.148 -1.675 10.694 1.00 0.00 O ATOM 1276 CB GLN A 82 -2.379 1.209 10.584 1.00 0.00 C ATOM 1277 CG GLN A 82 -1.841 2.147 11.654 1.00 0.00 C ATOM 1278 CD GLN A 82 -2.166 1.698 13.066 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -3.312 1.061 13.234 1.00 0.00 O flip ATOM 1280 NE2 GLN A 82 -1.395 1.935 13.994 1.00 0.00 N flip ATOM 0 H GLN A 82 -2.005 0.386 8.320 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.486 0.193 10.699 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.516 1.770 9.660 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.363 0.854 10.889 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.759 2.227 11.546 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.252 3.144 11.494 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.521 2.430 13.817 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.630 1.637 14.941 1.00 0.00 H new ATOM 1289 N GLY A 83 -1.246 -1.805 11.881 1.00 0.00 N ATOM 1290 CA GLY A 83 -1.659 -2.998 12.586 1.00 0.00 C ATOM 1291 C GLY A 83 -0.799 -4.176 12.191 1.00 0.00 C ATOM 1292 O GLY A 83 -0.805 -5.219 12.848 1.00 0.00 O ATOM 0 H GLY A 83 -0.321 -1.458 12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.588 -2.834 13.661 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.704 -3.214 12.365 1.00 0.00 H new ATOM 1296 N TRP A 84 -0.054 -3.993 11.110 1.00 0.00 N ATOM 1297 CA TRP A 84 0.839 -5.020 10.601 1.00 0.00 C ATOM 1298 C TRP A 84 2.269 -4.496 10.580 1.00 0.00 C ATOM 1299 O TRP A 84 2.574 -3.457 11.175 1.00 0.00 O ATOM 1300 CB TRP A 84 0.428 -5.440 9.184 1.00 0.00 C ATOM 1301 CG TRP A 84 -1.038 -5.698 9.015 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -1.961 -4.836 8.503 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -1.745 -6.897 9.346 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -3.201 -5.421 8.497 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -3.098 -6.685 9.012 1.00 0.00 C ATOM 1306 CE3 TRP A 84 -1.371 -8.129 9.894 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -4.074 -7.660 9.207 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 -2.342 -9.094 10.085 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -3.679 -8.853 9.743 1.00 0.00 C ATOM 0 H TRP A 84 -0.052 -3.131 10.564 1.00 0.00 H new ATOM 0 HA TRP A 84 0.776 -5.888 11.257 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.730 -4.660 8.485 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.977 -6.342 8.912 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.747 -3.837 8.153 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.061 -4.985 8.163 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.343 -8.322 10.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -5.106 -7.479 8.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -2.065 -10.050 10.505 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -4.414 -9.627 9.907 1.00 0.00 H new ATOM 1320 N LYS A 85 3.141 -5.212 9.892 1.00 0.00 N ATOM 1321 CA LYS A 85 4.534 -4.817 9.772 1.00 0.00 C ATOM 1322 C LYS A 85 4.780 -4.240 8.386 1.00 0.00 C ATOM 1323 O LYS A 85 3.864 -4.189 7.567 1.00 0.00 O ATOM 1324 CB LYS A 85 5.454 -6.009 10.035 1.00 0.00 C ATOM 1325 CG LYS A 85 4.922 -7.328 9.497 1.00 0.00 C ATOM 1326 CD LYS A 85 5.130 -8.456 10.494 1.00 0.00 C ATOM 1327 CE LYS A 85 6.590 -8.861 10.591 1.00 0.00 C ATOM 1328 NZ LYS A 85 6.905 -9.472 11.910 1.00 0.00 N ATOM 0 H LYS A 85 2.907 -6.077 9.404 1.00 0.00 H new ATOM 0 HA LYS A 85 4.756 -4.053 10.517 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.427 -5.811 9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.612 -6.103 11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.860 -7.230 9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.425 -7.570 8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.773 -8.144 11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.533 -9.318 10.197 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.825 -9.569 9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.221 -7.986 10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.911 -9.736 11.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.705 -8.787 12.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.320 -10.321 12.048 1.00 0.00 H new ATOM 1342 N SER A 86 6.014 -3.837 8.111 1.00 0.00 N ATOM 1343 CA SER A 86 6.351 -3.253 6.814 1.00 0.00 C ATOM 1344 C SER A 86 6.310 -4.289 5.691 1.00 0.00 C ATOM 1345 O SER A 86 6.508 -3.961 4.522 1.00 0.00 O ATOM 1346 CB SER A 86 7.718 -2.573 6.871 1.00 0.00 C ATOM 1347 OG SER A 86 7.574 -1.206 7.223 1.00 0.00 O ATOM 0 H SER A 86 6.796 -3.902 8.763 1.00 0.00 H new ATOM 0 HA SER A 86 5.594 -2.502 6.589 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.353 -3.078 7.599 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.214 -2.656 5.904 1.00 0.00 H new ATOM 0 HG SER A 86 7.072 -0.739 6.523 1.00 0.00 H new ATOM 1353 N SER A 87 6.043 -5.535 6.049 1.00 0.00 N ATOM 1354 CA SER A 87 5.946 -6.606 5.070 1.00 0.00 C ATOM 1355 C SER A 87 4.643 -6.481 4.278 1.00 0.00 C ATOM 1356 O SER A 87 4.435 -7.169 3.278 1.00 0.00 O ATOM 1357 CB SER A 87 5.999 -7.957 5.780 1.00 0.00 C ATOM 1358 OG SER A 87 6.870 -7.905 6.901 1.00 0.00 O ATOM 0 H SER A 87 5.889 -5.830 7.013 1.00 0.00 H new ATOM 0 HA SER A 87 6.784 -6.532 4.377 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.998 -8.242 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.339 -8.725 5.085 1.00 0.00 H new ATOM 0 HG SER A 87 6.756 -8.715 7.441 1.00 0.00 H new ATOM 1364 N TRP A 88 3.773 -5.589 4.741 1.00 0.00 N ATOM 1365 CA TRP A 88 2.488 -5.351 4.101 1.00 0.00 C ATOM 1366 C TRP A 88 2.494 -4.018 3.367 1.00 0.00 C ATOM 1367 O TRP A 88 1.571 -3.719 2.614 1.00 0.00 O ATOM 1368 CB TRP A 88 1.366 -5.356 5.145 1.00 0.00 C ATOM 1369 CG TRP A 88 0.988 -6.724 5.635 1.00 0.00 C ATOM 1370 CD1 TRP A 88 1.783 -7.608 6.305 1.00 0.00 C ATOM 1371 CD2 TRP A 88 -0.291 -7.350 5.508 1.00 0.00 C ATOM 1372 NE1 TRP A 88 1.079 -8.752 6.588 1.00 0.00 N ATOM 1373 CE2 TRP A 88 -0.196 -8.618 6.112 1.00 0.00 C ATOM 1374 CE3 TRP A 88 -1.507 -6.966 4.940 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 -1.270 -9.501 6.162 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -2.573 -7.843 4.993 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -2.447 -9.097 5.601 1.00 0.00 C ATOM 0 H TRP A 88 3.940 -5.014 5.567 1.00 0.00 H new ATOM 0 HA TRP A 88 2.313 -6.150 3.381 1.00 0.00 H new ATOM 0 HB2 TRP A 88 1.675 -4.750 5.997 1.00 0.00 H new ATOM 0 HB3 TRP A 88 0.484 -4.879 4.717 1.00 0.00 H new ATOM 0 HD1 TRP A 88 2.814 -7.433 6.573 1.00 0.00 H new ATOM 0 HE1 TRP A 88 1.447 -9.569 7.074 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.612 -6.001 4.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.176 -10.471 6.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -3.519 -7.556 4.558 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -3.299 -9.760 5.627 1.00 0.00 H new ATOM 1388 N ASP A 89 3.542 -3.224 3.599 1.00 0.00 N ATOM 1389 CA ASP A 89 3.677 -1.903 2.979 1.00 0.00 C ATOM 1390 C ASP A 89 3.572 -2.007 1.459 1.00 0.00 C ATOM 1391 O ASP A 89 4.327 -2.745 0.818 1.00 0.00 O ATOM 1392 CB ASP A 89 5.009 -1.246 3.379 1.00 0.00 C ATOM 1393 CG ASP A 89 5.108 -0.949 4.870 1.00 0.00 C ATOM 1394 OD1 ASP A 89 6.048 -0.232 5.285 1.00 0.00 O ATOM 1395 OD2 ASP A 89 4.260 -1.445 5.643 1.00 0.00 O ATOM 0 H ASP A 89 4.314 -3.475 4.216 1.00 0.00 H new ATOM 0 HA ASP A 89 2.862 -1.276 3.340 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.831 -1.901 3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.131 -0.317 2.821 1.00 0.00 H new ATOM 1400 N GLU A 90 2.633 -1.262 0.891 1.00 0.00 N ATOM 1401 CA GLU A 90 2.394 -1.286 -0.546 1.00 0.00 C ATOM 1402 C GLU A 90 2.127 0.098 -1.101 1.00 0.00 C ATOM 1403 O GLU A 90 2.047 1.084 -0.365 1.00 0.00 O ATOM 1404 CB GLU A 90 1.179 -2.159 -0.875 1.00 0.00 C ATOM 1405 CG GLU A 90 1.496 -3.628 -1.067 1.00 0.00 C ATOM 1406 CD GLU A 90 0.396 -4.377 -1.797 1.00 0.00 C ATOM 1407 OE1 GLU A 90 -0.521 -3.731 -2.362 1.00 0.00 O ATOM 1408 OE2 GLU A 90 0.450 -5.624 -1.823 1.00 0.00 O ATOM 0 H GLU A 90 2.021 -0.630 1.407 1.00 0.00 H new ATOM 0 HA GLU A 90 3.298 -1.690 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.448 -2.060 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.710 -1.780 -1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.427 -3.724 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.659 -4.090 -0.093 1.00 0.00 H new ATOM 1415 N TRP A 91 1.987 0.149 -2.414 1.00 0.00 N ATOM 1416 CA TRP A 91 1.684 1.375 -3.112 1.00 0.00 C ATOM 1417 C TRP A 91 0.207 1.379 -3.477 1.00 0.00 C ATOM 1418 O TRP A 91 -0.225 0.604 -4.332 1.00 0.00 O ATOM 1419 CB TRP A 91 2.507 1.494 -4.396 1.00 0.00 C ATOM 1420 CG TRP A 91 3.869 2.082 -4.218 1.00 0.00 C ATOM 1421 CD1 TRP A 91 5.053 1.412 -4.252 1.00 0.00 C ATOM 1422 CD2 TRP A 91 4.193 3.462 -4.014 1.00 0.00 C ATOM 1423 NE1 TRP A 91 6.097 2.282 -4.070 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.596 3.552 -3.929 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.438 4.630 -3.897 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 6.252 4.768 -3.737 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 4.096 5.831 -3.704 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.488 5.892 -3.630 1.00 0.00 C ATOM 0 H TRP A 91 2.082 -0.664 -3.023 1.00 0.00 H new ATOM 0 HA TRP A 91 1.927 2.215 -2.462 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.610 0.503 -4.837 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.954 2.105 -5.110 1.00 0.00 H new ATOM 0 HD1 TRP A 91 5.156 0.347 -4.401 1.00 0.00 H new ATOM 0 HE1 TRP A 91 7.084 2.027 -4.044 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.360 4.597 -3.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.329 4.817 -3.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.521 6.740 -3.609 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.969 6.848 -3.485 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.570 2.212 -2.817 1.00 0.00 N ATOM 1440 CA VAL A 92 -1.987 2.306 -3.121 1.00 0.00 C ATOM 1441 C VAL A 92 -2.233 3.561 -3.923 1.00 0.00 C ATOM 1442 O VAL A 92 -1.294 4.240 -4.319 1.00 0.00 O ATOM 1443 CB VAL A 92 -2.883 2.324 -1.862 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.900 0.956 -1.202 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.426 3.395 -0.886 1.00 0.00 C ATOM 0 H VAL A 92 -0.250 2.830 -2.072 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.254 1.413 -3.686 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.900 2.567 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.536 0.987 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.290 0.218 -1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.886 0.680 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.073 3.387 -0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.399 3.195 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.479 4.372 -1.367 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.482 3.870 -4.145 1.00 0.00 N ATOM 1456 CA GLY A 93 -3.827 5.048 -4.898 1.00 0.00 C ATOM 1457 C GLY A 93 -5.249 5.420 -4.629 1.00 0.00 C ATOM 1458 O GLY A 93 -5.920 4.712 -3.891 1.00 0.00 O ATOM 0 H GLY A 93 -4.278 3.324 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.168 5.872 -4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.684 4.865 -5.963 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.733 6.483 -5.245 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.112 6.934 -5.039 1.00 0.00 C ATOM 1464 C TYR A 94 -8.134 5.865 -5.427 1.00 0.00 C ATOM 1465 O TYR A 94 -9.328 5.989 -5.149 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.361 8.201 -5.842 1.00 0.00 C ATOM 1467 CG TYR A 94 -6.790 9.429 -5.192 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -5.975 10.297 -5.897 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -7.059 9.711 -3.861 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -5.447 11.416 -5.297 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -6.534 10.827 -3.253 1.00 0.00 C ATOM 1472 CZ TYR A 94 -5.726 11.679 -3.976 1.00 0.00 C ATOM 1473 OH TYR A 94 -5.203 12.808 -3.381 1.00 0.00 O ATOM 0 H TYR A 94 -5.196 7.057 -5.895 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.238 7.134 -3.975 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.926 8.087 -6.835 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.434 8.334 -5.977 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.750 10.093 -6.933 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.691 9.044 -3.293 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.815 12.086 -5.861 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.753 11.035 -2.216 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.494 12.850 -2.446 1.00 0.00 H new ATOM 1483 N ASP A 95 -7.644 4.806 -6.039 1.00 0.00 N ATOM 1484 CA ASP A 95 -8.488 3.701 -6.482 1.00 0.00 C ATOM 1485 C ASP A 95 -8.610 2.637 -5.391 1.00 0.00 C ATOM 1486 O ASP A 95 -9.607 1.921 -5.313 1.00 0.00 O ATOM 1487 CB ASP A 95 -7.920 3.078 -7.761 1.00 0.00 C ATOM 1488 CG ASP A 95 -8.814 1.991 -8.333 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -10.019 2.250 -8.537 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -8.315 0.875 -8.594 1.00 0.00 O ATOM 0 H ASP A 95 -6.653 4.682 -6.246 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.482 4.096 -6.690 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.780 3.858 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.936 2.659 -7.550 1.00 0.00 H new ATOM 1495 N ARG A 96 -7.599 2.563 -4.527 1.00 0.00 N ATOM 1496 CA ARG A 96 -7.582 1.584 -3.442 1.00 0.00 C ATOM 1497 C ARG A 96 -7.451 2.281 -2.101 1.00 0.00 C ATOM 1498 O ARG A 96 -7.300 1.633 -1.077 1.00 0.00 O ATOM 1499 CB ARG A 96 -6.413 0.599 -3.604 1.00 0.00 C ATOM 1500 CG ARG A 96 -6.744 -0.658 -4.390 1.00 0.00 C ATOM 1501 CD ARG A 96 -5.511 -1.541 -4.569 1.00 0.00 C ATOM 1502 NE ARG A 96 -4.903 -1.940 -3.293 1.00 0.00 N ATOM 1503 CZ ARG A 96 -3.628 -2.336 -3.163 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -2.841 -2.426 -4.227 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -3.139 -2.651 -1.967 1.00 0.00 N ATOM 0 H ARG A 96 -6.780 3.170 -4.558 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.522 1.034 -3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.589 1.113 -4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.060 0.309 -2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.523 -1.218 -3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.143 -0.384 -5.367 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.788 -2.434 -5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.772 -1.007 -5.167 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.485 -1.914 -2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.204 -2.193 -5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.872 -2.728 -4.121 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.734 -2.592 -1.141 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.168 -2.951 -1.876 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.503 3.602 -2.112 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.363 4.370 -0.892 1.00 0.00 C ATOM 1521 C ILE A 97 -8.627 5.169 -0.593 1.00 0.00 C ATOM 1522 O ILE A 97 -9.305 5.666 -1.498 1.00 0.00 O ATOM 1523 CB ILE A 97 -6.133 5.311 -0.963 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.492 5.437 0.404 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.516 6.685 -1.460 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.206 6.243 0.413 1.00 0.00 C ATOM 0 H ILE A 97 -7.641 4.163 -2.953 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.207 3.663 -0.077 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.425 4.873 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.204 5.901 1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.285 4.439 0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.630 7.319 -1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.946 6.604 -2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.249 7.125 -0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.811 6.286 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.475 5.769 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.408 7.254 0.059 1.00 0.00 H new ATOM 1538 N ARG A 98 -8.945 5.253 0.683 1.00 0.00 N ATOM 1539 CA ARG A 98 -10.108 5.979 1.168 1.00 0.00 C ATOM 1540 C ARG A 98 -9.670 6.869 2.325 1.00 0.00 C ATOM 1541 O ARG A 98 -8.504 6.850 2.712 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.209 5.014 1.638 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.567 3.922 0.632 1.00 0.00 C ATOM 1544 CD ARG A 98 -12.057 4.510 -0.683 1.00 0.00 C ATOM 1545 NE ARG A 98 -12.376 3.478 -1.674 1.00 0.00 N ATOM 1546 CZ ARG A 98 -11.920 3.485 -2.928 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -11.059 4.415 -3.324 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -12.305 2.541 -3.776 1.00 0.00 N ATOM 0 H ARG A 98 -8.398 4.814 1.424 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.519 6.581 0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.889 4.543 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.106 5.590 1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.694 3.296 0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.339 3.278 1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.943 5.118 -0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.293 5.174 -1.088 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.982 2.709 -1.388 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.743 5.129 -2.668 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.714 4.415 -4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.948 1.811 -3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.958 2.544 -4.735 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.597 7.601 2.914 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.278 8.477 4.007 1.00 0.00 C ATOM 1564 C ALA A 99 -10.649 7.785 5.271 1.00 0.00 C ATOM 1565 O ALA A 99 -11.736 7.233 5.385 1.00 0.00 O ATOM 1566 CB ALA A 99 -11.039 9.793 3.924 1.00 0.00 C ATOM 0 H ALA A 99 -11.581 7.600 2.646 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.213 8.708 3.970 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.767 10.424 4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.785 10.302 2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.111 9.596 3.948 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.758 7.781 6.204 1.00 0.00 N ATOM 1573 CA TYR A 100 -10.034 7.160 7.458 1.00 0.00 C ATOM 1574 C TYR A 100 -10.970 8.069 8.245 1.00 0.00 C ATOM 1575 O TYR A 100 -10.543 9.032 8.882 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.715 6.938 8.160 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.806 6.344 9.545 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.659 7.120 10.692 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -9.019 4.984 9.700 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.724 6.546 11.950 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -9.092 4.408 10.948 1.00 0.00 C ATOM 1582 CZ TYR A 100 -8.942 5.188 12.070 1.00 0.00 C ATOM 1583 OH TYR A 100 -8.996 4.604 13.317 1.00 0.00 O ATOM 0 H TYR A 100 -8.832 8.200 6.124 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.528 6.195 7.347 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -8.101 6.283 7.542 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.194 7.893 8.227 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.492 8.183 10.599 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -9.130 4.363 8.824 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.605 7.157 12.833 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -9.267 3.347 11.045 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.311 3.906 13.381 1.00 0.00 H new ATOM 1593 N ASN A 101 -12.259 7.776 8.143 1.00 0.00 N ATOM 1594 CA ASN A 101 -13.285 8.543 8.823 1.00 0.00 C ATOM 1595 C ASN A 101 -14.488 7.656 9.095 1.00 0.00 C ATOM 1596 O ASN A 101 -14.678 6.627 8.442 1.00 0.00 O ATOM 1597 CB ASN A 101 -13.690 9.782 8.010 1.00 0.00 C ATOM 1598 CG ASN A 101 -14.740 9.502 6.954 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -15.939 9.596 7.212 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -14.295 9.162 5.759 1.00 0.00 N ATOM 0 H ASN A 101 -12.619 7.001 7.587 1.00 0.00 H new ATOM 0 HA ASN A 101 -12.882 8.898 9.772 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -14.067 10.545 8.691 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -12.804 10.195 7.528 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -14.954 8.965 5.006 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.292 9.096 5.588 1.00 0.00 H new ATOM 1607 N GLU A 102 -15.299 8.102 10.033 1.00 0.00 N ATOM 1608 CA GLU A 102 -16.485 7.379 10.508 1.00 0.00 C ATOM 1609 C GLU A 102 -17.362 6.777 9.400 1.00 0.00 C ATOM 1610 O GLU A 102 -17.881 5.674 9.564 1.00 0.00 O ATOM 1611 CB GLU A 102 -17.347 8.312 11.366 1.00 0.00 C ATOM 1612 CG GLU A 102 -16.562 9.130 12.378 1.00 0.00 C ATOM 1613 CD GLU A 102 -16.527 8.496 13.752 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -15.666 7.621 13.992 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -17.349 8.885 14.606 1.00 0.00 O ATOM 0 H GLU A 102 -15.158 8.996 10.503 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.099 6.538 11.084 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.891 8.992 10.710 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.091 7.717 11.895 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.541 9.260 12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -17.003 10.124 12.454 1.00 0.00 H new ATOM 1622 N GLU A 103 -17.512 7.474 8.279 1.00 0.00 N ATOM 1623 CA GLU A 103 -18.389 7.003 7.204 1.00 0.00 C ATOM 1624 C GLU A 103 -17.963 5.671 6.572 1.00 0.00 C ATOM 1625 O GLU A 103 -18.722 4.702 6.621 1.00 0.00 O ATOM 1626 CB GLU A 103 -18.542 8.060 6.118 1.00 0.00 C ATOM 1627 CG GLU A 103 -19.736 7.795 5.215 1.00 0.00 C ATOM 1628 CD GLU A 103 -20.525 9.048 4.890 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -20.160 9.754 3.928 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -21.518 9.332 5.598 1.00 0.00 O ATOM 0 H GLU A 103 -17.044 8.360 8.088 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.349 6.821 7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.651 9.040 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.634 8.092 5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.389 7.341 4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.395 7.072 5.697 1.00 0.00 H new ATOM 1637 N ASN A 104 -16.774 5.597 5.978 1.00 0.00 N ATOM 1638 CA ASN A 104 -16.359 4.352 5.322 1.00 0.00 C ATOM 1639 C ASN A 104 -15.786 3.371 6.328 1.00 0.00 C ATOM 1640 O ASN A 104 -15.681 2.174 6.054 1.00 0.00 O ATOM 1641 CB ASN A 104 -15.375 4.599 4.173 1.00 0.00 C ATOM 1642 CG ASN A 104 -14.227 5.495 4.557 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -14.350 6.715 4.533 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -13.098 4.900 4.893 1.00 0.00 N ATOM 0 H ASN A 104 -16.096 6.358 5.935 1.00 0.00 H new ATOM 0 HA ASN A 104 -17.254 3.911 4.884 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -14.981 3.643 3.828 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -15.910 5.044 3.334 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -12.283 5.458 5.146 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -13.040 3.882 4.899 1.00 0.00 H new ATOM 1651 N ILE A 105 -15.418 3.876 7.496 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.906 3.026 8.555 1.00 0.00 C ATOM 1653 C ILE A 105 -16.037 2.157 9.037 1.00 0.00 C ATOM 1654 O ILE A 105 -15.850 0.987 9.360 1.00 0.00 O ATOM 1655 CB ILE A 105 -14.384 3.850 9.724 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -13.002 4.399 9.405 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -14.356 3.045 11.019 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -12.437 5.231 10.519 1.00 0.00 C ATOM 0 H ILE A 105 -15.465 4.867 7.732 1.00 0.00 H new ATOM 0 HA ILE A 105 -14.080 2.430 8.166 1.00 0.00 H new ATOM 0 HB ILE A 105 -15.071 4.683 9.875 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.325 3.570 9.197 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -13.056 5.002 8.498 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -13.977 3.670 11.828 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -15.365 2.710 11.261 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -13.706 2.179 10.895 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.450 5.596 10.236 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -13.096 6.078 10.711 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -12.354 4.624 11.421 1.00 0.00 H new ATOM 1670 N ALA A 106 -17.223 2.762 9.069 1.00 0.00 N ATOM 1671 CA ALA A 106 -18.430 2.074 9.478 1.00 0.00 C ATOM 1672 C ALA A 106 -18.592 0.811 8.656 1.00 0.00 C ATOM 1673 O ALA A 106 -19.108 -0.202 9.137 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.628 2.985 9.310 1.00 0.00 C ATOM 0 H ALA A 106 -17.366 3.739 8.812 1.00 0.00 H new ATOM 0 HA ALA A 106 -18.357 1.800 10.531 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -20.531 2.459 9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -19.497 3.875 9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.719 3.277 8.264 1.00 0.00 H new ATOM 1680 N MET A 107 -18.135 0.875 7.410 1.00 0.00 N ATOM 1681 CA MET A 107 -18.195 -0.285 6.549 1.00 0.00 C ATOM 1682 C MET A 107 -17.132 -1.255 7.005 1.00 0.00 C ATOM 1683 O MET A 107 -17.440 -2.390 7.276 1.00 0.00 O ATOM 1684 CB MET A 107 -17.971 0.048 5.071 1.00 0.00 C ATOM 1685 CG MET A 107 -18.718 -0.868 4.116 1.00 0.00 C ATOM 1686 SD MET A 107 -18.311 -0.528 2.390 1.00 0.00 S ATOM 1687 CE MET A 107 -19.056 -1.940 1.577 1.00 0.00 C ATOM 0 H MET A 107 -17.726 1.707 6.985 1.00 0.00 H new ATOM 0 HA MET A 107 -19.197 -0.708 6.625 1.00 0.00 H new ATOM 0 HB2 MET A 107 -18.280 1.077 4.889 1.00 0.00 H new ATOM 0 HB3 MET A 107 -16.904 -0.007 4.853 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.477 -1.906 4.347 1.00 0.00 H new ATOM 0 HG3 MET A 107 -19.791 -0.749 4.265 1.00 0.00 H new ATOM 0 HE1 MET A 107 -18.888 -1.872 0.502 1.00 0.00 H new ATOM 0 HE2 MET A 107 -18.607 -2.858 1.957 1.00 0.00 H new ATOM 0 HE3 MET A 107 -20.128 -1.951 1.777 1.00 0.00 H new ATOM 1697 N LYS A 108 -15.891 -0.768 7.145 1.00 0.00 N ATOM 1698 CA LYS A 108 -14.749 -1.587 7.570 1.00 0.00 C ATOM 1699 C LYS A 108 -15.077 -2.377 8.835 1.00 0.00 C ATOM 1700 O LYS A 108 -14.707 -3.540 8.974 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.530 -0.681 7.812 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.301 -1.407 8.340 1.00 0.00 C ATOM 1703 CD LYS A 108 -11.991 -1.015 9.778 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.558 -0.521 9.932 1.00 0.00 C ATOM 1705 NZ LYS A 108 -10.116 -0.513 11.354 1.00 0.00 N ATOM 0 H LYS A 108 -15.651 0.207 6.966 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.522 -2.302 6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.270 -0.185 6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.808 0.100 8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.462 -2.484 8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.443 -1.178 7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -12.681 -0.235 10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -12.152 -1.872 10.432 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.892 -1.157 9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.476 0.486 9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.223 0.014 11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.843 -0.057 11.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.973 -1.491 11.678 1.00 0.00 H new ATOM 1719 N LYS A 109 -15.783 -1.730 9.740 1.00 0.00 N ATOM 1720 CA LYS A 109 -16.190 -2.353 10.999 1.00 0.00 C ATOM 1721 C LYS A 109 -17.091 -3.537 10.731 1.00 0.00 C ATOM 1722 O LYS A 109 -16.819 -4.655 11.177 1.00 0.00 O ATOM 1723 CB LYS A 109 -16.920 -1.348 11.886 1.00 0.00 C ATOM 1724 CG LYS A 109 -16.114 -0.094 12.164 1.00 0.00 C ATOM 1725 CD LYS A 109 -14.889 -0.396 13.002 1.00 0.00 C ATOM 1726 CE LYS A 109 -15.153 -0.137 14.473 1.00 0.00 C ATOM 1727 NZ LYS A 109 -13.938 -0.340 15.300 1.00 0.00 N ATOM 0 H LYS A 109 -16.093 -0.764 9.632 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.292 -2.693 11.515 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -17.860 -1.069 11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -17.173 -1.826 12.832 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.808 0.360 11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -16.739 0.634 12.681 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.596 -1.436 12.860 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.054 0.219 12.666 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.513 0.884 14.602 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.944 -0.801 14.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.162 -0.153 16.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.608 -1.321 15.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.191 0.311 14.985 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.165 -3.290 9.999 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.094 -4.346 9.651 1.00 0.00 C ATOM 1743 C ARG A 110 -18.406 -5.324 8.720 1.00 0.00 C ATOM 1744 O ARG A 110 -18.644 -6.512 8.758 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.339 -3.770 8.971 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.448 -4.788 8.773 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.668 -4.173 8.118 1.00 0.00 C ATOM 1748 NE ARG A 110 -23.697 -5.183 7.858 1.00 0.00 N ATOM 1749 CZ ARG A 110 -24.910 -5.177 8.407 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -25.268 -4.207 9.238 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -25.773 -6.147 8.116 1.00 0.00 N ATOM 0 H ARG A 110 -18.412 -2.369 9.636 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.408 -4.857 10.561 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.719 -2.942 9.569 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -20.056 -3.359 8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -21.081 -5.610 8.158 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.728 -5.212 9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -23.075 -3.393 8.762 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.379 -3.695 7.182 1.00 0.00 H new ATOM 0 HE ARG A 110 -23.469 -5.941 7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -24.612 -3.458 9.461 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -26.199 -4.210 9.654 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -25.505 -6.893 7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -26.703 -6.145 8.535 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.520 -4.791 7.916 1.00 0.00 N ATOM 1766 CA LEU A 111 -16.771 -5.545 6.941 1.00 0.00 C ATOM 1767 C LEU A 111 -15.864 -6.569 7.562 1.00 0.00 C ATOM 1768 O LEU A 111 -15.796 -7.693 7.090 1.00 0.00 O ATOM 1769 CB LEU A 111 -15.954 -4.586 6.098 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.668 -4.111 4.856 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -15.991 -2.882 4.274 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -16.762 -5.189 3.805 1.00 0.00 C ATOM 0 H LEU A 111 -17.294 -3.796 7.921 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.488 -6.090 6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.685 -3.721 6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.023 -5.074 5.807 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.682 -3.850 5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.526 -2.561 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -16.000 -2.079 5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.961 -3.123 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -17.284 -4.800 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.759 -5.506 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.311 -6.041 4.206 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.172 -6.208 8.621 1.00 0.00 N ATOM 1785 CA ALA A 112 -14.268 -7.151 9.230 1.00 0.00 C ATOM 1786 C ALA A 112 -15.035 -8.232 9.957 1.00 0.00 C ATOM 1787 O ALA A 112 -14.477 -9.271 10.302 1.00 0.00 O ATOM 1788 CB ALA A 112 -13.277 -6.448 10.137 1.00 0.00 C ATOM 0 H ALA A 112 -15.217 -5.292 9.067 1.00 0.00 H new ATOM 0 HA ALA A 112 -13.691 -7.635 8.442 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.607 -7.183 10.583 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.695 -5.733 9.555 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -13.815 -5.922 10.925 1.00 0.00 H new ATOM 1794 N ASN A 113 -16.313 -7.987 10.195 1.00 0.00 N ATOM 1795 CA ASN A 113 -17.145 -8.978 10.836 1.00 0.00 C ATOM 1796 C ASN A 113 -17.948 -9.735 9.780 1.00 0.00 C ATOM 1797 O ASN A 113 -18.131 -10.935 9.891 1.00 0.00 O ATOM 1798 CB ASN A 113 -18.041 -8.346 11.915 1.00 0.00 C ATOM 1799 CG ASN A 113 -19.502 -8.184 11.514 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -19.935 -6.944 11.369 1.00 0.00 O flip ATOM 1801 ND2 ASN A 113 -20.243 -9.156 11.383 1.00 0.00 N flip ATOM 0 H ASN A 113 -16.789 -7.117 9.955 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.510 -9.696 11.354 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -17.991 -8.959 12.815 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -17.639 -7.367 12.174 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -19.873 -10.099 11.502 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -21.228 -9.020 11.155 1.00 0.00 H new ATOM 1808 N GLU A 114 -18.356 -9.044 8.718 1.00 0.00 N ATOM 1809 CA GLU A 114 -19.140 -9.666 7.657 1.00 0.00 C ATOM 1810 C GLU A 114 -18.238 -10.445 6.715 1.00 0.00 C ATOM 1811 O GLU A 114 -18.614 -11.523 6.248 1.00 0.00 O ATOM 1812 CB GLU A 114 -19.966 -8.629 6.895 1.00 0.00 C ATOM 1813 CG GLU A 114 -21.129 -8.085 7.709 1.00 0.00 C ATOM 1814 CD GLU A 114 -22.481 -8.522 7.188 1.00 0.00 C ATOM 1815 OE1 GLU A 114 -23.245 -7.645 6.728 1.00 0.00 O ATOM 1816 OE2 GLU A 114 -22.796 -9.732 7.250 1.00 0.00 O ATOM 0 H GLU A 114 -18.156 -8.055 8.571 1.00 0.00 H new ATOM 0 HA GLU A 114 -19.838 -10.365 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -19.319 -7.803 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -20.349 -9.079 5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -21.023 -8.411 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -21.083 -6.996 7.712 1.00 0.00 H new ATOM 1823 N ALA A 115 -17.036 -9.925 6.431 1.00 0.00 N ATOM 1824 CA ALA A 115 -16.110 -10.671 5.579 1.00 0.00 C ATOM 1825 C ALA A 115 -15.614 -11.884 6.354 1.00 0.00 C ATOM 1826 O ALA A 115 -15.058 -12.831 5.797 1.00 0.00 O ATOM 1827 CB ALA A 115 -14.945 -9.806 5.119 1.00 0.00 C ATOM 0 H ALA A 115 -16.694 -9.024 6.766 1.00 0.00 H new ATOM 0 HA ALA A 115 -16.633 -10.992 4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -14.280 -10.396 4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -15.325 -8.957 4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -14.395 -9.444 5.988 1.00 0.00 H new ATOM 1833 N LYS A 116 -15.860 -11.829 7.657 1.00 0.00 N ATOM 1834 CA LYS A 116 -15.497 -12.882 8.581 1.00 0.00 C ATOM 1835 C LYS A 116 -16.660 -13.868 8.721 1.00 0.00 C ATOM 1836 O LYS A 116 -16.462 -15.045 9.024 1.00 0.00 O ATOM 1837 CB LYS A 116 -15.129 -12.245 9.928 1.00 0.00 C ATOM 1838 CG LYS A 116 -15.858 -12.816 11.144 1.00 0.00 C ATOM 1839 CD LYS A 116 -15.136 -12.472 12.438 1.00 0.00 C ATOM 1840 CE LYS A 116 -13.802 -13.196 12.550 1.00 0.00 C ATOM 1841 NZ LYS A 116 -13.930 -14.505 13.240 1.00 0.00 N ATOM 0 H LYS A 116 -16.324 -11.038 8.102 1.00 0.00 H new ATOM 0 HA LYS A 116 -14.636 -13.439 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -14.056 -12.358 10.083 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -15.332 -11.176 9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -16.874 -12.424 11.178 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -15.937 -13.899 11.047 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -14.971 -11.396 12.487 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -15.766 -12.737 13.287 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -13.390 -13.352 11.553 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -13.095 -12.569 13.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -12.997 -14.962 13.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -14.298 -14.356 14.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -14.584 -15.115 12.709 1.00 0.00 H new ATOM 1855 N GLU A 117 -17.874 -13.368 8.494 1.00 0.00 N ATOM 1856 CA GLU A 117 -19.080 -14.186 8.560 1.00 0.00 C ATOM 1857 C GLU A 117 -19.154 -15.099 7.347 1.00 0.00 C ATOM 1858 O GLU A 117 -19.538 -16.266 7.460 1.00 0.00 O ATOM 1859 CB GLU A 117 -20.332 -13.302 8.589 1.00 0.00 C ATOM 1860 CG GLU A 117 -20.516 -12.519 9.874 1.00 0.00 C ATOM 1861 CD GLU A 117 -21.395 -13.242 10.870 1.00 0.00 C ATOM 1862 OE1 GLU A 117 -20.905 -13.598 11.965 1.00 0.00 O ATOM 1863 OE2 GLU A 117 -22.586 -13.457 10.564 1.00 0.00 O ATOM 0 H GLU A 117 -18.047 -12.390 8.261 1.00 0.00 H new ATOM 0 HA GLU A 117 -19.037 -14.780 9.473 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -20.287 -12.602 7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -21.209 -13.930 8.432 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -19.541 -12.330 10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -20.955 -11.548 9.645 1.00 0.00 H new ATOM 1870 N ALA A 118 -18.782 -14.534 6.195 1.00 0.00 N ATOM 1871 CA ALA A 118 -18.780 -15.239 4.914 1.00 0.00 C ATOM 1872 C ALA A 118 -20.199 -15.471 4.402 1.00 0.00 C ATOM 1873 O ALA A 118 -20.947 -16.284 4.946 1.00 0.00 O ATOM 1874 CB ALA A 118 -18.007 -16.550 5.004 1.00 0.00 C ATOM 0 H ALA A 118 -18.471 -13.565 6.127 1.00 0.00 H new ATOM 0 HA ALA A 118 -18.270 -14.601 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -18.024 -17.050 4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -16.975 -16.345 5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -18.468 -17.194 5.753 1.00 0.00 H new ATOM 1880 N LYS A 119 -20.566 -14.739 3.358 1.00 0.00 N ATOM 1881 CA LYS A 119 -21.888 -14.862 2.761 1.00 0.00 C ATOM 1882 C LYS A 119 -21.782 -15.481 1.373 1.00 0.00 C ATOM 1883 O LYS A 119 -21.028 -14.997 0.528 1.00 0.00 O ATOM 1884 CB LYS A 119 -22.563 -13.491 2.667 1.00 0.00 C ATOM 1885 CG LYS A 119 -23.998 -13.552 2.163 1.00 0.00 C ATOM 1886 CD LYS A 119 -24.419 -12.241 1.519 1.00 0.00 C ATOM 1887 CE LYS A 119 -23.909 -12.132 0.092 1.00 0.00 C ATOM 1888 NZ LYS A 119 -24.626 -13.055 -0.827 1.00 0.00 N ATOM 0 H LYS A 119 -19.963 -14.051 2.906 1.00 0.00 H new ATOM 0 HA LYS A 119 -22.494 -15.509 3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -22.552 -13.022 3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -21.980 -12.853 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -24.097 -14.362 1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -24.667 -13.782 2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -25.506 -12.164 1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -24.038 -11.406 2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -24.028 -11.107 -0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -22.842 -12.355 0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -24.623 -12.659 -1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -24.150 -13.979 -0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -25.608 -13.173 -0.504 1.00 0.00 H new ATOM 1902 N LYS A 120 -22.522 -16.557 1.152 1.00 0.00 N ATOM 1903 CA LYS A 120 -22.515 -17.235 -0.137 1.00 0.00 C ATOM 1904 C LYS A 120 -23.427 -16.515 -1.122 1.00 0.00 C ATOM 1905 O LYS A 120 -23.376 -16.834 -2.328 1.00 0.00 O ATOM 1906 CB LYS A 120 -22.968 -18.684 0.021 1.00 0.00 C ATOM 1907 CG LYS A 120 -22.036 -19.517 0.886 1.00 0.00 C ATOM 1908 CD LYS A 120 -22.572 -20.925 1.096 1.00 0.00 C ATOM 1909 CE LYS A 120 -22.489 -21.763 -0.173 1.00 0.00 C ATOM 1910 NZ LYS A 120 -23.014 -23.142 0.037 1.00 0.00 N ATOM 1911 OXT LYS A 120 -24.192 -15.629 -0.683 1.00 0.00 O ATOM 0 H LYS A 120 -23.135 -16.980 1.848 1.00 0.00 H new ATOM 0 HA LYS A 120 -21.496 -17.222 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -23.967 -18.699 0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -23.044 -19.143 -0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -21.053 -19.568 0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -21.904 -19.030 1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -22.007 -21.413 1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -23.609 -20.872 1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -23.055 -21.276 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -21.453 -21.816 -0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -22.940 -23.680 -0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -22.458 -23.616 0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -24.011 -23.093 0.330 1.00 0.00 H new TER 1925 LYS A 120