USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 695 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 53 MET CE :methyl 154:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 ASN : amide:sc= -2.81 K(o=-2.8,f=-5.7!) USER MOD Set 2.1: A 60 HIS :FLIP no HD1:sc= -0.967 F(o=-2.1,f=-0.042) USER MOD Set 2.2: A 61 THR OG1 : rot 44:sc= 0.925 USER MOD Set 3.1: A 26 THR OG1 : rot 171:sc= 0.0277 USER MOD Set 3.2: A 42 CYS SG : rot 180:sc= 0.0209 USER MOD Set 4.1: A 15 SER OG : rot 122:sc= -0.305 USER MOD Set 4.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 9 ASN : amide:sc= 0.295 K(o=0.75,f=-3!) USER MOD Set 5.2: A 93 TYR OH : rot 180:sc= 0.46 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= -0.515 (180deg=-2.29!) USER MOD Single : A 2 SER OG : rot -166:sc= 0.647 USER MOD Single : A 5 ASN : amide:sc= -6.39! C(o=-6.4!,f=-12!) USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= -0.0462 (180deg=-0.401) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -0.0293 (180deg=-0.341) USER MOD Single : A 20 CYS SG : rot -33:sc= -0.485 USER MOD Single : A 23 CYS SG : rot 19:sc= 0.891 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -4.49! C(o=-8!,f=-4.5!) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0.00838 USER MOD Single : A 51 MET CE :methyl -118:sc= -1.2 (180deg=-2.66!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 MET CE :methyl -154:sc= -0.206 (180deg=-0.935) USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= -0.688 (180deg=-0.715) USER MOD Single : A 64 HIS : no HD1:sc= -0.0907 X(o=-0.091,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HE2:sc= -0.856 K(o=-0.86,f=-2.4!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.917 X(o=-0.92,f=-0.6!) USER MOD Single : A 84 LYS NZ :NH3+ 141:sc= -5.74! (180deg=-10.9!) USER MOD Single : A 85 ASN : amide:sc= -8.29! C(o=-8.3!,f=-8.5!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 141:sc= -1.35 (180deg=-2.78!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.083 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.360 15.630 -4.644 1.00 0.00 N ATOM 2 CA MET A 1 7.732 14.484 -5.279 1.00 0.00 C ATOM 3 C MET A 1 7.047 13.590 -4.244 1.00 0.00 C ATOM 4 O MET A 1 7.692 12.744 -3.626 1.00 0.00 O ATOM 5 CB MET A 1 8.789 13.675 -6.034 1.00 0.00 C ATOM 6 CG MET A 1 9.782 14.598 -6.744 1.00 0.00 C ATOM 7 SD MET A 1 11.399 14.436 -6.007 1.00 0.00 S ATOM 8 CE MET A 1 12.161 13.321 -7.174 1.00 0.00 C ATOM 0 H1 MET A 1 8.316 16.449 -5.284 1.00 0.00 H new ATOM 0 H2 MET A 1 7.860 15.854 -3.760 1.00 0.00 H new ATOM 0 H3 MET A 1 9.354 15.408 -4.433 1.00 0.00 H new ATOM 0 HA MET A 1 6.975 14.848 -5.974 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.322 13.028 -5.338 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.304 13.027 -6.764 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.830 14.348 -7.804 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.444 15.632 -6.675 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.184 13.112 -6.863 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.595 12.390 -7.210 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.169 13.779 -8.163 1.00 0.00 H new ATOM 16 N SER A 2 5.750 13.807 -4.087 1.00 0.00 N ATOM 17 CA SER A 2 4.970 13.031 -3.137 1.00 0.00 C ATOM 18 C SER A 2 3.933 12.186 -3.878 1.00 0.00 C ATOM 19 O SER A 2 2.999 12.723 -4.472 1.00 0.00 O ATOM 20 CB SER A 2 4.284 13.939 -2.116 1.00 0.00 C ATOM 21 OG SER A 2 5.203 14.453 -1.155 1.00 0.00 O ATOM 0 H SER A 2 5.219 14.509 -4.602 1.00 0.00 H new ATOM 0 HA SER A 2 5.648 12.370 -2.597 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.801 14.767 -2.634 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.499 13.382 -1.605 1.00 0.00 H new ATOM 0 HG SER A 2 4.708 14.836 -0.401 1.00 0.00 H new ATOM 26 N GLU A 3 4.131 10.877 -3.819 1.00 0.00 N ATOM 27 CA GLU A 3 3.223 9.953 -4.477 1.00 0.00 C ATOM 28 C GLU A 3 3.045 8.690 -3.631 1.00 0.00 C ATOM 29 O GLU A 3 3.989 7.921 -3.452 1.00 0.00 O ATOM 30 CB GLU A 3 3.719 9.606 -5.883 1.00 0.00 C ATOM 31 CG GLU A 3 3.072 8.314 -6.389 1.00 0.00 C ATOM 32 CD GLU A 3 4.030 7.130 -6.246 1.00 0.00 C ATOM 33 OE1 GLU A 3 5.090 7.262 -5.617 1.00 0.00 O ATOM 34 OE2 GLU A 3 3.641 6.041 -6.818 1.00 0.00 O ATOM 0 H GLU A 3 4.907 10.435 -3.326 1.00 0.00 H new ATOM 0 HA GLU A 3 2.252 10.438 -4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.489 10.424 -6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.803 9.494 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.158 8.117 -5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.786 8.431 -7.434 1.00 0.00 H new ATOM 40 N VAL A 4 1.831 8.516 -3.134 1.00 0.00 N ATOM 41 CA VAL A 4 1.517 7.360 -2.311 1.00 0.00 C ATOM 42 C VAL A 4 0.213 6.728 -2.802 1.00 0.00 C ATOM 43 O VAL A 4 -0.861 7.308 -2.644 1.00 0.00 O ATOM 44 CB VAL A 4 1.466 7.766 -0.836 1.00 0.00 C ATOM 45 CG1 VAL A 4 0.146 7.334 -0.194 1.00 0.00 C ATOM 46 CG2 VAL A 4 2.661 7.196 -0.070 1.00 0.00 C ATOM 0 H VAL A 4 1.051 9.156 -3.285 1.00 0.00 H new ATOM 0 HA VAL A 4 2.298 6.605 -2.400 1.00 0.00 H new ATOM 0 HB VAL A 4 1.523 8.853 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.136 7.634 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.685 7.809 -0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.046 6.251 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.601 7.499 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.649 6.108 -0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.586 7.574 -0.505 1.00 0.00 H new ATOM 56 N ASN A 5 0.350 5.547 -3.388 1.00 0.00 N ATOM 57 CA ASN A 5 -0.805 4.831 -3.903 1.00 0.00 C ATOM 58 C ASN A 5 -0.656 3.340 -3.586 1.00 0.00 C ATOM 59 O ASN A 5 0.324 2.713 -3.981 1.00 0.00 O ATOM 60 CB ASN A 5 -0.915 4.983 -5.421 1.00 0.00 C ATOM 61 CG ASN A 5 -0.196 6.246 -5.899 1.00 0.00 C ATOM 62 OD1 ASN A 5 -0.289 7.307 -5.304 1.00 0.00 O ATOM 63 ND2 ASN A 5 0.524 6.073 -7.004 1.00 0.00 N ATOM 0 H ASN A 5 1.242 5.069 -3.517 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.697 5.246 -3.434 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -0.485 4.109 -5.910 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.965 5.026 -5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.042 6.856 -7.403 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.559 5.157 -7.452 1.00 0.00 H new ATOM 69 N ILE A 6 -1.646 2.818 -2.877 1.00 0.00 N ATOM 70 CA ILE A 6 -1.638 1.414 -2.503 1.00 0.00 C ATOM 71 C ILE A 6 -2.974 0.779 -2.894 1.00 0.00 C ATOM 72 O ILE A 6 -4.028 1.395 -2.736 1.00 0.00 O ATOM 73 CB ILE A 6 -1.293 1.256 -1.021 1.00 0.00 C ATOM 74 CG1 ILE A 6 0.202 0.995 -0.831 1.00 0.00 C ATOM 75 CG2 ILE A 6 -2.151 0.169 -0.371 1.00 0.00 C ATOM 76 CD1 ILE A 6 1.010 2.284 -1.006 1.00 0.00 C ATOM 0 H ILE A 6 -2.459 3.342 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.859 0.880 -3.047 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.523 2.194 -0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.380 0.582 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.539 0.249 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.886 0.077 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.204 0.436 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.976 -0.782 -0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.070 2.071 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.849 2.681 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.687 3.019 -0.269 1.00 0.00 H new ATOM 87 N VAL A 7 -2.888 -0.443 -3.397 1.00 0.00 N ATOM 88 CA VAL A 7 -4.076 -1.168 -3.812 1.00 0.00 C ATOM 89 C VAL A 7 -3.947 -2.634 -3.394 1.00 0.00 C ATOM 90 O VAL A 7 -2.995 -3.311 -3.779 1.00 0.00 O ATOM 91 CB VAL A 7 -4.299 -0.993 -5.315 1.00 0.00 C ATOM 92 CG1 VAL A 7 -3.117 -1.549 -6.113 1.00 0.00 C ATOM 93 CG2 VAL A 7 -5.612 -1.643 -5.755 1.00 0.00 C ATOM 0 H VAL A 7 -2.013 -0.950 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.960 -0.765 -3.317 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.370 0.075 -5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.301 -1.412 -7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.207 -1.020 -5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.001 -2.611 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.745 -1.504 -6.828 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.584 -2.709 -5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.443 -1.180 -5.223 1.00 0.00 H new ATOM 103 N VAL A 8 -4.918 -3.081 -2.611 1.00 0.00 N ATOM 104 CA VAL A 8 -4.924 -4.455 -2.137 1.00 0.00 C ATOM 105 C VAL A 8 -6.216 -5.140 -2.587 1.00 0.00 C ATOM 106 O VAL A 8 -7.309 -4.619 -2.365 1.00 0.00 O ATOM 107 CB VAL A 8 -4.728 -4.486 -0.621 1.00 0.00 C ATOM 108 CG1 VAL A 8 -4.449 -5.909 -0.133 1.00 0.00 C ATOM 109 CG2 VAL A 8 -3.611 -3.531 -0.193 1.00 0.00 C ATOM 0 H VAL A 8 -5.706 -2.516 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.093 -5.012 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.654 -4.148 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.313 -5.903 0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.290 -6.553 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.544 -6.286 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.492 -3.572 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.677 -3.825 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.867 -2.514 -0.491 1.00 0.00 H new ATOM 119 N ASN A 9 -6.051 -6.297 -3.209 1.00 0.00 N ATOM 120 CA ASN A 9 -7.190 -7.058 -3.692 1.00 0.00 C ATOM 121 C ASN A 9 -7.235 -8.410 -2.976 1.00 0.00 C ATOM 122 O ASN A 9 -6.384 -9.267 -3.206 1.00 0.00 O ATOM 123 CB ASN A 9 -7.079 -7.322 -5.195 1.00 0.00 C ATOM 124 CG ASN A 9 -8.188 -8.265 -5.668 1.00 0.00 C ATOM 125 OD1 ASN A 9 -8.048 -9.477 -5.671 1.00 0.00 O ATOM 126 ND2 ASN A 9 -9.293 -7.642 -6.069 1.00 0.00 N ATOM 0 H ASN A 9 -5.144 -6.727 -3.390 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.092 -6.478 -3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.141 -6.380 -5.739 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.105 -7.757 -5.421 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.090 -8.183 -6.405 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.343 -6.624 -6.040 1.00 0.00 H new ATOM 132 N GLY A 10 -8.237 -8.558 -2.123 1.00 0.00 N ATOM 133 CA GLY A 10 -8.405 -9.791 -1.372 1.00 0.00 C ATOM 134 C GLY A 10 -7.173 -10.080 -0.512 1.00 0.00 C ATOM 135 O GLY A 10 -6.612 -11.173 -0.573 1.00 0.00 O ATOM 0 H GLY A 10 -8.941 -7.845 -1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.287 -9.717 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.576 -10.620 -2.059 1.00 0.00 H new ATOM 139 N ARG A 11 -6.789 -9.081 0.270 1.00 0.00 N ATOM 140 CA ARG A 11 -5.634 -9.216 1.142 1.00 0.00 C ATOM 141 C ARG A 11 -4.548 -10.050 0.459 1.00 0.00 C ATOM 142 O ARG A 11 -4.117 -11.070 0.994 1.00 0.00 O ATOM 143 CB ARG A 11 -6.018 -9.877 2.467 1.00 0.00 C ATOM 144 CG ARG A 11 -6.717 -11.216 2.229 1.00 0.00 C ATOM 145 CD ARG A 11 -7.099 -11.878 3.555 1.00 0.00 C ATOM 146 NE ARG A 11 -7.450 -13.298 3.329 1.00 0.00 N ATOM 147 CZ ARG A 11 -7.510 -14.227 4.307 1.00 0.00 C ATOM 148 NH1 ARG A 11 -7.243 -13.893 5.588 1.00 0.00 N ATOM 149 NH2 ARG A 11 -7.835 -15.467 3.993 1.00 0.00 N ATOM 0 H ARG A 11 -7.257 -8.176 0.318 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.254 -8.215 1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.125 -10.031 3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.675 -9.215 3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.611 -11.061 1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.061 -11.878 1.664 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.269 -11.807 4.258 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.943 -11.353 4.003 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.660 -13.593 2.375 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.994 -12.932 5.823 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.291 -14.601 6.320 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.036 -15.712 3.023 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.885 -16.181 4.720 1.00 0.00 H new ATOM 159 N GLU A 12 -4.137 -9.585 -0.711 1.00 0.00 N ATOM 160 CA GLU A 12 -3.110 -10.275 -1.472 1.00 0.00 C ATOM 161 C GLU A 12 -1.719 -9.839 -1.006 1.00 0.00 C ATOM 162 O GLU A 12 -1.555 -8.741 -0.476 1.00 0.00 O ATOM 163 CB GLU A 12 -3.284 -10.036 -2.973 1.00 0.00 C ATOM 164 CG GLU A 12 -2.868 -8.613 -3.353 1.00 0.00 C ATOM 165 CD GLU A 12 -1.347 -8.501 -3.473 1.00 0.00 C ATOM 166 OE1 GLU A 12 -0.755 -7.539 -2.962 1.00 0.00 O ATOM 167 OE2 GLU A 12 -0.779 -9.459 -4.122 1.00 0.00 O ATOM 0 H GLU A 12 -4.497 -8.738 -1.151 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.213 -11.345 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.685 -10.755 -3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.324 -10.202 -3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.333 -8.335 -4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.230 -7.911 -2.601 1.00 0.00 H new ATOM 173 N ALA A 13 -0.754 -10.721 -1.218 1.00 0.00 N ATOM 174 CA ALA A 13 0.616 -10.440 -0.827 1.00 0.00 C ATOM 175 C ALA A 13 1.521 -10.525 -2.057 1.00 0.00 C ATOM 176 O ALA A 13 1.054 -10.812 -3.158 1.00 0.00 O ATOM 177 CB ALA A 13 1.040 -11.411 0.278 1.00 0.00 C ATOM 0 H ALA A 13 -0.894 -11.631 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 13 0.701 -9.430 -0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.068 -11.201 0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.384 -11.290 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.970 -12.434 -0.090 1.00 0.00 H new ATOM 183 N GLY A 14 2.801 -10.271 -1.828 1.00 0.00 N ATOM 184 CA GLY A 14 3.777 -10.316 -2.904 1.00 0.00 C ATOM 185 C GLY A 14 4.903 -9.307 -2.666 1.00 0.00 C ATOM 186 O GLY A 14 5.964 -9.397 -3.282 1.00 0.00 O ATOM 0 H GLY A 14 3.185 -10.033 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.194 -11.320 -2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.287 -10.102 -3.854 1.00 0.00 H new ATOM 190 N SER A 15 4.633 -8.368 -1.770 1.00 0.00 N ATOM 191 CA SER A 15 5.610 -7.344 -1.442 1.00 0.00 C ATOM 192 C SER A 15 6.377 -7.737 -0.179 1.00 0.00 C ATOM 193 O SER A 15 6.125 -8.792 0.402 1.00 0.00 O ATOM 194 CB SER A 15 4.938 -5.982 -1.254 1.00 0.00 C ATOM 195 OG SER A 15 4.720 -5.680 0.122 1.00 0.00 O ATOM 0 H SER A 15 3.752 -8.295 -1.261 1.00 0.00 H new ATOM 0 HA SER A 15 6.311 -7.261 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.559 -5.206 -1.701 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.985 -5.972 -1.783 1.00 0.00 H new ATOM 0 HG SER A 15 5.167 -4.837 0.347 1.00 0.00 H new ATOM 200 N LYS A 16 7.297 -6.868 0.212 1.00 0.00 N ATOM 201 CA LYS A 16 8.102 -7.111 1.397 1.00 0.00 C ATOM 202 C LYS A 16 7.355 -6.597 2.629 1.00 0.00 C ATOM 203 O LYS A 16 7.949 -6.427 3.693 1.00 0.00 O ATOM 204 CB LYS A 16 9.499 -6.509 1.229 1.00 0.00 C ATOM 205 CG LYS A 16 10.105 -6.901 -0.120 1.00 0.00 C ATOM 206 CD LYS A 16 11.532 -6.365 -0.256 1.00 0.00 C ATOM 207 CE LYS A 16 11.529 -4.920 -0.759 1.00 0.00 C ATOM 208 NZ LYS A 16 11.091 -4.862 -2.171 1.00 0.00 N ATOM 0 H LYS A 16 7.503 -5.994 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 16 8.257 -8.180 1.540 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.443 -5.423 1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.146 -6.852 2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.109 -7.986 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.487 -6.510 -0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.037 -6.417 0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.096 -6.993 -0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.865 -4.315 -0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.528 -4.494 -0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.450 -3.990 -2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.463 -5.687 -2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.052 -4.868 -2.213 1.00 0.00 H new ATOM 217 N SER A 17 6.064 -6.364 2.445 1.00 0.00 N ATOM 218 CA SER A 17 5.230 -5.873 3.530 1.00 0.00 C ATOM 219 C SER A 17 5.120 -6.934 4.626 1.00 0.00 C ATOM 220 O SER A 17 4.701 -6.636 5.743 1.00 0.00 O ATOM 221 CB SER A 17 3.840 -5.486 3.023 1.00 0.00 C ATOM 222 OG SER A 17 2.992 -6.621 2.873 1.00 0.00 O ATOM 0 H SER A 17 5.575 -6.506 1.561 1.00 0.00 H new ATOM 0 HA SER A 17 5.697 -4.980 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.383 -4.782 3.718 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.933 -4.974 2.065 1.00 0.00 H new ATOM 0 HG SER A 17 2.113 -6.332 2.549 1.00 0.00 H new ATOM 227 N LYS A 18 5.504 -8.151 4.269 1.00 0.00 N ATOM 228 CA LYS A 18 5.453 -9.257 5.209 1.00 0.00 C ATOM 229 C LYS A 18 6.224 -8.880 6.476 1.00 0.00 C ATOM 230 O LYS A 18 5.680 -8.939 7.578 1.00 0.00 O ATOM 231 CB LYS A 18 5.949 -10.545 4.548 1.00 0.00 C ATOM 232 CG LYS A 18 5.108 -10.888 3.317 1.00 0.00 C ATOM 233 CD LYS A 18 3.796 -11.565 3.720 1.00 0.00 C ATOM 234 CE LYS A 18 4.017 -13.048 4.028 1.00 0.00 C ATOM 235 NZ LYS A 18 3.336 -13.893 3.021 1.00 0.00 N ATOM 0 H LYS A 18 5.852 -8.395 3.342 1.00 0.00 H new ATOM 0 HA LYS A 18 4.424 -9.455 5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.994 -10.431 4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.904 -11.366 5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.894 -9.980 2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.674 -11.547 2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.379 -11.066 4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.067 -11.461 2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.084 -13.269 4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.637 -13.280 5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.108 -14.817 3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.459 -13.427 2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.962 -14.029 2.202 1.00 0.00 H new ATOM 244 N GLY A 19 7.478 -8.502 6.276 1.00 0.00 N ATOM 245 CA GLY A 19 8.328 -8.116 7.389 1.00 0.00 C ATOM 246 C GLY A 19 7.854 -6.801 8.012 1.00 0.00 C ATOM 247 O GLY A 19 6.689 -6.672 8.385 1.00 0.00 O ATOM 0 H GLY A 19 7.925 -8.455 5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.324 -8.902 8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.357 -8.009 7.045 1.00 0.00 H new ATOM 251 N CYS A 20 8.780 -5.858 8.104 1.00 0.00 N ATOM 252 CA CYS A 20 8.471 -4.558 8.675 1.00 0.00 C ATOM 253 C CYS A 20 8.731 -3.491 7.609 1.00 0.00 C ATOM 254 O CYS A 20 9.280 -3.788 6.550 1.00 0.00 O ATOM 255 CB CYS A 20 9.272 -4.296 9.953 1.00 0.00 C ATOM 256 SG CYS A 20 8.582 -5.277 11.336 1.00 0.00 S ATOM 0 H CYS A 20 9.745 -5.968 7.793 1.00 0.00 H new ATOM 0 HA CYS A 20 7.422 -4.528 8.970 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.318 -4.558 9.797 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.243 -3.235 10.199 1.00 0.00 H new ATOM 0 HG CYS A 20 7.296 -5.396 11.185 1.00 0.00 H new ATOM 261 N ALA A 21 8.324 -2.272 7.928 1.00 0.00 N ATOM 262 CA ALA A 21 8.507 -1.158 7.011 1.00 0.00 C ATOM 263 C ALA A 21 9.994 -0.808 6.932 1.00 0.00 C ATOM 264 O ALA A 21 10.511 -0.525 5.851 1.00 0.00 O ATOM 265 CB ALA A 21 7.653 0.025 7.470 1.00 0.00 C ATOM 0 H ALA A 21 7.868 -2.030 8.808 1.00 0.00 H new ATOM 0 HA ALA A 21 8.178 -1.428 6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.790 0.860 6.783 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.603 -0.267 7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.957 0.326 8.473 1.00 0.00 H new ATOM 271 N LEU A 22 10.639 -0.839 8.087 1.00 0.00 N ATOM 272 CA LEU A 22 12.057 -0.528 8.161 1.00 0.00 C ATOM 273 C LEU A 22 12.844 -1.563 7.355 1.00 0.00 C ATOM 274 O LEU A 22 13.543 -1.214 6.405 1.00 0.00 O ATOM 275 CB LEU A 22 12.505 -0.414 9.620 1.00 0.00 C ATOM 276 CG LEU A 22 13.731 0.463 9.878 1.00 0.00 C ATOM 277 CD1 LEU A 22 13.510 1.884 9.353 1.00 0.00 C ATOM 278 CD2 LEU A 22 14.111 0.453 11.360 1.00 0.00 C ATOM 0 H LEU A 22 10.207 -1.075 8.980 1.00 0.00 H new ATOM 0 HA LEU A 22 12.258 0.445 7.713 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.673 -0.022 10.205 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.714 -1.416 9.994 1.00 0.00 H new ATOM 0 HG LEU A 22 14.572 0.043 9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.397 2.486 9.549 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.324 1.850 8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.651 2.328 9.856 1.00 0.00 H new ATOM 0 HD21 LEU A 22 14.986 1.084 11.516 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.279 0.834 11.952 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.340 -0.567 11.670 1.00 0.00 H new ATOM 289 N CYS A 23 12.706 -2.815 7.764 1.00 0.00 N ATOM 290 CA CYS A 23 13.395 -3.903 7.092 1.00 0.00 C ATOM 291 C CYS A 23 12.540 -5.166 7.220 1.00 0.00 C ATOM 292 O CYS A 23 11.781 -5.311 8.177 1.00 0.00 O ATOM 293 CB CYS A 23 14.805 -4.109 7.650 1.00 0.00 C ATOM 294 SG CYS A 23 15.933 -2.830 6.987 1.00 0.00 S ATOM 0 H CYS A 23 12.127 -3.101 8.553 1.00 0.00 H new ATOM 0 HA CYS A 23 13.524 -3.659 6.038 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.785 -4.059 8.739 1.00 0.00 H new ATOM 0 HB3 CYS A 23 15.169 -5.101 7.383 1.00 0.00 H new ATOM 0 HG CYS A 23 15.236 -1.834 6.527 1.00 0.00 H new ATOM 299 N GLY A 24 12.692 -6.047 6.242 1.00 0.00 N ATOM 300 CA GLY A 24 11.944 -7.292 6.234 1.00 0.00 C ATOM 301 C GLY A 24 12.873 -8.491 6.437 1.00 0.00 C ATOM 302 O GLY A 24 13.411 -9.033 5.473 1.00 0.00 O ATOM 0 H GLY A 24 13.322 -5.923 5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.191 -7.273 7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.413 -7.395 5.288 1.00 0.00 H new ATOM 306 N ALA A 25 13.031 -8.870 7.696 1.00 0.00 N ATOM 307 CA ALA A 25 13.885 -9.994 8.037 1.00 0.00 C ATOM 308 C ALA A 25 13.019 -11.234 8.270 1.00 0.00 C ATOM 309 O ALA A 25 13.517 -12.358 8.236 1.00 0.00 O ATOM 310 CB ALA A 25 14.734 -9.638 9.259 1.00 0.00 C ATOM 0 H ALA A 25 12.582 -8.418 8.493 1.00 0.00 H new ATOM 0 HA ALA A 25 14.569 -10.218 7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 25 15.375 -10.482 9.515 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.351 -8.769 9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 25 14.081 -9.410 10.102 1.00 0.00 H new ATOM 316 N THR A 26 11.738 -10.987 8.503 1.00 0.00 N ATOM 317 CA THR A 26 10.798 -12.070 8.741 1.00 0.00 C ATOM 318 C THR A 26 9.686 -12.052 7.691 1.00 0.00 C ATOM 319 O THR A 26 9.654 -11.173 6.831 1.00 0.00 O ATOM 320 CB THR A 26 10.282 -11.939 10.176 1.00 0.00 C ATOM 321 OG1 THR A 26 11.344 -11.290 10.870 1.00 0.00 O ATOM 322 CG2 THR A 26 10.151 -13.293 10.876 1.00 0.00 C ATOM 0 H THR A 26 11.329 -10.053 8.532 1.00 0.00 H new ATOM 0 HA THR A 26 11.280 -13.042 8.640 1.00 0.00 H new ATOM 0 HB THR A 26 9.314 -11.439 10.169 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.041 -11.035 11.767 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.781 -13.144 11.891 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.452 -13.922 10.324 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.126 -13.779 10.913 1.00 0.00 H new ATOM 330 N TRP A 27 8.801 -13.031 7.796 1.00 0.00 N ATOM 331 CA TRP A 27 7.690 -13.139 6.866 1.00 0.00 C ATOM 332 C TRP A 27 6.440 -13.516 7.664 1.00 0.00 C ATOM 333 O TRP A 27 6.540 -13.962 8.805 1.00 0.00 O ATOM 334 CB TRP A 27 8.007 -14.133 5.746 1.00 0.00 C ATOM 335 CG TRP A 27 9.502 -14.382 5.539 1.00 0.00 C ATOM 336 CD1 TRP A 27 10.282 -13.939 4.543 1.00 0.00 C ATOM 337 CD2 TRP A 27 10.372 -15.154 6.394 1.00 0.00 C ATOM 338 NE1 TRP A 27 11.585 -14.368 4.693 1.00 0.00 N ATOM 339 CE2 TRP A 27 11.642 -15.130 5.854 1.00 0.00 C ATOM 340 CE3 TRP A 27 10.094 -15.849 7.584 1.00 0.00 C ATOM 341 CZ2 TRP A 27 12.734 -15.783 6.437 1.00 0.00 C ATOM 342 CZ3 TRP A 27 11.198 -16.496 8.153 1.00 0.00 C ATOM 343 CH2 TRP A 27 12.482 -16.482 7.622 1.00 0.00 C ATOM 0 H TRP A 27 8.830 -13.757 8.511 1.00 0.00 H new ATOM 0 HA TRP A 27 7.510 -12.186 6.367 1.00 0.00 H new ATOM 0 HB2 TRP A 27 7.518 -15.082 5.967 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.578 -13.764 4.814 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.935 -13.324 3.726 1.00 0.00 H new ATOM 0 HE1 TRP A 27 12.364 -14.163 4.067 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.108 -15.881 8.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 13.719 -15.749 5.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 11.040 -17.045 9.070 1.00 0.00 H new ATOM 0 HH2 TRP A 27 13.282 -17.008 8.122 1.00 0.00 H new ATOM 353 N GLY A 28 5.293 -13.324 7.030 1.00 0.00 N ATOM 354 CA GLY A 28 4.025 -13.639 7.667 1.00 0.00 C ATOM 355 C GLY A 28 2.937 -12.651 7.239 1.00 0.00 C ATOM 356 O GLY A 28 3.092 -11.442 7.405 1.00 0.00 O ATOM 0 H GLY A 28 5.215 -12.955 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.724 -14.653 7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.141 -13.611 8.750 1.00 0.00 H new ATOM 360 N ASP A 29 1.860 -13.203 6.699 1.00 0.00 N ATOM 361 CA ASP A 29 0.748 -12.386 6.248 1.00 0.00 C ATOM 362 C ASP A 29 -0.434 -12.568 7.202 1.00 0.00 C ATOM 363 O ASP A 29 -1.485 -11.955 7.021 1.00 0.00 O ATOM 364 CB ASP A 29 0.292 -12.800 4.848 1.00 0.00 C ATOM 365 CG ASP A 29 -0.168 -14.254 4.721 1.00 0.00 C ATOM 366 OD1 ASP A 29 -0.250 -14.987 5.718 1.00 0.00 O ATOM 367 OD2 ASP A 29 -0.452 -14.634 3.521 1.00 0.00 O ATOM 0 H ASP A 29 1.735 -14.206 6.564 1.00 0.00 H new ATOM 0 HA ASP A 29 1.080 -11.348 6.227 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.526 -12.148 4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.113 -12.632 4.151 1.00 0.00 H new ATOM 372 N TYR A 30 -0.223 -13.415 8.199 1.00 0.00 N ATOM 373 CA TYR A 30 -1.258 -13.687 9.183 1.00 0.00 C ATOM 374 C TYR A 30 -1.795 -12.388 9.785 1.00 0.00 C ATOM 375 O TYR A 30 -2.968 -12.306 10.148 1.00 0.00 O ATOM 376 CB TYR A 30 -0.586 -14.507 10.286 1.00 0.00 C ATOM 377 CG TYR A 30 0.194 -15.719 9.772 1.00 0.00 C ATOM 378 CD1 TYR A 30 -0.456 -16.709 9.063 1.00 0.00 C ATOM 379 CD2 TYR A 30 1.549 -15.822 10.018 1.00 0.00 C ATOM 380 CE1 TYR A 30 0.279 -17.849 8.580 1.00 0.00 C ATOM 381 CE2 TYR A 30 2.283 -16.962 9.534 1.00 0.00 C ATOM 382 CZ TYR A 30 1.612 -17.919 8.839 1.00 0.00 C ATOM 383 OH TYR A 30 2.306 -18.997 8.383 1.00 0.00 O ATOM 0 H TYR A 30 0.650 -13.922 8.347 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.096 -14.212 8.724 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.092 -13.861 10.843 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.348 -14.849 10.986 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.516 -16.629 8.871 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.058 -15.048 10.573 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.217 -18.631 8.024 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.343 -17.055 9.719 1.00 0.00 H new ATOM 0 HH TYR A 30 3.248 -18.913 8.641 1.00 0.00 H new ATOM 392 N HIS A 31 -0.912 -11.404 9.875 1.00 0.00 N ATOM 393 CA HIS A 31 -1.283 -10.113 10.428 1.00 0.00 C ATOM 394 C HIS A 31 -1.765 -9.193 9.305 1.00 0.00 C ATOM 395 O HIS A 31 -1.797 -9.592 8.142 1.00 0.00 O ATOM 396 CB HIS A 31 -0.127 -9.513 11.230 1.00 0.00 C ATOM 397 CG HIS A 31 -0.519 -9.032 12.607 1.00 0.00 C ATOM 398 ND1 HIS A 31 -0.891 -9.724 13.722 1.00 0.00 N flip ATOM 399 CD2 HIS A 31 -0.557 -7.691 12.949 1.00 0.00 C flip ATOM 400 CE1 HIS A 31 -1.141 -8.855 14.692 1.00 0.00 C flip ATOM 401 NE2 HIS A 31 -0.936 -7.593 14.216 1.00 0.00 N flip ATOM 0 H HIS A 31 0.060 -11.475 9.574 1.00 0.00 H new ATOM 0 HA HIS A 31 -2.109 -10.238 11.129 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.660 -10.261 11.328 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.294 -8.678 10.671 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.319 -6.865 12.295 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -1.455 -9.105 15.694 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -1.054 -6.727 14.742 1.00 0.00 H new ATOM 408 N ALA A 32 -2.129 -7.979 9.692 1.00 0.00 N ATOM 409 CA ALA A 32 -2.608 -6.999 8.732 1.00 0.00 C ATOM 410 C ALA A 32 -1.468 -6.044 8.374 1.00 0.00 C ATOM 411 O ALA A 32 -0.482 -5.947 9.102 1.00 0.00 O ATOM 412 CB ALA A 32 -3.821 -6.269 9.311 1.00 0.00 C ATOM 0 H ALA A 32 -2.102 -7.652 10.658 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.930 -7.487 7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.181 -5.534 8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.612 -6.988 9.521 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.535 -5.764 10.234 1.00 0.00 H new ATOM 418 N ASP A 33 -1.642 -5.361 7.251 1.00 0.00 N ATOM 419 CA ASP A 33 -0.640 -4.416 6.787 1.00 0.00 C ATOM 420 C ASP A 33 -1.336 -3.160 6.262 1.00 0.00 C ATOM 421 O ASP A 33 -2.377 -3.247 5.613 1.00 0.00 O ATOM 422 CB ASP A 33 0.189 -5.010 5.647 1.00 0.00 C ATOM 423 CG ASP A 33 -0.573 -5.954 4.715 1.00 0.00 C ATOM 424 OD1 ASP A 33 -0.916 -5.591 3.579 1.00 0.00 O ATOM 425 OD2 ASP A 33 -0.819 -7.121 5.204 1.00 0.00 O ATOM 0 H ASP A 33 -2.462 -5.443 6.649 1.00 0.00 H new ATOM 0 HA ASP A 33 0.016 -4.180 7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.601 -4.193 5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.033 -5.550 6.075 1.00 0.00 H new ATOM 430 N PHE A 34 -0.732 -2.018 6.561 1.00 0.00 N ATOM 431 CA PHE A 34 -1.281 -0.745 6.127 1.00 0.00 C ATOM 432 C PHE A 34 -0.730 -0.350 4.755 1.00 0.00 C ATOM 433 O PHE A 34 0.071 -1.079 4.170 1.00 0.00 O ATOM 434 CB PHE A 34 -0.851 0.302 7.157 1.00 0.00 C ATOM 435 CG PHE A 34 -1.117 -0.107 8.606 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.389 -0.346 9.024 1.00 0.00 C ATOM 437 CD2 PHE A 34 -0.081 -0.232 9.479 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.636 -0.725 10.370 1.00 0.00 C ATOM 439 CE2 PHE A 34 -0.327 -0.611 10.825 1.00 0.00 C ATOM 440 CZ PHE A 34 -1.600 -0.849 11.242 1.00 0.00 C ATOM 0 H PHE A 34 0.132 -1.949 7.099 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.366 -0.815 6.047 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.214 0.500 7.036 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.375 1.236 6.952 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.212 -0.247 8.332 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.929 -0.043 9.148 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.646 -0.915 10.701 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.496 -0.710 11.517 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.788 -1.137 12.266 1.00 0.00 H new ATOM 449 N LEU A 35 -1.180 0.802 4.282 1.00 0.00 N ATOM 450 CA LEU A 35 -0.741 1.304 2.990 1.00 0.00 C ATOM 451 C LEU A 35 0.785 1.410 2.980 1.00 0.00 C ATOM 452 O LEU A 35 1.394 1.554 1.921 1.00 0.00 O ATOM 453 CB LEU A 35 -1.452 2.617 2.655 1.00 0.00 C ATOM 454 CG LEU A 35 -1.372 3.713 3.720 1.00 0.00 C ATOM 455 CD1 LEU A 35 0.077 4.139 3.962 1.00 0.00 C ATOM 456 CD2 LEU A 35 -2.265 4.900 3.353 1.00 0.00 C ATOM 0 H LEU A 35 -1.844 1.403 4.770 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.017 0.608 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.033 3.008 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.503 2.400 2.464 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.748 3.305 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.105 4.919 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.657 3.280 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.503 4.522 3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.190 5.665 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.943 5.316 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.299 4.566 3.273 1.00 0.00 H new ATOM 467 N GLY A 36 1.359 1.337 4.172 1.00 0.00 N ATOM 468 CA GLY A 36 2.802 1.424 4.314 1.00 0.00 C ATOM 469 C GLY A 36 3.464 0.074 4.028 1.00 0.00 C ATOM 470 O GLY A 36 4.607 -0.157 4.419 1.00 0.00 O ATOM 0 H GLY A 36 0.851 1.219 5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.193 2.177 3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.053 1.749 5.324 1.00 0.00 H new ATOM 474 N GLU A 37 2.715 -0.783 3.348 1.00 0.00 N ATOM 475 CA GLU A 37 3.215 -2.105 3.005 1.00 0.00 C ATOM 476 C GLU A 37 4.211 -2.586 4.062 1.00 0.00 C ATOM 477 O GLU A 37 5.378 -2.827 3.757 1.00 0.00 O ATOM 478 CB GLU A 37 3.849 -2.106 1.613 1.00 0.00 C ATOM 479 CG GLU A 37 5.074 -1.190 1.567 1.00 0.00 C ATOM 480 CD GLU A 37 6.368 -2.006 1.558 1.00 0.00 C ATOM 481 OE1 GLU A 37 6.474 -2.994 0.817 1.00 0.00 O ATOM 482 OE2 GLU A 37 7.288 -1.578 2.357 1.00 0.00 O ATOM 0 H GLU A 37 1.767 -0.588 3.026 1.00 0.00 H new ATOM 0 HA GLU A 37 2.373 -2.797 2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.139 -3.121 1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.117 -1.777 0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.030 -0.562 0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.066 -0.523 2.429 1.00 0.00 H new ATOM 488 N ASP A 38 3.713 -2.712 5.284 1.00 0.00 N ATOM 489 CA ASP A 38 4.545 -3.161 6.387 1.00 0.00 C ATOM 490 C ASP A 38 3.677 -3.911 7.401 1.00 0.00 C ATOM 491 O ASP A 38 2.487 -3.631 7.533 1.00 0.00 O ATOM 492 CB ASP A 38 5.194 -1.977 7.106 1.00 0.00 C ATOM 493 CG ASP A 38 4.246 -1.152 7.980 1.00 0.00 C ATOM 494 OD1 ASP A 38 3.677 -1.659 8.958 1.00 0.00 O ATOM 495 OD2 ASP A 38 4.101 0.077 7.618 1.00 0.00 O ATOM 0 H ASP A 38 2.745 -2.511 5.534 1.00 0.00 H new ATOM 0 HA ASP A 38 5.324 -3.807 5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.006 -2.351 7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.641 -1.320 6.361 1.00 0.00 H new ATOM 500 N LEU A 39 4.308 -4.849 8.092 1.00 0.00 N ATOM 501 CA LEU A 39 3.610 -5.641 9.090 1.00 0.00 C ATOM 502 C LEU A 39 4.211 -5.362 10.469 1.00 0.00 C ATOM 503 O LEU A 39 5.425 -5.444 10.649 1.00 0.00 O ATOM 504 CB LEU A 39 3.620 -7.121 8.702 1.00 0.00 C ATOM 505 CG LEU A 39 2.250 -7.766 8.483 1.00 0.00 C ATOM 506 CD1 LEU A 39 1.932 -7.884 6.991 1.00 0.00 C ATOM 507 CD2 LEU A 39 2.159 -9.116 9.198 1.00 0.00 C ATOM 0 H LEU A 39 5.296 -5.078 7.980 1.00 0.00 H new ATOM 0 HA LEU A 39 2.559 -5.355 9.137 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.202 -7.233 7.787 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.141 -7.677 9.481 1.00 0.00 H new ATOM 0 HG LEU A 39 1.492 -7.117 8.923 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.953 -8.346 6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.927 -6.891 6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.689 -8.499 6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.175 -9.553 9.026 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.926 -9.786 8.810 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.310 -8.972 10.268 1.00 0.00 H new ATOM 518 N PHE A 40 3.333 -5.038 11.408 1.00 0.00 N ATOM 519 CA PHE A 40 3.763 -4.747 12.765 1.00 0.00 C ATOM 520 C PHE A 40 3.498 -5.936 13.690 1.00 0.00 C ATOM 521 O PHE A 40 3.380 -5.769 14.903 1.00 0.00 O ATOM 522 CB PHE A 40 2.942 -3.549 13.246 1.00 0.00 C ATOM 523 CG PHE A 40 1.467 -3.868 13.502 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.581 -3.862 12.470 1.00 0.00 C ATOM 525 CD2 PHE A 40 1.042 -4.156 14.761 1.00 0.00 C ATOM 526 CE1 PHE A 40 -0.788 -4.158 12.707 1.00 0.00 C ATOM 527 CE2 PHE A 40 -0.326 -4.452 14.998 1.00 0.00 C ATOM 528 CZ PHE A 40 -1.212 -4.446 13.966 1.00 0.00 C ATOM 0 H PHE A 40 2.327 -4.971 11.255 1.00 0.00 H new ATOM 0 HA PHE A 40 4.833 -4.540 12.781 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.385 -3.164 14.165 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.008 -2.755 12.503 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.918 -3.632 11.470 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.745 -4.160 15.581 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.491 -4.154 11.888 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.663 -4.682 15.998 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.253 -4.670 14.147 1.00 0.00 H new ATOM 537 N PHE A 41 3.414 -7.111 13.083 1.00 0.00 N ATOM 538 CA PHE A 41 3.166 -8.327 13.838 1.00 0.00 C ATOM 539 C PHE A 41 4.477 -9.046 14.166 1.00 0.00 C ATOM 540 O PHE A 41 4.485 -10.014 14.925 1.00 0.00 O ATOM 541 CB PHE A 41 2.309 -9.236 12.954 1.00 0.00 C ATOM 542 CG PHE A 41 3.095 -10.345 12.253 1.00 0.00 C ATOM 543 CD1 PHE A 41 4.040 -10.029 11.328 1.00 0.00 C ATOM 544 CD2 PHE A 41 2.849 -11.647 12.556 1.00 0.00 C ATOM 545 CE1 PHE A 41 4.770 -11.058 10.677 1.00 0.00 C ATOM 546 CE2 PHE A 41 3.579 -12.678 11.905 1.00 0.00 C ATOM 547 CZ PHE A 41 4.524 -12.361 10.979 1.00 0.00 C ATOM 0 H PHE A 41 3.513 -7.246 12.077 1.00 0.00 H new ATOM 0 HA PHE A 41 2.669 -8.086 14.778 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.529 -9.689 13.566 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.810 -8.627 12.200 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.236 -8.994 11.088 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.099 -11.898 13.291 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.520 -10.806 9.942 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.384 -13.713 12.145 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.079 -13.144 10.484 1.00 0.00 H new ATOM 556 N CYS A 42 5.554 -8.544 13.578 1.00 0.00 N ATOM 557 CA CYS A 42 6.867 -9.126 13.798 1.00 0.00 C ATOM 558 C CYS A 42 7.546 -8.361 14.935 1.00 0.00 C ATOM 559 O CYS A 42 7.888 -8.944 15.963 1.00 0.00 O ATOM 560 CB CYS A 42 7.710 -9.118 12.521 1.00 0.00 C ATOM 561 SG CYS A 42 9.490 -9.142 12.948 1.00 0.00 S ATOM 0 H CYS A 42 5.544 -7.741 12.950 1.00 0.00 H new ATOM 0 HA CYS A 42 6.761 -10.174 14.079 1.00 0.00 H new ATOM 0 HB2 CYS A 42 7.463 -9.984 11.907 1.00 0.00 H new ATOM 0 HB3 CYS A 42 7.481 -8.232 11.929 1.00 0.00 H new ATOM 0 HG CYS A 42 10.198 -9.137 11.858 1.00 0.00 H new ATOM 566 N CYS A 43 7.721 -7.067 14.714 1.00 0.00 N ATOM 567 CA CYS A 43 8.353 -6.216 15.708 1.00 0.00 C ATOM 568 C CYS A 43 7.289 -5.282 16.288 1.00 0.00 C ATOM 569 O CYS A 43 7.033 -5.299 17.491 1.00 0.00 O ATOM 570 CB CYS A 43 9.533 -5.440 15.120 1.00 0.00 C ATOM 571 SG CYS A 43 10.946 -5.473 16.283 1.00 0.00 S ATOM 0 H CYS A 43 7.436 -6.586 13.861 1.00 0.00 H new ATOM 0 HA CYS A 43 8.768 -6.832 16.506 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.827 -5.877 14.166 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.239 -4.409 14.922 1.00 0.00 H new ATOM 0 HG CYS A 43 11.943 -4.813 15.773 1.00 0.00 H new ATOM 576 N ASP A 44 6.699 -4.489 15.406 1.00 0.00 N ATOM 577 CA ASP A 44 5.668 -3.550 15.815 1.00 0.00 C ATOM 578 C ASP A 44 6.300 -2.442 16.661 1.00 0.00 C ATOM 579 O ASP A 44 5.596 -1.696 17.339 1.00 0.00 O ATOM 580 CB ASP A 44 4.600 -4.242 16.666 1.00 0.00 C ATOM 581 CG ASP A 44 4.579 -3.829 18.138 1.00 0.00 C ATOM 582 OD1 ASP A 44 5.531 -4.092 18.888 1.00 0.00 O ATOM 583 OD2 ASP A 44 3.515 -3.205 18.515 1.00 0.00 O ATOM 0 H ASP A 44 6.915 -4.477 14.409 1.00 0.00 H new ATOM 0 HA ASP A 44 5.206 -3.143 14.915 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.621 -4.036 16.232 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.753 -5.320 16.609 1.00 0.00 H new ATOM 588 N ILE A 45 7.622 -2.370 16.591 1.00 0.00 N ATOM 589 CA ILE A 45 8.356 -1.366 17.341 1.00 0.00 C ATOM 590 C ILE A 45 8.809 -0.255 16.391 1.00 0.00 C ATOM 591 O ILE A 45 8.399 0.895 16.535 1.00 0.00 O ATOM 592 CB ILE A 45 9.502 -2.012 18.121 1.00 0.00 C ATOM 593 CG1 ILE A 45 8.971 -3.012 19.151 1.00 0.00 C ATOM 594 CG2 ILE A 45 10.397 -0.950 18.763 1.00 0.00 C ATOM 595 CD1 ILE A 45 8.562 -2.303 20.443 1.00 0.00 C ATOM 0 H ILE A 45 8.203 -2.990 16.027 1.00 0.00 H new ATOM 0 HA ILE A 45 7.712 -0.904 18.089 1.00 0.00 H new ATOM 0 HB ILE A 45 10.119 -2.571 17.418 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.115 -3.545 18.738 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.736 -3.757 19.368 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.203 -1.437 19.311 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.819 -0.312 17.986 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.807 -0.343 19.449 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.188 -3.036 21.158 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.426 -1.791 20.866 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.780 -1.576 20.227 1.00 0.00 H new ATOM 606 N CYS A 46 9.647 -0.639 15.439 1.00 0.00 N ATOM 607 CA CYS A 46 10.159 0.309 14.465 1.00 0.00 C ATOM 608 C CYS A 46 9.231 0.297 13.248 1.00 0.00 C ATOM 609 O CYS A 46 9.342 1.151 12.371 1.00 0.00 O ATOM 610 CB CYS A 46 11.607 0.000 14.081 1.00 0.00 C ATOM 611 SG CYS A 46 11.691 -1.594 13.185 1.00 0.00 S ATOM 0 H CYS A 46 9.984 -1.595 15.322 1.00 0.00 H new ATOM 0 HA CYS A 46 10.173 1.308 14.900 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.004 0.799 13.456 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.228 -0.043 14.976 1.00 0.00 H new ATOM 0 HG CYS A 46 12.925 -1.846 12.862 1.00 0.00 H new ATOM 616 N ALA A 47 8.338 -0.681 13.235 1.00 0.00 N ATOM 617 CA ALA A 47 7.391 -0.817 12.142 1.00 0.00 C ATOM 618 C ALA A 47 6.042 -0.235 12.566 1.00 0.00 C ATOM 619 O ALA A 47 5.804 -0.008 13.751 1.00 0.00 O ATOM 620 CB ALA A 47 7.290 -2.287 11.732 1.00 0.00 C ATOM 0 H ALA A 47 8.250 -1.388 13.965 1.00 0.00 H new ATOM 0 HA ALA A 47 7.730 -0.259 11.269 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.579 -2.388 10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.269 -2.643 11.410 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.950 -2.879 12.582 1.00 0.00 H new ATOM 626 N ALA A 48 5.191 -0.010 11.574 1.00 0.00 N ATOM 627 CA ALA A 48 3.872 0.541 11.830 1.00 0.00 C ATOM 628 C ALA A 48 4.008 2.003 12.259 1.00 0.00 C ATOM 629 O ALA A 48 3.606 2.370 13.362 1.00 0.00 O ATOM 630 CB ALA A 48 3.158 -0.311 12.882 1.00 0.00 C ATOM 0 H ALA A 48 5.391 -0.200 10.592 1.00 0.00 H new ATOM 0 HA ALA A 48 3.265 0.519 10.925 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.168 0.102 13.074 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.060 -1.333 12.517 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.737 -0.310 13.805 1.00 0.00 H new ATOM 636 N GLU A 49 4.577 2.797 11.365 1.00 0.00 N ATOM 637 CA GLU A 49 4.772 4.211 11.637 1.00 0.00 C ATOM 638 C GLU A 49 3.501 4.996 11.304 1.00 0.00 C ATOM 639 O GLU A 49 2.729 4.595 10.434 1.00 0.00 O ATOM 640 CB GLU A 49 5.973 4.759 10.861 1.00 0.00 C ATOM 641 CG GLU A 49 7.287 4.268 11.469 1.00 0.00 C ATOM 642 CD GLU A 49 8.313 3.956 10.378 1.00 0.00 C ATOM 643 OE1 GLU A 49 8.760 2.806 10.256 1.00 0.00 O ATOM 644 OE2 GLU A 49 8.645 4.960 9.638 1.00 0.00 O ATOM 0 H GLU A 49 4.909 2.488 10.451 1.00 0.00 H new ATOM 0 HA GLU A 49 4.982 4.330 12.700 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.911 4.446 9.819 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.949 5.849 10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.686 5.027 12.142 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.104 3.375 12.067 1.00 0.00 H new ATOM 650 N PHE A 50 3.322 6.100 12.015 1.00 0.00 N ATOM 651 CA PHE A 50 2.159 6.944 11.806 1.00 0.00 C ATOM 652 C PHE A 50 2.451 8.039 10.778 1.00 0.00 C ATOM 653 O PHE A 50 1.594 8.873 10.493 1.00 0.00 O ATOM 654 CB PHE A 50 1.833 7.598 13.151 1.00 0.00 C ATOM 655 CG PHE A 50 1.617 6.602 14.292 1.00 0.00 C ATOM 656 CD1 PHE A 50 1.021 5.404 14.044 1.00 0.00 C ATOM 657 CD2 PHE A 50 2.020 6.913 15.552 1.00 0.00 C ATOM 658 CE1 PHE A 50 0.819 4.479 15.103 1.00 0.00 C ATOM 659 CE2 PHE A 50 1.819 5.987 16.611 1.00 0.00 C ATOM 660 CZ PHE A 50 1.223 4.791 16.363 1.00 0.00 C ATOM 0 H PHE A 50 3.964 6.429 12.736 1.00 0.00 H new ATOM 0 HA PHE A 50 1.329 6.345 11.432 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.645 8.273 13.421 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.936 8.207 13.039 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.702 5.157 13.042 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.493 7.864 15.748 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.345 3.529 14.907 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.140 6.234 17.612 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.070 4.087 17.168 1.00 0.00 H new ATOM 669 N MET A 51 3.666 7.998 10.248 1.00 0.00 N ATOM 670 CA MET A 51 4.083 8.977 9.258 1.00 0.00 C ATOM 671 C MET A 51 3.076 9.055 8.109 1.00 0.00 C ATOM 672 O MET A 51 3.044 10.042 7.374 1.00 0.00 O ATOM 673 CB MET A 51 5.457 8.591 8.708 1.00 0.00 C ATOM 674 CG MET A 51 6.361 9.820 8.580 1.00 0.00 C ATOM 675 SD MET A 51 6.728 10.478 10.198 1.00 0.00 S ATOM 676 CE MET A 51 5.663 11.910 10.199 1.00 0.00 C ATOM 0 H MET A 51 4.374 7.303 10.485 1.00 0.00 H new ATOM 0 HA MET A 51 4.135 9.954 9.738 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.924 7.859 9.367 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.342 8.116 7.734 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.286 9.550 8.070 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.871 10.580 7.972 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.267 12.813 10.288 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.097 11.943 9.268 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.973 11.850 11.041 1.00 0.00 H new ATOM 684 N ASN A 52 2.278 8.004 7.988 1.00 0.00 N ATOM 685 CA ASN A 52 1.275 7.942 6.940 1.00 0.00 C ATOM 686 C ASN A 52 -0.033 8.546 7.457 1.00 0.00 C ATOM 687 O ASN A 52 -0.082 9.071 8.569 1.00 0.00 O ATOM 688 CB ASN A 52 0.996 6.495 6.529 1.00 0.00 C ATOM 689 CG ASN A 52 2.286 5.673 6.511 1.00 0.00 C ATOM 690 OD1 ASN A 52 2.488 4.769 7.305 1.00 0.00 O ATOM 691 ND2 ASN A 52 3.144 6.034 5.561 1.00 0.00 N ATOM 0 H ASN A 52 2.306 7.188 8.599 1.00 0.00 H new ATOM 0 HA ASN A 52 1.652 8.495 6.080 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.284 6.047 7.222 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.534 6.476 5.542 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.034 5.545 5.465 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.912 6.800 4.929 1.00 0.00 H new ATOM 697 N MET A 53 -1.060 8.454 6.626 1.00 0.00 N ATOM 698 CA MET A 53 -2.363 8.985 6.984 1.00 0.00 C ATOM 699 C MET A 53 -3.163 7.970 7.804 1.00 0.00 C ATOM 700 O MET A 53 -2.956 6.764 7.677 1.00 0.00 O ATOM 701 CB MET A 53 -3.139 9.338 5.713 1.00 0.00 C ATOM 702 CG MET A 53 -2.584 10.610 5.068 1.00 0.00 C ATOM 703 SD MET A 53 -3.923 11.619 4.455 1.00 0.00 S ATOM 704 CE MET A 53 -3.116 13.210 4.407 1.00 0.00 C ATOM 0 H MET A 53 -1.016 8.019 5.705 1.00 0.00 H new ATOM 0 HA MET A 53 -2.215 9.879 7.590 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.080 8.511 5.005 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.193 9.478 5.953 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.999 11.171 5.796 1.00 0.00 H new ATOM 0 HG3 MET A 53 -1.911 10.349 4.251 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.596 13.839 3.657 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.194 13.687 5.384 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.065 13.077 4.151 1.00 0.00 H new ATOM 712 N MET A 54 -4.057 8.496 8.627 1.00 0.00 N ATOM 713 CA MET A 54 -4.889 7.650 9.468 1.00 0.00 C ATOM 714 C MET A 54 -5.612 6.590 8.634 1.00 0.00 C ATOM 715 O MET A 54 -5.811 5.466 9.091 1.00 0.00 O ATOM 716 CB MET A 54 -5.918 8.513 10.201 1.00 0.00 C ATOM 717 CG MET A 54 -5.323 9.109 11.478 1.00 0.00 C ATOM 718 SD MET A 54 -4.962 7.810 12.647 1.00 0.00 S ATOM 719 CE MET A 54 -6.619 7.291 13.056 1.00 0.00 C ATOM 0 H MET A 54 -4.224 9.497 8.730 1.00 0.00 H new ATOM 0 HA MET A 54 -4.248 7.143 10.189 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.259 9.315 9.546 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.792 7.911 10.449 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.413 9.660 11.242 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.022 9.821 11.917 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.626 6.850 14.053 1.00 0.00 H new ATOM 0 HE2 MET A 54 -7.286 8.153 13.036 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.959 6.553 12.330 1.00 0.00 H new ATOM 727 N ASP A 55 -5.985 6.986 7.426 1.00 0.00 N ATOM 728 CA ASP A 55 -6.682 6.084 6.525 1.00 0.00 C ATOM 729 C ASP A 55 -5.986 4.722 6.535 1.00 0.00 C ATOM 730 O ASP A 55 -6.640 3.686 6.425 1.00 0.00 O ATOM 731 CB ASP A 55 -6.662 6.615 5.090 1.00 0.00 C ATOM 732 CG ASP A 55 -5.303 7.130 4.610 1.00 0.00 C ATOM 733 OD1 ASP A 55 -4.318 6.381 4.560 1.00 0.00 O ATOM 734 OD2 ASP A 55 -5.281 8.376 4.274 1.00 0.00 O ATOM 0 H ASP A 55 -5.818 7.919 7.050 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.715 6.000 6.864 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.990 5.820 4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.390 7.422 5.007 1.00 0.00 H new ATOM 739 N GLU A 56 -4.669 4.767 6.669 1.00 0.00 N ATOM 740 CA GLU A 56 -3.877 3.549 6.695 1.00 0.00 C ATOM 741 C GLU A 56 -4.533 2.508 7.605 1.00 0.00 C ATOM 742 O GLU A 56 -4.605 1.330 7.256 1.00 0.00 O ATOM 743 CB GLU A 56 -2.441 3.837 7.139 1.00 0.00 C ATOM 744 CG GLU A 56 -2.296 3.695 8.655 1.00 0.00 C ATOM 745 CD GLU A 56 -0.911 4.149 9.118 1.00 0.00 C ATOM 746 OE1 GLU A 56 -0.007 3.315 9.277 1.00 0.00 O ATOM 747 OE2 GLU A 56 -0.791 5.417 9.316 1.00 0.00 O ATOM 0 H GLU A 56 -4.130 5.628 6.761 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.836 3.145 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.758 3.151 6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.158 4.845 6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.063 4.288 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.458 2.656 8.944 1.00 0.00 H new ATOM 753 N ALA A 57 -4.996 2.981 8.752 1.00 0.00 N ATOM 754 CA ALA A 57 -5.643 2.106 9.715 1.00 0.00 C ATOM 755 C ALA A 57 -6.941 1.563 9.112 1.00 0.00 C ATOM 756 O ALA A 57 -7.177 0.357 9.121 1.00 0.00 O ATOM 757 CB ALA A 57 -5.882 2.869 11.019 1.00 0.00 C ATOM 0 H ALA A 57 -4.936 3.959 9.037 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.005 1.254 9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.367 2.212 11.741 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.928 3.209 11.422 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.521 3.730 10.825 1.00 0.00 H new ATOM 763 N PHE A 58 -7.749 2.482 8.602 1.00 0.00 N ATOM 764 CA PHE A 58 -9.016 2.111 7.996 1.00 0.00 C ATOM 765 C PHE A 58 -8.814 1.060 6.902 1.00 0.00 C ATOM 766 O PHE A 58 -9.609 0.130 6.776 1.00 0.00 O ATOM 767 CB PHE A 58 -9.599 3.378 7.367 1.00 0.00 C ATOM 768 CG PHE A 58 -10.497 4.184 8.307 1.00 0.00 C ATOM 769 CD1 PHE A 58 -11.521 3.570 8.960 1.00 0.00 C ATOM 770 CD2 PHE A 58 -10.273 5.512 8.491 1.00 0.00 C ATOM 771 CE1 PHE A 58 -12.355 4.317 9.834 1.00 0.00 C ATOM 772 CE2 PHE A 58 -11.107 6.259 9.364 1.00 0.00 C ATOM 773 CZ PHE A 58 -12.131 5.646 10.017 1.00 0.00 C ATOM 0 H PHE A 58 -7.550 3.482 8.596 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.679 1.689 8.751 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.780 4.014 7.030 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.172 3.101 6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -11.699 2.515 8.814 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.460 5.999 7.973 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -13.167 3.830 10.353 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -10.928 7.314 9.510 1.00 0.00 H new ATOM 0 HZ PHE A 58 -12.766 6.214 10.680 1.00 0.00 H new ATOM 782 N LYS A 59 -7.746 1.243 6.140 1.00 0.00 N ATOM 783 CA LYS A 59 -7.430 0.323 5.062 1.00 0.00 C ATOM 784 C LYS A 59 -7.560 -1.115 5.570 1.00 0.00 C ATOM 785 O LYS A 59 -8.284 -1.920 4.986 1.00 0.00 O ATOM 786 CB LYS A 59 -6.057 0.643 4.469 1.00 0.00 C ATOM 787 CG LYS A 59 -5.980 0.218 3.001 1.00 0.00 C ATOM 788 CD LYS A 59 -6.900 1.077 2.132 1.00 0.00 C ATOM 789 CE LYS A 59 -6.091 1.917 1.141 1.00 0.00 C ATOM 790 NZ LYS A 59 -5.607 1.076 0.023 1.00 0.00 N ATOM 0 H LYS A 59 -7.089 2.015 6.248 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.140 0.438 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.861 1.712 4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.282 0.132 5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.953 0.306 2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.261 -0.831 2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.595 0.437 1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.498 1.732 2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.708 2.728 0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.244 2.377 1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.103 1.671 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.961 0.349 0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.416 0.617 -0.442 1.00 0.00 H new ATOM 799 N HIS A 60 -6.847 -1.393 6.652 1.00 0.00 N ATOM 800 CA HIS A 60 -6.874 -2.719 7.245 1.00 0.00 C ATOM 801 C HIS A 60 -8.324 -3.172 7.425 1.00 0.00 C ATOM 802 O HIS A 60 -8.708 -4.242 6.952 1.00 0.00 O ATOM 803 CB HIS A 60 -6.079 -2.745 8.552 1.00 0.00 C ATOM 804 CG HIS A 60 -6.807 -3.404 9.700 1.00 0.00 C ATOM 805 ND1 HIS A 60 -7.712 -2.900 10.587 1.00 0.00 N flip ATOM 806 CD2 HIS A 60 -6.630 -4.734 10.035 1.00 0.00 C flip ATOM 807 CE1 HIS A 60 -8.071 -3.871 11.418 1.00 0.00 C flip ATOM 808 NE2 HIS A 60 -7.400 -5.009 11.077 1.00 0.00 N flip ATOM 0 H HIS A 60 -6.247 -0.723 7.133 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.388 -3.430 6.577 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -5.138 -3.269 8.383 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.828 -1.722 8.833 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.975 -5.430 9.532 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.777 -3.776 12.230 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.478 -5.913 11.543 1.00 0.00 H new ATOM 815 N THR A 61 -9.092 -2.336 8.108 1.00 0.00 N ATOM 816 CA THR A 61 -10.491 -2.637 8.355 1.00 0.00 C ATOM 817 C THR A 61 -11.258 -2.732 7.034 1.00 0.00 C ATOM 818 O THR A 61 -12.178 -3.538 6.903 1.00 0.00 O ATOM 819 CB THR A 61 -11.044 -1.571 9.303 1.00 0.00 C ATOM 820 OG1 THR A 61 -10.445 -1.879 10.559 1.00 0.00 O ATOM 821 CG2 THR A 61 -12.544 -1.733 9.556 1.00 0.00 C ATOM 0 H THR A 61 -8.771 -1.450 8.498 1.00 0.00 H new ATOM 0 HA THR A 61 -10.607 -3.610 8.833 1.00 0.00 H new ATOM 0 HB THR A 61 -10.851 -0.582 8.888 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.497 -2.088 10.427 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.885 -0.951 10.235 1.00 0.00 H new ATOM 0 HG22 THR A 61 -13.083 -1.654 8.612 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.734 -2.709 10.002 1.00 0.00 H new ATOM 829 N ALA A 62 -10.851 -1.897 6.090 1.00 0.00 N ATOM 830 CA ALA A 62 -11.488 -1.877 4.784 1.00 0.00 C ATOM 831 C ALA A 62 -11.258 -3.219 4.087 1.00 0.00 C ATOM 832 O ALA A 62 -12.207 -3.865 3.646 1.00 0.00 O ATOM 833 CB ALA A 62 -10.948 -0.698 3.971 1.00 0.00 C ATOM 0 H ALA A 62 -10.088 -1.229 6.203 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.565 -1.739 4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.425 -0.683 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.163 0.234 4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.870 -0.804 3.848 1.00 0.00 H new ATOM 839 N ARG A 63 -9.991 -3.600 4.012 1.00 0.00 N ATOM 840 CA ARG A 63 -9.624 -4.855 3.377 1.00 0.00 C ATOM 841 C ARG A 63 -9.834 -6.021 4.345 1.00 0.00 C ATOM 842 O ARG A 63 -9.416 -7.145 4.068 1.00 0.00 O ATOM 843 CB ARG A 63 -8.163 -4.835 2.922 1.00 0.00 C ATOM 844 CG ARG A 63 -7.224 -4.593 4.104 1.00 0.00 C ATOM 845 CD ARG A 63 -6.192 -3.512 3.774 1.00 0.00 C ATOM 846 NE ARG A 63 -4.963 -4.135 3.232 1.00 0.00 N ATOM 847 CZ ARG A 63 -3.790 -3.484 3.079 1.00 0.00 C ATOM 848 NH1 ARG A 63 -3.677 -2.185 3.426 1.00 0.00 N ATOM 849 NH2 ARG A 63 -2.756 -4.138 2.584 1.00 0.00 N ATOM 0 H ARG A 63 -9.206 -3.062 4.380 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.263 -4.984 2.503 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.914 -5.782 2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.022 -4.054 2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.803 -4.293 4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.714 -5.521 4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.606 -2.812 3.048 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.954 -2.939 4.670 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.005 -5.116 2.957 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.481 -1.687 3.807 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.787 -1.701 3.307 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.851 -5.120 2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.862 -3.662 2.462 1.00 0.00 H new ATOM 859 N HIS A 64 -10.478 -5.714 5.461 1.00 0.00 N ATOM 860 CA HIS A 64 -10.747 -6.722 6.471 1.00 0.00 C ATOM 861 C HIS A 64 -11.930 -7.588 6.030 1.00 0.00 C ATOM 862 O HIS A 64 -11.865 -8.814 6.097 1.00 0.00 O ATOM 863 CB HIS A 64 -10.965 -6.075 7.841 1.00 0.00 C ATOM 864 CG HIS A 64 -11.004 -7.059 8.986 1.00 0.00 C ATOM 865 ND1 HIS A 64 -11.277 -6.681 10.289 1.00 0.00 N ATOM 866 CD2 HIS A 64 -10.805 -8.408 9.009 1.00 0.00 C ATOM 867 CE1 HIS A 64 -11.240 -7.763 11.054 1.00 0.00 C ATOM 868 NE2 HIS A 64 -10.946 -8.832 10.259 1.00 0.00 N ATOM 0 H HIS A 64 -10.821 -4.781 5.688 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.881 -7.376 6.576 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.168 -5.354 8.022 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.901 -5.517 7.823 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.572 -9.027 8.155 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.412 -7.793 12.120 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.850 -9.798 10.573 1.00 0.00 H new ATOM 875 N ASN A 65 -12.983 -6.914 5.590 1.00 0.00 N ATOM 876 CA ASN A 65 -14.177 -7.606 5.139 1.00 0.00 C ATOM 877 C ASN A 65 -14.362 -7.369 3.638 1.00 0.00 C ATOM 878 O ASN A 65 -14.342 -8.313 2.850 1.00 0.00 O ATOM 879 CB ASN A 65 -15.423 -7.082 5.857 1.00 0.00 C ATOM 880 CG ASN A 65 -16.167 -8.217 6.563 1.00 0.00 C ATOM 881 OD1 ASN A 65 -16.201 -8.310 7.779 1.00 0.00 O ATOM 882 ND2 ASN A 65 -16.758 -9.073 5.734 1.00 0.00 N ATOM 0 H ASN A 65 -13.033 -5.897 5.537 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.054 -8.667 5.358 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.136 -6.323 6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.086 -6.600 5.138 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.279 -9.866 6.107 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.690 -8.936 4.726 1.00 0.00 H new ATOM 888 N VAL A 66 -14.539 -6.103 3.289 1.00 0.00 N ATOM 889 CA VAL A 66 -14.727 -5.730 1.897 1.00 0.00 C ATOM 890 C VAL A 66 -13.381 -5.320 1.297 1.00 0.00 C ATOM 891 O VAL A 66 -12.332 -5.776 1.749 1.00 0.00 O ATOM 892 CB VAL A 66 -15.789 -4.633 1.789 1.00 0.00 C ATOM 893 CG1 VAL A 66 -16.512 -4.702 0.441 1.00 0.00 C ATOM 894 CG2 VAL A 66 -16.783 -4.716 2.949 1.00 0.00 C ATOM 0 H VAL A 66 -14.556 -5.323 3.946 1.00 0.00 H new ATOM 0 HA VAL A 66 -15.095 -6.579 1.320 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.283 -3.669 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -17.261 -3.912 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -15.791 -4.571 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.999 -5.672 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -17.527 -3.926 2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.280 -5.686 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.251 -4.596 3.893 1.00 0.00 H new ATOM 904 N ASP A 67 -13.456 -4.465 0.288 1.00 0.00 N ATOM 905 CA ASP A 67 -12.256 -3.989 -0.379 1.00 0.00 C ATOM 906 C ASP A 67 -12.356 -2.475 -0.579 1.00 0.00 C ATOM 907 O ASP A 67 -13.405 -1.965 -0.969 1.00 0.00 O ATOM 908 CB ASP A 67 -12.095 -4.638 -1.755 1.00 0.00 C ATOM 909 CG ASP A 67 -13.051 -4.118 -2.831 1.00 0.00 C ATOM 910 OD1 ASP A 67 -12.886 -3.002 -3.347 1.00 0.00 O ATOM 911 OD2 ASP A 67 -14.011 -4.921 -3.141 1.00 0.00 O ATOM 0 H ASP A 67 -14.328 -4.090 -0.084 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.399 -4.248 0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.071 -4.484 -2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.238 -5.714 -1.652 1.00 0.00 H new ATOM 916 N GLU A 68 -11.249 -1.800 -0.305 1.00 0.00 N ATOM 917 CA GLU A 68 -11.200 -0.355 -0.451 1.00 0.00 C ATOM 918 C GLU A 68 -9.824 0.080 -0.961 1.00 0.00 C ATOM 919 O GLU A 68 -8.803 -0.461 -0.540 1.00 0.00 O ATOM 920 CB GLU A 68 -11.540 0.341 0.868 1.00 0.00 C ATOM 921 CG GLU A 68 -12.871 1.090 0.765 1.00 0.00 C ATOM 922 CD GLU A 68 -12.818 2.410 1.536 1.00 0.00 C ATOM 923 OE1 GLU A 68 -13.629 2.628 2.449 1.00 0.00 O ATOM 924 OE2 GLU A 68 -11.893 3.226 1.159 1.00 0.00 O ATOM 0 H GLU A 68 -10.380 -2.226 0.017 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.949 -0.058 -1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.594 -0.396 1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.745 1.039 1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.102 1.285 -0.282 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.674 0.467 1.158 1.00 0.00 H new ATOM 930 N LEU A 69 -9.842 1.053 -1.859 1.00 0.00 N ATOM 931 CA LEU A 69 -8.608 1.567 -2.431 1.00 0.00 C ATOM 932 C LEU A 69 -8.658 3.096 -2.449 1.00 0.00 C ATOM 933 O LEU A 69 -9.633 3.684 -2.914 1.00 0.00 O ATOM 934 CB LEU A 69 -8.355 0.944 -3.806 1.00 0.00 C ATOM 935 CG LEU A 69 -8.398 1.905 -4.996 1.00 0.00 C ATOM 936 CD1 LEU A 69 -7.306 2.970 -4.880 1.00 0.00 C ATOM 937 CD2 LEU A 69 -8.317 1.142 -6.320 1.00 0.00 C ATOM 0 H LEU A 69 -10.691 1.500 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.755 1.282 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.378 0.461 -3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.095 0.161 -3.970 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.356 2.424 -4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.359 3.640 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.451 3.542 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.329 2.488 -4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.350 1.848 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.384 0.579 -6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.159 0.454 -6.396 1.00 0.00 H new ATOM 948 N HIS A 70 -7.593 3.696 -1.937 1.00 0.00 N ATOM 949 CA HIS A 70 -7.503 5.145 -1.888 1.00 0.00 C ATOM 950 C HIS A 70 -6.056 5.578 -2.133 1.00 0.00 C ATOM 951 O HIS A 70 -5.123 4.945 -1.640 1.00 0.00 O ATOM 952 CB HIS A 70 -8.066 5.680 -0.570 1.00 0.00 C ATOM 953 CG HIS A 70 -9.548 5.968 -0.607 1.00 0.00 C ATOM 954 ND1 HIS A 70 -10.480 5.184 0.051 1.00 0.00 N ATOM 955 CD2 HIS A 70 -10.249 6.960 -1.228 1.00 0.00 C ATOM 956 CE1 HIS A 70 -11.684 5.690 -0.172 1.00 0.00 C ATOM 957 NE2 HIS A 70 -11.539 6.790 -0.966 1.00 0.00 N ATOM 0 H HIS A 70 -6.786 3.205 -1.553 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.115 5.578 -2.680 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.867 4.955 0.219 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.535 6.594 -0.304 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.275 4.357 0.612 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.826 7.750 -1.831 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.617 5.300 0.208 1.00 0.00 H new ATOM 964 N ILE A 71 -5.914 6.651 -2.896 1.00 0.00 N ATOM 965 CA ILE A 71 -4.597 7.176 -3.213 1.00 0.00 C ATOM 966 C ILE A 71 -4.604 8.697 -3.046 1.00 0.00 C ATOM 967 O ILE A 71 -5.483 9.378 -3.570 1.00 0.00 O ATOM 968 CB ILE A 71 -4.156 6.713 -4.603 1.00 0.00 C ATOM 969 CG1 ILE A 71 -2.980 7.549 -5.112 1.00 0.00 C ATOM 970 CG2 ILE A 71 -5.331 6.721 -5.583 1.00 0.00 C ATOM 971 CD1 ILE A 71 -3.445 8.937 -5.556 1.00 0.00 C ATOM 0 H ILE A 71 -6.690 7.172 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.854 6.782 -2.520 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.809 5.683 -4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.232 7.647 -4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.500 7.038 -5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.990 6.388 -6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.110 6.049 -5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.731 7.732 -5.663 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.590 9.510 -5.913 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.175 8.836 -6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.902 9.455 -4.713 1.00 0.00 H new ATOM 982 N ASP A 72 -3.614 9.184 -2.311 1.00 0.00 N ATOM 983 CA ASP A 72 -3.495 10.611 -2.069 1.00 0.00 C ATOM 984 C ASP A 72 -2.015 10.995 -2.018 1.00 0.00 C ATOM 985 O ASP A 72 -1.200 10.265 -1.455 1.00 0.00 O ATOM 986 CB ASP A 72 -4.129 10.997 -0.730 1.00 0.00 C ATOM 987 CG ASP A 72 -4.961 12.281 -0.753 1.00 0.00 C ATOM 988 OD1 ASP A 72 -4.609 13.281 -0.112 1.00 0.00 O ATOM 989 OD2 ASP A 72 -6.026 12.226 -1.478 1.00 0.00 O ATOM 0 H ASP A 72 -2.888 8.615 -1.876 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.008 11.133 -2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.764 10.177 -0.396 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.337 11.109 0.011 1.00 0.00 H new ATOM 994 N GLY A 73 -1.712 12.139 -2.615 1.00 0.00 N ATOM 995 CA GLY A 73 -0.344 12.627 -2.645 1.00 0.00 C ATOM 996 C GLY A 73 -0.286 14.118 -2.308 1.00 0.00 C ATOM 997 O GLY A 73 -1.026 14.917 -2.882 1.00 0.00 O ATOM 0 H GLY A 73 -2.390 12.741 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.262 12.066 -1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.085 12.457 -3.632 1.00 0.00 H new ATOM 1001 N ASN A 74 0.598 14.449 -1.379 1.00 0.00 N ATOM 1002 CA ASN A 74 0.762 15.830 -0.958 1.00 0.00 C ATOM 1003 C ASN A 74 2.235 16.090 -0.639 1.00 0.00 C ATOM 1004 O ASN A 74 2.898 15.253 -0.029 1.00 0.00 O ATOM 1005 CB ASN A 74 -0.055 16.122 0.302 1.00 0.00 C ATOM 1006 CG ASN A 74 -0.691 14.844 0.852 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -1.431 14.147 0.176 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -0.363 14.574 2.112 1.00 0.00 N ATOM 0 H ASN A 74 1.209 13.784 -0.905 1.00 0.00 H new ATOM 0 HA ASN A 74 0.417 16.473 -1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.588 16.568 1.061 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.833 16.851 0.074 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.736 13.742 2.569 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.262 15.199 2.622 1.00 0.00 H new ATOM 1014 N TYR A 75 2.703 17.253 -1.065 1.00 0.00 N ATOM 1015 CA TYR A 75 4.086 17.635 -0.831 1.00 0.00 C ATOM 1016 C TYR A 75 4.340 17.893 0.656 1.00 0.00 C ATOM 1017 O TYR A 75 5.479 18.107 1.066 1.00 0.00 O ATOM 1018 CB TYR A 75 4.301 18.936 -1.606 1.00 0.00 C ATOM 1019 CG TYR A 75 5.767 19.362 -1.712 1.00 0.00 C ATOM 1020 CD1 TYR A 75 6.632 18.662 -2.527 1.00 0.00 C ATOM 1021 CD2 TYR A 75 6.224 20.447 -0.991 1.00 0.00 C ATOM 1022 CE1 TYR A 75 8.012 19.063 -2.627 1.00 0.00 C ATOM 1023 CE2 TYR A 75 7.603 20.848 -1.090 1.00 0.00 C ATOM 1024 CZ TYR A 75 8.429 20.136 -1.903 1.00 0.00 C ATOM 1025 OH TYR A 75 9.731 20.515 -1.997 1.00 0.00 O ATOM 0 H TYR A 75 2.150 17.944 -1.571 1.00 0.00 H new ATOM 0 HA TYR A 75 4.762 16.842 -1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.893 18.820 -2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.736 19.733 -1.122 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.275 17.813 -3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.547 20.995 -0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.699 18.524 -3.262 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.973 21.695 -0.531 1.00 0.00 H new ATOM 0 HH TYR A 75 9.886 21.296 -1.426 1.00 0.00 H new ATOM 1034 N GLN A 76 3.260 17.863 1.421 1.00 0.00 N ATOM 1035 CA GLN A 76 3.351 18.090 2.854 1.00 0.00 C ATOM 1036 C GLN A 76 3.333 16.758 3.605 1.00 0.00 C ATOM 1037 O GLN A 76 3.678 16.701 4.785 1.00 0.00 O ATOM 1038 CB GLN A 76 2.225 19.007 3.336 1.00 0.00 C ATOM 1039 CG GLN A 76 2.705 20.455 3.441 1.00 0.00 C ATOM 1040 CD GLN A 76 1.521 21.423 3.488 1.00 0.00 C ATOM 1041 OE1 GLN A 76 1.004 21.863 2.474 1.00 0.00 O ATOM 1042 NE2 GLN A 76 1.123 21.730 4.720 1.00 0.00 N ATOM 0 H GLN A 76 2.317 17.685 1.076 1.00 0.00 H new ATOM 0 HA GLN A 76 4.297 18.589 3.064 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.383 18.948 2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.866 18.668 4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.314 20.576 4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.341 20.694 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.600 21.326 5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.341 22.369 4.859 1.00 0.00 H new ATOM 1049 N LEU A 77 2.927 15.718 2.892 1.00 0.00 N ATOM 1050 CA LEU A 77 2.859 14.389 3.477 1.00 0.00 C ATOM 1051 C LEU A 77 4.137 14.123 4.276 1.00 0.00 C ATOM 1052 O LEU A 77 4.083 13.920 5.488 1.00 0.00 O ATOM 1053 CB LEU A 77 2.580 13.341 2.396 1.00 0.00 C ATOM 1054 CG LEU A 77 2.116 11.972 2.894 1.00 0.00 C ATOM 1055 CD1 LEU A 77 1.082 11.365 1.944 1.00 0.00 C ATOM 1056 CD2 LEU A 77 3.307 11.038 3.119 1.00 0.00 C ATOM 0 H LEU A 77 2.642 15.768 1.914 1.00 0.00 H new ATOM 0 HA LEU A 77 2.025 14.322 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.821 13.737 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.488 13.203 1.808 1.00 0.00 H new ATOM 0 HG LEU A 77 1.626 12.107 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.769 10.392 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.217 12.025 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.523 11.246 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.949 10.071 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.847 10.904 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.975 11.472 3.863 1.00 0.00 H new ATOM 1067 N GLY A 78 5.254 14.133 3.565 1.00 0.00 N ATOM 1068 CA GLY A 78 6.543 13.896 4.194 1.00 0.00 C ATOM 1069 C GLY A 78 7.514 13.229 3.217 1.00 0.00 C ATOM 1070 O GLY A 78 8.355 12.428 3.623 1.00 0.00 O ATOM 0 H GLY A 78 5.294 14.301 2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.962 14.841 4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.413 13.263 5.072 1.00 0.00 H new ATOM 1074 N ARG A 79 7.366 13.583 1.950 1.00 0.00 N ATOM 1075 CA ARG A 79 8.219 13.030 0.913 1.00 0.00 C ATOM 1076 C ARG A 79 8.304 11.509 1.051 1.00 0.00 C ATOM 1077 O ARG A 79 9.397 10.946 1.105 1.00 0.00 O ATOM 1078 CB ARG A 79 9.629 13.621 0.986 1.00 0.00 C ATOM 1079 CG ARG A 79 9.838 14.676 -0.103 1.00 0.00 C ATOM 1080 CD ARG A 79 10.636 15.866 0.432 1.00 0.00 C ATOM 1081 NE ARG A 79 11.355 16.534 -0.676 1.00 0.00 N ATOM 1082 CZ ARG A 79 12.436 17.324 -0.509 1.00 0.00 C ATOM 1083 NH1 ARG A 79 12.935 17.552 0.725 1.00 0.00 N ATOM 1084 NH2 ARG A 79 13.000 17.869 -1.570 1.00 0.00 N ATOM 0 H ARG A 79 6.667 14.247 1.617 1.00 0.00 H new ATOM 0 HA ARG A 79 7.779 13.287 -0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.789 14.069 1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.367 12.826 0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.363 14.232 -0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.871 15.018 -0.473 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.966 16.574 0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.347 15.528 1.186 1.00 0.00 H new ATOM 0 HE ARG A 79 11.012 16.388 -1.625 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.494 17.126 1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.753 18.151 0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.618 17.691 -2.499 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.818 18.469 -1.461 1.00 0.00 H new ATOM 1094 N ASN A 80 7.137 10.886 1.106 1.00 0.00 N ATOM 1095 CA ASN A 80 7.065 9.441 1.237 1.00 0.00 C ATOM 1096 C ASN A 80 6.427 8.849 -0.022 1.00 0.00 C ATOM 1097 O ASN A 80 5.284 9.163 -0.349 1.00 0.00 O ATOM 1098 CB ASN A 80 6.204 9.038 2.436 1.00 0.00 C ATOM 1099 CG ASN A 80 7.012 9.095 3.735 1.00 0.00 C ATOM 1100 OD1 ASN A 80 7.729 10.043 4.009 1.00 0.00 O ATOM 1101 ND2 ASN A 80 6.856 8.030 4.515 1.00 0.00 N ATOM 0 H ASN A 80 6.233 11.356 1.062 1.00 0.00 H new ATOM 0 HA ASN A 80 8.079 9.066 1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.343 9.702 2.510 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.817 8.030 2.288 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.353 7.972 5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.240 7.271 4.225 1.00 0.00 H new ATOM 1107 N VAL A 81 7.195 8.003 -0.694 1.00 0.00 N ATOM 1108 CA VAL A 81 6.719 7.365 -1.910 1.00 0.00 C ATOM 1109 C VAL A 81 6.665 5.851 -1.699 1.00 0.00 C ATOM 1110 O VAL A 81 7.702 5.201 -1.570 1.00 0.00 O ATOM 1111 CB VAL A 81 7.599 7.773 -3.094 1.00 0.00 C ATOM 1112 CG1 VAL A 81 7.615 9.293 -3.266 1.00 0.00 C ATOM 1113 CG2 VAL A 81 9.018 7.223 -2.937 1.00 0.00 C ATOM 0 H VAL A 81 8.143 7.745 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 81 5.707 7.697 -2.145 1.00 0.00 H new ATOM 0 HB VAL A 81 7.170 7.338 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.247 9.557 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.601 9.650 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.008 9.757 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.623 7.527 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.461 7.615 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.983 6.135 -2.886 1.00 0.00 H new ATOM 1123 N LEU A 82 5.447 5.333 -1.669 1.00 0.00 N ATOM 1124 CA LEU A 82 5.245 3.906 -1.476 1.00 0.00 C ATOM 1125 C LEU A 82 4.432 3.347 -2.646 1.00 0.00 C ATOM 1126 O LEU A 82 3.299 3.766 -2.876 1.00 0.00 O ATOM 1127 CB LEU A 82 4.619 3.635 -0.107 1.00 0.00 C ATOM 1128 CG LEU A 82 4.793 4.736 0.940 1.00 0.00 C ATOM 1129 CD1 LEU A 82 3.720 4.635 2.026 1.00 0.00 C ATOM 1130 CD2 LEU A 82 6.206 4.715 1.528 1.00 0.00 C ATOM 0 H LEU A 82 4.589 5.875 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 82 6.201 3.382 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.552 3.459 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.046 2.714 0.289 1.00 0.00 H new ATOM 0 HG LEU A 82 4.663 5.699 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.867 5.429 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.734 4.736 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.794 3.667 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.303 5.508 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.389 3.750 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.934 4.872 0.732 1.00 0.00 H new ATOM 1141 N LEU A 83 5.043 2.409 -3.355 1.00 0.00 N ATOM 1142 CA LEU A 83 4.391 1.790 -4.496 1.00 0.00 C ATOM 1143 C LEU A 83 4.161 0.306 -4.200 1.00 0.00 C ATOM 1144 O LEU A 83 5.109 -0.474 -4.139 1.00 0.00 O ATOM 1145 CB LEU A 83 5.191 2.045 -5.775 1.00 0.00 C ATOM 1146 CG LEU A 83 4.466 1.748 -7.089 1.00 0.00 C ATOM 1147 CD1 LEU A 83 4.694 2.870 -8.106 1.00 0.00 C ATOM 1148 CD2 LEU A 83 4.873 0.381 -7.644 1.00 0.00 C ATOM 0 H LEU A 83 5.983 2.063 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 83 3.412 2.239 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.503 3.089 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.098 1.442 -5.739 1.00 0.00 H new ATOM 0 HG LEU A 83 3.396 1.708 -6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.168 2.635 -9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.316 3.809 -7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.761 2.966 -8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.343 0.195 -8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.947 0.368 -7.828 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.619 -0.395 -6.922 1.00 0.00 H new ATOM 1159 N LYS A 84 2.893 -0.039 -4.027 1.00 0.00 N ATOM 1160 CA LYS A 84 2.525 -1.416 -3.739 1.00 0.00 C ATOM 1161 C LYS A 84 1.512 -1.896 -4.780 1.00 0.00 C ATOM 1162 O LYS A 84 0.431 -1.324 -4.910 1.00 0.00 O ATOM 1163 CB LYS A 84 2.034 -1.550 -2.296 1.00 0.00 C ATOM 1164 CG LYS A 84 2.649 -2.776 -1.619 1.00 0.00 C ATOM 1165 CD LYS A 84 1.645 -3.444 -0.678 1.00 0.00 C ATOM 1166 CE LYS A 84 0.760 -2.401 0.009 1.00 0.00 C ATOM 1167 NZ LYS A 84 -0.549 -2.302 -0.674 1.00 0.00 N ATOM 0 H LYS A 84 2.108 0.610 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 84 3.396 -2.067 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.293 -0.652 -1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.947 -1.631 -2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.973 -3.490 -2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.536 -2.480 -1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.023 -4.141 -1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.178 -4.026 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.612 -2.673 1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.256 -1.431 -0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.301 -2.181 0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.544 -1.485 -1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.723 -3.171 -1.219 1.00 0.00 H new ATOM 1176 N ASN A 85 1.898 -2.943 -5.496 1.00 0.00 N ATOM 1177 CA ASN A 85 1.037 -3.506 -6.522 1.00 0.00 C ATOM 1178 C ASN A 85 0.631 -4.924 -6.117 1.00 0.00 C ATOM 1179 O ASN A 85 1.475 -5.816 -6.034 1.00 0.00 O ATOM 1180 CB ASN A 85 1.763 -3.586 -7.866 1.00 0.00 C ATOM 1181 CG ASN A 85 1.210 -2.554 -8.851 1.00 0.00 C ATOM 1182 OD1 ASN A 85 1.938 -1.797 -9.471 1.00 0.00 O ATOM 1183 ND2 ASN A 85 -0.116 -2.565 -8.958 1.00 0.00 N ATOM 0 H ASN A 85 2.795 -3.416 -5.385 1.00 0.00 H new ATOM 0 HA ASN A 85 0.164 -2.861 -6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.830 -3.417 -7.718 1.00 0.00 H new ATOM 0 HB3 ASN A 85 1.654 -4.587 -8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.582 -1.913 -9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -0.666 -3.226 -8.409 1.00 0.00 H new ATOM 1189 N GLY A 86 -0.661 -5.090 -5.878 1.00 0.00 N ATOM 1190 CA GLY A 86 -1.189 -6.385 -5.483 1.00 0.00 C ATOM 1191 C GLY A 86 -2.136 -6.939 -6.551 1.00 0.00 C ATOM 1192 O GLY A 86 -3.150 -6.318 -6.868 1.00 0.00 O ATOM 0 H GLY A 86 -1.358 -4.349 -5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.368 -7.083 -5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.719 -6.292 -4.535 1.00 0.00 H new ATOM 1196 N GLU A 87 -1.772 -8.100 -7.074 1.00 0.00 N ATOM 1197 CA GLU A 87 -2.577 -8.744 -8.099 1.00 0.00 C ATOM 1198 C GLU A 87 -3.084 -10.098 -7.602 1.00 0.00 C ATOM 1199 O GLU A 87 -2.292 -10.991 -7.304 1.00 0.00 O ATOM 1200 CB GLU A 87 -1.788 -8.896 -9.400 1.00 0.00 C ATOM 1201 CG GLU A 87 -0.408 -9.505 -9.136 1.00 0.00 C ATOM 1202 CD GLU A 87 0.644 -8.411 -8.944 1.00 0.00 C ATOM 1203 OE1 GLU A 87 1.328 -8.383 -7.910 1.00 0.00 O ATOM 1204 OE2 GLU A 87 0.741 -7.569 -9.917 1.00 0.00 O ATOM 0 H GLU A 87 -0.931 -8.612 -6.808 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.439 -8.111 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.342 -9.528 -10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.675 -7.922 -9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.448 -10.136 -8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.123 -10.146 -9.970 1.00 0.00 H new ATOM 1210 N ASP A 88 -4.402 -10.211 -7.528 1.00 0.00 N ATOM 1211 CA ASP A 88 -5.024 -11.442 -7.073 1.00 0.00 C ATOM 1212 C ASP A 88 -6.360 -11.631 -7.794 1.00 0.00 C ATOM 1213 O ASP A 88 -7.084 -10.665 -8.032 1.00 0.00 O ATOM 1214 CB ASP A 88 -5.302 -11.395 -5.569 1.00 0.00 C ATOM 1215 CG ASP A 88 -5.706 -12.732 -4.943 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -4.923 -13.693 -4.931 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -6.897 -12.764 -4.449 1.00 0.00 O ATOM 0 H ASP A 88 -5.057 -9.469 -7.776 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.342 -12.264 -7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.410 -11.028 -5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.095 -10.670 -5.384 1.00 0.00 H new ATOM 1222 N ARG A 89 -6.647 -12.882 -8.124 1.00 0.00 N ATOM 1223 CA ARG A 89 -7.882 -13.210 -8.814 1.00 0.00 C ATOM 1224 C ARG A 89 -8.261 -14.670 -8.558 1.00 0.00 C ATOM 1225 O ARG A 89 -7.399 -15.498 -8.268 1.00 0.00 O ATOM 1226 CB ARG A 89 -7.749 -12.981 -10.321 1.00 0.00 C ATOM 1227 CG ARG A 89 -9.083 -12.544 -10.929 1.00 0.00 C ATOM 1228 CD ARG A 89 -9.453 -11.130 -10.476 1.00 0.00 C ATOM 1229 NE ARG A 89 -8.381 -10.182 -10.849 1.00 0.00 N ATOM 1230 CZ ARG A 89 -8.137 -9.022 -10.201 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -8.889 -8.658 -9.141 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -7.151 -8.250 -10.620 1.00 0.00 N ATOM 0 H ARG A 89 -6.044 -13.681 -7.926 1.00 0.00 H new ATOM 0 HA ARG A 89 -8.662 -12.555 -8.426 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.992 -12.220 -10.511 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.408 -13.897 -10.803 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.019 -12.577 -12.017 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.867 -13.241 -10.634 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.394 -10.827 -10.935 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.605 -11.113 -9.397 1.00 0.00 H new ATOM 0 HE ARG A 89 -7.789 -10.419 -11.645 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.648 -9.260 -8.823 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -8.698 -7.780 -8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.587 -8.533 -11.422 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -6.953 -7.371 -10.142 1.00 0.00 H new ATOM 1242 N LEU A 90 -9.553 -14.942 -8.675 1.00 0.00 N ATOM 1243 CA LEU A 90 -10.057 -16.288 -8.459 1.00 0.00 C ATOM 1244 C LEU A 90 -11.369 -16.465 -9.226 1.00 0.00 C ATOM 1245 O LEU A 90 -11.947 -15.492 -9.707 1.00 0.00 O ATOM 1246 CB LEU A 90 -10.175 -16.583 -6.963 1.00 0.00 C ATOM 1247 CG LEU A 90 -9.116 -17.521 -6.379 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -9.072 -17.416 -4.854 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -9.340 -18.960 -6.848 1.00 0.00 C ATOM 0 H LEU A 90 -10.266 -14.253 -8.917 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.356 -17.025 -8.851 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.133 -15.638 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.158 -17.015 -6.774 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.140 -17.209 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.311 -18.093 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.829 -16.393 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -10.044 -17.687 -4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.574 -19.606 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.324 -19.299 -6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.282 -19.001 -7.936 1.00 0.00 H new ATOM 1260 N ARG A 91 -11.800 -17.714 -9.317 1.00 0.00 N ATOM 1261 CA ARG A 91 -13.033 -18.031 -10.017 1.00 0.00 C ATOM 1262 C ARG A 91 -14.178 -17.159 -9.498 1.00 0.00 C ATOM 1263 O ARG A 91 -15.119 -16.861 -10.233 1.00 0.00 O ATOM 1264 CB ARG A 91 -13.404 -19.506 -9.840 1.00 0.00 C ATOM 1265 CG ARG A 91 -12.904 -20.342 -11.020 1.00 0.00 C ATOM 1266 CD ARG A 91 -12.049 -21.515 -10.537 1.00 0.00 C ATOM 1267 NE ARG A 91 -10.643 -21.084 -10.375 1.00 0.00 N ATOM 1268 CZ ARG A 91 -9.719 -21.128 -11.358 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -10.045 -21.588 -12.585 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -8.491 -20.717 -11.102 1.00 0.00 N ATOM 0 H ARG A 91 -11.317 -18.519 -8.918 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.872 -17.833 -11.077 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.973 -19.884 -8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -14.486 -19.605 -9.752 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.754 -20.717 -11.590 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.320 -19.715 -11.693 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.434 -21.890 -9.589 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.106 -22.336 -11.252 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.354 -20.731 -9.463 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.996 -21.906 -12.775 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.341 -21.618 -13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.252 -20.373 -10.172 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.781 -20.744 -11.834 1.00 0.00 H new ATOM 1280 N PHE A 92 -14.061 -16.776 -8.235 1.00 0.00 N ATOM 1281 CA PHE A 92 -15.074 -15.943 -7.609 1.00 0.00 C ATOM 1282 C PHE A 92 -15.265 -14.636 -8.382 1.00 0.00 C ATOM 1283 O PHE A 92 -16.350 -14.057 -8.372 1.00 0.00 O ATOM 1284 CB PHE A 92 -14.579 -15.620 -6.199 1.00 0.00 C ATOM 1285 CG PHE A 92 -15.260 -16.437 -5.098 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -16.595 -16.685 -5.162 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -14.528 -16.914 -4.055 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -17.226 -17.443 -4.141 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -15.160 -17.673 -3.034 1.00 0.00 C ATOM 1290 CZ PHE A 92 -16.496 -17.921 -3.098 1.00 0.00 C ATOM 0 H PHE A 92 -13.280 -17.027 -7.628 1.00 0.00 H new ATOM 0 HA PHE A 92 -16.029 -16.468 -7.595 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -13.504 -15.794 -6.154 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -14.739 -14.560 -6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -17.176 -16.305 -5.990 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -13.468 -16.716 -4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -18.287 -17.640 -4.193 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -14.579 -18.053 -2.207 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.977 -18.497 -2.321 1.00 0.00 H new ATOM 1299 N TYR A 93 -14.193 -14.210 -9.033 1.00 0.00 N ATOM 1300 CA TYR A 93 -14.228 -12.982 -9.809 1.00 0.00 C ATOM 1301 C TYR A 93 -14.642 -13.259 -11.256 1.00 0.00 C ATOM 1302 O TYR A 93 -14.271 -14.284 -11.826 1.00 0.00 O ATOM 1303 CB TYR A 93 -12.800 -12.434 -9.797 1.00 0.00 C ATOM 1304 CG TYR A 93 -12.583 -11.286 -8.809 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -12.320 -11.557 -7.482 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -12.648 -9.979 -9.246 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -12.115 -10.477 -6.553 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -12.444 -8.897 -8.317 1.00 0.00 C ATOM 1309 CZ TYR A 93 -12.187 -9.200 -7.016 1.00 0.00 C ATOM 1310 OH TYR A 93 -11.994 -8.179 -6.138 1.00 0.00 O ATOM 0 H TYR A 93 -13.295 -14.693 -9.039 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.948 -12.282 -9.386 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.113 -13.244 -9.554 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.545 -12.090 -10.799 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.268 -12.580 -7.140 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.852 -9.767 -10.285 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.909 -10.676 -5.512 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.494 -7.869 -8.646 1.00 0.00 H new ATOM 0 HH TYR A 93 -12.073 -7.323 -6.609 1.00 0.00 H new ATOM 1319 N VAL A 94 -15.407 -12.329 -11.808 1.00 0.00 N ATOM 1320 CA VAL A 94 -15.876 -12.460 -13.177 1.00 0.00 C ATOM 1321 C VAL A 94 -15.185 -11.412 -14.051 1.00 0.00 C ATOM 1322 O VAL A 94 -15.060 -11.592 -15.262 1.00 0.00 O ATOM 1323 CB VAL A 94 -17.403 -12.362 -13.219 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -18.046 -13.485 -12.403 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -17.878 -10.991 -12.734 1.00 0.00 C ATOM 0 H VAL A 94 -15.714 -11.481 -11.332 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.616 -13.440 -13.578 1.00 0.00 H new ATOM 0 HB VAL A 94 -17.718 -12.478 -14.256 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -19.131 -13.393 -12.449 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.746 -14.450 -12.812 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -17.719 -13.414 -11.365 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.966 -10.948 -12.774 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -17.546 -10.833 -11.708 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -17.460 -10.214 -13.374 1.00 0.00 H new ATOM 1335 N LYS A 95 -14.756 -10.338 -13.403 1.00 0.00 N ATOM 1336 CA LYS A 95 -14.080 -9.261 -14.107 1.00 0.00 C ATOM 1337 C LYS A 95 -12.645 -9.684 -14.422 1.00 0.00 C ATOM 1338 O LYS A 95 -12.038 -9.177 -15.366 1.00 0.00 O ATOM 1339 CB LYS A 95 -14.177 -7.958 -13.310 1.00 0.00 C ATOM 1340 CG LYS A 95 -15.528 -7.276 -13.534 1.00 0.00 C ATOM 1341 CD LYS A 95 -15.455 -6.286 -14.699 1.00 0.00 C ATOM 1342 CE LYS A 95 -16.561 -6.560 -15.721 1.00 0.00 C ATOM 1343 NZ LYS A 95 -16.045 -6.399 -17.099 1.00 0.00 N ATOM 0 H LYS A 95 -14.863 -10.191 -12.399 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.569 -9.063 -15.061 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -14.043 -8.166 -12.249 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -13.373 -7.285 -13.607 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.290 -8.028 -13.738 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.831 -6.754 -12.626 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.547 -5.268 -14.322 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.481 -6.359 -15.183 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.946 -7.571 -15.586 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -17.394 -5.877 -15.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.808 -6.588 -17.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.699 -5.427 -17.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.265 -7.068 -17.258 1.00 0.00 H new ATOM 1352 N PHE A 96 -12.143 -10.608 -13.616 1.00 0.00 N ATOM 1353 CA PHE A 96 -10.790 -11.104 -13.798 1.00 0.00 C ATOM 1354 C PHE A 96 -9.864 -9.998 -14.310 1.00 0.00 C ATOM 1355 O PHE A 96 -9.573 -9.931 -15.503 1.00 0.00 O ATOM 1356 CB PHE A 96 -10.859 -12.219 -14.843 1.00 0.00 C ATOM 1357 CG PHE A 96 -11.038 -11.718 -16.277 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -12.254 -11.281 -16.699 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -9.978 -11.709 -17.131 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -12.419 -10.815 -18.031 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -10.144 -11.243 -18.462 1.00 0.00 C ATOM 1362 CZ PHE A 96 -11.360 -10.806 -18.884 1.00 0.00 C ATOM 0 H PHE A 96 -12.649 -11.026 -12.835 1.00 0.00 H new ATOM 0 HA PHE A 96 -10.394 -11.461 -12.847 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -9.946 -12.812 -14.788 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -11.686 -12.884 -14.596 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -13.095 -11.288 -16.022 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -9.012 -12.056 -16.796 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -13.385 -10.468 -18.366 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -9.303 -11.236 -19.140 1.00 0.00 H new ATOM 0 HZ PHE A 96 -11.485 -10.452 -19.897 1.00 0.00 H new ATOM 1371 N GLY A 97 -9.427 -9.160 -13.382 1.00 0.00 N ATOM 1372 CA GLY A 97 -8.540 -8.062 -13.724 1.00 0.00 C ATOM 1373 C GLY A 97 -7.074 -8.480 -13.598 1.00 0.00 C ATOM 1374 O GLY A 97 -6.754 -9.424 -12.877 1.00 0.00 O ATOM 0 H GLY A 97 -9.671 -9.219 -12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -8.741 -7.732 -14.743 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.737 -7.213 -13.069 1.00 0.00 H new ATOM 1378 N PRO A 98 -6.199 -7.739 -14.329 1.00 0.00 N ATOM 1379 CA PRO A 98 -4.775 -8.024 -14.307 1.00 0.00 C ATOM 1380 C PRO A 98 -4.141 -7.545 -12.999 1.00 0.00 C ATOM 1381 O PRO A 98 -2.968 -7.812 -12.739 1.00 0.00 O ATOM 1382 CB PRO A 98 -4.213 -7.320 -15.531 1.00 0.00 C ATOM 1383 CG PRO A 98 -5.255 -6.289 -15.933 1.00 0.00 C ATOM 1384 CD PRO A 98 -6.542 -6.613 -15.193 1.00 0.00 C ATOM 0 HA PRO A 98 -4.559 -9.092 -14.344 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -3.259 -6.844 -15.304 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -4.031 -8.028 -16.340 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -4.914 -5.284 -15.683 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -5.418 -6.312 -17.010 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -6.890 -5.759 -14.612 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -7.342 -6.875 -15.886 1.00 0.00 H new ATOM 1389 N GLY A 99 -4.944 -6.848 -12.210 1.00 0.00 N ATOM 1390 CA GLY A 99 -4.476 -6.330 -10.935 1.00 0.00 C ATOM 1391 C GLY A 99 -3.199 -5.506 -11.114 1.00 0.00 C ATOM 1392 O GLY A 99 -2.118 -5.936 -10.715 1.00 0.00 O ATOM 0 H GLY A 99 -5.916 -6.629 -12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.252 -5.712 -10.483 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.287 -7.156 -10.250 1.00 0.00 H new ATOM 1396 N ALA A 100 -3.367 -4.336 -11.713 1.00 0.00 N ATOM 1397 CA ALA A 100 -2.241 -3.449 -11.949 1.00 0.00 C ATOM 1398 C ALA A 100 -2.527 -2.088 -11.311 1.00 0.00 C ATOM 1399 O ALA A 100 -3.650 -1.823 -10.884 1.00 0.00 O ATOM 1400 CB ALA A 100 -1.980 -3.343 -13.453 1.00 0.00 C ATOM 0 H ALA A 100 -4.265 -3.982 -12.042 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.337 -3.847 -11.488 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.135 -2.677 -13.630 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.753 -4.331 -13.853 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -2.865 -2.945 -13.949 1.00 0.00 H new ATOM 1406 N VAL A 101 -1.492 -1.262 -11.264 1.00 0.00 N ATOM 1407 CA VAL A 101 -1.618 0.064 -10.685 1.00 0.00 C ATOM 1408 C VAL A 101 -2.902 0.720 -11.198 1.00 0.00 C ATOM 1409 O VAL A 101 -3.560 1.460 -10.469 1.00 0.00 O ATOM 1410 CB VAL A 101 -0.364 0.888 -10.984 1.00 0.00 C ATOM 1411 CG1 VAL A 101 0.715 0.647 -9.927 1.00 0.00 C ATOM 1412 CG2 VAL A 101 0.166 0.587 -12.388 1.00 0.00 C ATOM 0 H VAL A 101 -0.562 -1.486 -11.618 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.697 0.001 -9.600 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.638 1.942 -10.948 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.596 1.244 -10.163 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.334 0.933 -8.947 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.985 -0.409 -9.917 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.058 1.185 -12.576 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.416 -0.471 -12.463 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.598 0.832 -13.126 1.00 0.00 H new ATOM 1422 N ILE A 102 -3.218 0.426 -12.451 1.00 0.00 N ATOM 1423 CA ILE A 102 -4.410 0.978 -13.071 1.00 0.00 C ATOM 1424 C ILE A 102 -5.587 0.857 -12.100 1.00 0.00 C ATOM 1425 O ILE A 102 -6.424 1.755 -12.018 1.00 0.00 O ATOM 1426 CB ILE A 102 -4.663 0.320 -14.428 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -5.832 0.988 -15.154 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -4.871 -1.188 -14.276 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -5.669 0.881 -16.671 1.00 0.00 C ATOM 0 H ILE A 102 -2.669 -0.187 -13.053 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.274 2.039 -13.278 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.777 0.463 -15.046 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.768 0.519 -14.851 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.893 2.037 -14.864 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.049 -1.631 -15.256 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -3.982 -1.635 -13.832 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.731 -1.374 -13.632 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.514 1.364 -17.163 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.744 1.372 -16.973 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -5.633 -0.169 -16.960 1.00 0.00 H new ATOM 1440 N LYS A 103 -5.614 -0.261 -11.390 1.00 0.00 N ATOM 1441 CA LYS A 103 -6.675 -0.511 -10.428 1.00 0.00 C ATOM 1442 C LYS A 103 -6.761 0.666 -9.453 1.00 0.00 C ATOM 1443 O LYS A 103 -7.845 1.190 -9.202 1.00 0.00 O ATOM 1444 CB LYS A 103 -6.469 -1.863 -9.743 1.00 0.00 C ATOM 1445 CG LYS A 103 -6.403 -2.994 -10.771 1.00 0.00 C ATOM 1446 CD LYS A 103 -7.677 -3.840 -10.736 1.00 0.00 C ATOM 1447 CE LYS A 103 -8.490 -3.660 -12.021 1.00 0.00 C ATOM 1448 NZ LYS A 103 -7.681 -4.035 -13.202 1.00 0.00 N ATOM 0 H LYS A 103 -4.919 -1.004 -11.461 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.639 -0.579 -10.932 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.548 -1.843 -9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.285 -2.049 -9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.267 -2.576 -11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.537 -3.625 -10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.417 -4.891 -10.610 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.283 -3.556 -9.875 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.389 -4.275 -11.979 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.816 -2.624 -12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.280 -4.536 -13.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.293 -3.177 -13.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.901 -4.655 -12.906 1.00 0.00 H new ATOM 1457 N GLU A 104 -5.604 1.048 -8.932 1.00 0.00 N ATOM 1458 CA GLU A 104 -5.536 2.152 -7.991 1.00 0.00 C ATOM 1459 C GLU A 104 -6.272 3.372 -8.549 1.00 0.00 C ATOM 1460 O GLU A 104 -7.077 3.988 -7.854 1.00 0.00 O ATOM 1461 CB GLU A 104 -4.084 2.495 -7.652 1.00 0.00 C ATOM 1462 CG GLU A 104 -3.986 3.872 -6.993 1.00 0.00 C ATOM 1463 CD GLU A 104 -3.177 4.839 -7.861 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -2.006 4.568 -8.165 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -3.808 5.904 -8.223 1.00 0.00 O ATOM 0 H GLU A 104 -4.706 0.612 -9.144 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.028 1.847 -7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.674 1.738 -6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.481 2.479 -8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.986 4.273 -6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.517 3.778 -6.013 1.00 0.00 H new ATOM 1471 N PHE A 105 -5.968 3.685 -9.801 1.00 0.00 N ATOM 1472 CA PHE A 105 -6.591 4.819 -10.461 1.00 0.00 C ATOM 1473 C PHE A 105 -8.115 4.691 -10.451 1.00 0.00 C ATOM 1474 O PHE A 105 -8.825 5.689 -10.342 1.00 0.00 O ATOM 1475 CB PHE A 105 -6.099 4.819 -11.909 1.00 0.00 C ATOM 1476 CG PHE A 105 -5.892 6.216 -12.497 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -5.278 7.180 -11.760 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -6.323 6.495 -13.756 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -5.086 8.476 -12.305 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -6.131 7.791 -14.302 1.00 0.00 C ATOM 1481 CZ PHE A 105 -5.517 8.755 -13.564 1.00 0.00 C ATOM 0 H PHE A 105 -5.298 3.173 -10.375 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.329 5.741 -9.943 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.158 4.271 -11.962 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -6.818 4.279 -12.526 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.936 6.959 -10.760 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.812 5.730 -14.341 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.597 9.241 -11.720 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.472 8.012 -15.303 1.00 0.00 H new ATOM 0 HZ PHE A 105 -5.372 9.742 -13.978 1.00 0.00 H new ATOM 1490 N LYS A 106 -8.574 3.452 -10.568 1.00 0.00 N ATOM 1491 CA LYS A 106 -10.000 3.181 -10.575 1.00 0.00 C ATOM 1492 C LYS A 106 -10.696 4.103 -9.572 1.00 0.00 C ATOM 1493 O LYS A 106 -11.848 4.486 -9.770 1.00 0.00 O ATOM 1494 CB LYS A 106 -10.263 1.693 -10.328 1.00 0.00 C ATOM 1495 CG LYS A 106 -11.538 1.236 -11.040 1.00 0.00 C ATOM 1496 CD LYS A 106 -11.209 0.318 -12.219 1.00 0.00 C ATOM 1497 CE LYS A 106 -9.967 0.808 -12.966 1.00 0.00 C ATOM 1498 NZ LYS A 106 -10.058 0.466 -14.403 1.00 0.00 N ATOM 0 H LYS A 106 -7.982 2.626 -10.659 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.424 3.399 -11.555 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.415 1.107 -10.681 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.354 1.509 -9.258 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.184 0.712 -10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.092 2.105 -11.395 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.044 -0.697 -11.859 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.057 0.280 -12.902 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.867 1.887 -12.849 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.074 0.356 -12.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.207 0.806 -14.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.131 -0.566 -14.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.900 0.918 -14.815 1.00 0.00 H new ATOM 1507 N ILE A 107 -9.967 4.432 -8.516 1.00 0.00 N ATOM 1508 CA ILE A 107 -10.500 5.302 -7.481 1.00 0.00 C ATOM 1509 C ILE A 107 -11.322 6.417 -8.131 1.00 0.00 C ATOM 1510 O ILE A 107 -12.276 6.917 -7.538 1.00 0.00 O ATOM 1511 CB ILE A 107 -9.374 5.815 -6.580 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -9.922 6.733 -5.485 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -8.279 6.496 -7.404 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -8.786 7.428 -4.733 1.00 0.00 C ATOM 0 H ILE A 107 -9.012 4.112 -8.355 1.00 0.00 H new ATOM 0 HA ILE A 107 -11.174 4.748 -6.828 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.918 4.959 -6.083 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.580 7.480 -5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -10.524 6.152 -4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.491 6.851 -6.739 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.861 5.782 -8.114 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -8.704 7.340 -7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.203 8.074 -3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -8.143 6.678 -4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.201 8.027 -5.431 1.00 0.00 H new ATOM 1525 N THR A 108 -10.921 6.774 -9.342 1.00 0.00 N ATOM 1526 CA THR A 108 -11.609 7.820 -10.080 1.00 0.00 C ATOM 1527 C THR A 108 -11.809 7.402 -11.539 1.00 0.00 C ATOM 1528 O THR A 108 -12.893 7.572 -12.093 1.00 0.00 O ATOM 1529 CB THR A 108 -10.809 9.114 -9.922 1.00 0.00 C ATOM 1530 OG1 THR A 108 -9.516 8.786 -10.423 1.00 0.00 O ATOM 1531 CG2 THR A 108 -10.560 9.475 -8.456 1.00 0.00 C ATOM 0 H THR A 108 -10.128 6.358 -9.831 1.00 0.00 H new ATOM 0 HA THR A 108 -12.610 7.990 -9.684 1.00 0.00 H new ATOM 0 HB THR A 108 -11.341 9.930 -10.411 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.932 9.570 -10.359 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.988 10.401 -8.401 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.515 9.607 -7.947 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.000 8.674 -7.974 1.00 0.00 H new ATOM 1539 N ASP A 109 -10.745 6.865 -12.116 1.00 0.00 N ATOM 1540 CA ASP A 109 -10.788 6.421 -13.499 1.00 0.00 C ATOM 1541 C ASP A 109 -12.120 5.715 -13.762 1.00 0.00 C ATOM 1542 O ASP A 109 -12.796 5.288 -12.827 1.00 0.00 O ATOM 1543 CB ASP A 109 -9.662 5.431 -13.797 1.00 0.00 C ATOM 1544 CG ASP A 109 -9.811 4.654 -15.106 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -10.792 4.829 -15.844 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -8.854 3.827 -15.362 1.00 0.00 O ATOM 0 H ASP A 109 -9.848 6.727 -11.651 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.674 7.297 -14.137 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.718 5.975 -13.821 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -9.599 4.718 -12.975 1.00 0.00 H new