USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 642 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 43 ASN :FLIP amide:sc= -2.07! C(o=-2.9!,f=-1.7!) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= -0.0928 USER MOD Set 1.3: A 59 SER OG : rot 86:sc= 0.681 USER MOD Set 1.4: A 73 CYS SG : rot 180:sc= -0.268 USER MOD Set 2.1: A 14 ASN : amide:sc= 1.19 K(o=2.8,f=-0.16) USER MOD Set 2.2: A 18 THR OG1 : rot -68:sc= 1.66 USER MOD Set 3.1: A 7 SER OG : rot 119:sc= 0.985 USER MOD Set 3.2: A 23 CYS SG : rot -108:sc= -0.039 USER MOD Set 4.1: A 2 SER OG : rot 48:sc= -0.988 USER MOD Set 4.2: A 91 ASN :FLIP amide:sc= -0.164 F(o=-2.7!,f=-1.2) USER MOD Single : A 3 TYR OH : rot 19:sc= 1.03 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 1.06 K(o=1.1,f=-1.1) USER MOD Single : A 13 THR OG1 : rot 169:sc= -1.2! USER MOD Single : A 25 ASN : amide:sc= -0.7 K(o=-0.7,f=-9.9!) USER MOD Single : A 29 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.61) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 162:sc= 1.19 USER MOD Single : A 39 THR OG1 : rot -86:sc= 1.09 USER MOD Single : A 40 CYS SG : rot 176:sc= -0.49 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 52 MET CE :methyl -139:sc= -0.279 (180deg=-1.23) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc=-0.00411! X(o=-0.0041!,f=-0.27) USER MOD Single : A 56 SER OG : rot 160:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc=0.000391 X(o=0.00039,f=-0.017) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= -0.0127 (180deg=-0.185) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 25:sc= 1.04 USER MOD Single : A 76 LYS NZ :NH3+ 151:sc= 1.09 (180deg=0.591) USER MOD Single : A 77 THR OG1 : rot 43:sc= 0.087 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.0879 F(o=-2.8,f=-0.088) USER MOD Single : A 94 GLN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 95 ASN : amide:sc= -1.75 K(o=-1.8,f=-6.7!) USER MOD Single : A 97 ASN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.0998 X(o=-0.1,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 1.798 12.334 -0.944 1.00 0.00 N ATOM 17 CA SER A 2 2.191 11.052 -0.383 1.00 0.00 C ATOM 18 C SER A 2 3.711 10.943 -0.280 1.00 0.00 C ATOM 19 O SER A 2 4.428 11.855 -0.692 1.00 0.00 O ATOM 20 CB SER A 2 1.642 9.913 -1.241 1.00 0.00 C ATOM 21 OG SER A 2 0.298 10.162 -1.617 1.00 0.00 O ATOM 0 HA SER A 2 1.774 10.978 0.621 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.257 9.796 -2.133 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.701 8.976 -0.688 1.00 0.00 H new ATOM 0 HG SER A 2 0.217 11.079 -1.954 1.00 0.00 H new ATOM 26 N TYR A 3 4.197 9.831 0.256 1.00 0.00 N ATOM 27 CA TYR A 3 5.633 9.604 0.406 1.00 0.00 C ATOM 28 C TYR A 3 6.351 9.638 -0.944 1.00 0.00 C ATOM 29 O TYR A 3 7.486 10.104 -1.041 1.00 0.00 O ATOM 30 CB TYR A 3 5.886 8.253 1.084 1.00 0.00 C ATOM 31 CG TYR A 3 5.528 7.050 0.232 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.206 6.751 -0.075 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.520 6.217 -0.272 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.883 5.660 -0.853 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.205 5.122 -1.051 1.00 0.00 C ATOM 36 CZ TYR A 3 4.884 4.851 -1.341 1.00 0.00 C ATOM 37 OH TYR A 3 4.562 3.760 -2.112 1.00 0.00 O ATOM 0 H TYR A 3 3.615 9.066 0.597 1.00 0.00 H new ATOM 0 HA TYR A 3 6.030 10.408 1.026 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.939 8.189 1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.312 8.211 2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.417 7.385 0.303 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.555 6.430 -0.050 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.850 5.441 -1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.987 4.482 -1.431 1.00 0.00 H new ATOM 0 HH TYR A 3 3.654 3.866 -2.465 1.00 0.00 H new ATOM 46 N ALA A 4 5.661 9.164 -1.980 1.00 0.00 N ATOM 47 CA ALA A 4 6.211 9.098 -3.333 1.00 0.00 C ATOM 48 C ALA A 4 6.716 10.451 -3.835 1.00 0.00 C ATOM 49 O ALA A 4 7.486 10.502 -4.791 1.00 0.00 O ATOM 50 CB ALA A 4 5.181 8.524 -4.287 1.00 0.00 C ATOM 0 H ALA A 4 4.705 8.815 -1.905 1.00 0.00 H new ATOM 0 HA ALA A 4 7.078 8.438 -3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.601 8.479 -5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.905 7.520 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.295 9.160 -4.292 1.00 0.00 H new ATOM 56 N ASP A 5 6.277 11.536 -3.201 1.00 0.00 N ATOM 57 CA ASP A 5 6.719 12.875 -3.584 1.00 0.00 C ATOM 58 C ASP A 5 8.242 12.960 -3.527 1.00 0.00 C ATOM 59 O ASP A 5 8.880 13.584 -4.374 1.00 0.00 O ATOM 60 CB ASP A 5 6.104 13.930 -2.661 1.00 0.00 C ATOM 61 CG ASP A 5 6.669 15.314 -2.912 1.00 0.00 C ATOM 62 OD1 ASP A 5 6.175 16.004 -3.828 1.00 0.00 O ATOM 63 OD2 ASP A 5 7.610 15.712 -2.192 1.00 0.00 O ATOM 0 H ASP A 5 5.618 11.515 -2.423 1.00 0.00 H new ATOM 0 HA ASP A 5 6.387 13.069 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.024 13.950 -2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.283 13.650 -1.623 1.00 0.00 H new ATOM 67 N SER A 6 8.811 12.309 -2.521 1.00 0.00 N ATOM 68 CA SER A 6 10.244 12.274 -2.331 1.00 0.00 C ATOM 69 C SER A 6 10.692 10.827 -2.157 1.00 0.00 C ATOM 70 O SER A 6 11.534 10.521 -1.316 1.00 0.00 O ATOM 71 CB SER A 6 10.629 13.102 -1.104 1.00 0.00 C ATOM 72 OG SER A 6 10.179 14.442 -1.231 1.00 0.00 O ATOM 0 H SER A 6 8.286 11.792 -1.816 1.00 0.00 H new ATOM 0 HA SER A 6 10.739 12.700 -3.203 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.198 12.654 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.712 13.089 -0.978 1.00 0.00 H new ATOM 0 HG SER A 6 10.436 14.950 -0.433 1.00 0.00 H new ATOM 77 N SER A 7 10.105 9.936 -2.948 1.00 0.00 N ATOM 78 CA SER A 7 10.429 8.520 -2.882 1.00 0.00 C ATOM 79 C SER A 7 10.290 7.882 -4.259 1.00 0.00 C ATOM 80 O SER A 7 9.458 8.304 -5.065 1.00 0.00 O ATOM 81 CB SER A 7 9.514 7.822 -1.869 1.00 0.00 C ATOM 82 OG SER A 7 9.872 6.464 -1.689 1.00 0.00 O ATOM 0 H SER A 7 9.399 10.173 -3.645 1.00 0.00 H new ATOM 0 HA SER A 7 11.463 8.407 -2.555 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.566 8.342 -0.912 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.480 7.884 -2.209 1.00 0.00 H new ATOM 0 HG SER A 7 10.125 6.314 -0.754 1.00 0.00 H new ATOM 87 N ARG A 8 11.104 6.874 -4.526 1.00 0.00 N ATOM 88 CA ARG A 8 11.074 6.186 -5.809 1.00 0.00 C ATOM 89 C ARG A 8 11.331 4.695 -5.626 1.00 0.00 C ATOM 90 O ARG A 8 11.811 4.270 -4.575 1.00 0.00 O ATOM 91 CB ARG A 8 12.117 6.785 -6.761 1.00 0.00 C ATOM 92 CG ARG A 8 13.554 6.606 -6.290 1.00 0.00 C ATOM 93 CD ARG A 8 14.539 7.269 -7.242 1.00 0.00 C ATOM 94 NE ARG A 8 14.418 6.757 -8.605 1.00 0.00 N ATOM 95 CZ ARG A 8 15.046 7.281 -9.655 1.00 0.00 C ATOM 96 NH1 ARG A 8 15.860 8.323 -9.498 1.00 0.00 N ATOM 97 NH2 ARG A 8 14.868 6.753 -10.860 1.00 0.00 N ATOM 0 H ARG A 8 11.796 6.512 -3.870 1.00 0.00 H new ATOM 0 HA ARG A 8 10.083 6.318 -6.243 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.006 6.324 -7.743 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.915 7.849 -6.884 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.667 7.032 -5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.782 5.543 -6.210 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.371 8.346 -7.244 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.555 7.105 -6.883 1.00 0.00 H new ATOM 0 HE ARG A 8 13.816 5.949 -8.761 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.004 8.722 -8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.339 8.722 -10.305 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.252 5.949 -10.978 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.347 7.152 -11.667 1.00 0.00 H new ATOM 108 N ASN A 9 11.000 3.915 -6.659 1.00 0.00 N ATOM 109 CA ASN A 9 11.197 2.463 -6.647 1.00 0.00 C ATOM 110 C ASN A 9 10.340 1.795 -5.585 1.00 0.00 C ATOM 111 O ASN A 9 10.827 0.983 -4.798 1.00 0.00 O ATOM 112 CB ASN A 9 12.671 2.107 -6.437 1.00 0.00 C ATOM 113 CG ASN A 9 13.499 2.315 -7.685 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.024 2.109 -8.805 1.00 0.00 O ATOM 115 ND2 ASN A 9 14.732 2.751 -7.509 1.00 0.00 N ATOM 0 H ASN A 9 10.590 4.270 -7.523 1.00 0.00 H new ATOM 0 HA ASN A 9 10.886 2.088 -7.622 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.077 2.716 -5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.749 1.066 -6.122 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.330 2.930 -8.316 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.087 2.909 -6.566 1.00 0.00 H new ATOM 121 N ALA A 10 9.061 2.141 -5.569 1.00 0.00 N ATOM 122 CA ALA A 10 8.139 1.565 -4.608 1.00 0.00 C ATOM 123 C ALA A 10 7.735 0.163 -5.037 1.00 0.00 C ATOM 124 O ALA A 10 7.136 -0.032 -6.097 1.00 0.00 O ATOM 125 CB ALA A 10 6.913 2.451 -4.442 1.00 0.00 C ATOM 0 H ALA A 10 8.642 2.815 -6.209 1.00 0.00 H new ATOM 0 HA ALA A 10 8.642 1.499 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.234 2.001 -3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.221 3.435 -4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.405 2.552 -5.401 1.00 0.00 H new ATOM 131 N VAL A 11 8.081 -0.809 -4.216 1.00 0.00 N ATOM 132 CA VAL A 11 7.766 -2.196 -4.498 1.00 0.00 C ATOM 133 C VAL A 11 6.877 -2.765 -3.405 1.00 0.00 C ATOM 134 O VAL A 11 6.711 -2.155 -2.346 1.00 0.00 O ATOM 135 CB VAL A 11 9.041 -3.065 -4.623 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.919 -2.568 -5.757 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.823 -3.090 -3.316 1.00 0.00 C ATOM 0 H VAL A 11 8.584 -0.662 -3.341 1.00 0.00 H new ATOM 0 HA VAL A 11 7.243 -2.220 -5.454 1.00 0.00 H new ATOM 0 HB VAL A 11 8.728 -4.085 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.810 -3.192 -5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.365 -2.618 -6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.213 -1.536 -5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.713 -3.708 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.120 -2.075 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.197 -3.504 -2.525 1.00 0.00 H new ATOM 147 N LEU A 12 6.318 -3.936 -3.662 1.00 0.00 N ATOM 148 CA LEU A 12 5.446 -4.592 -2.702 1.00 0.00 C ATOM 149 C LEU A 12 6.188 -5.736 -2.037 1.00 0.00 C ATOM 150 O LEU A 12 6.555 -6.712 -2.691 1.00 0.00 O ATOM 151 CB LEU A 12 4.178 -5.137 -3.386 1.00 0.00 C ATOM 152 CG LEU A 12 3.160 -4.095 -3.867 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.845 -3.105 -2.756 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.649 -3.377 -5.123 1.00 0.00 C ATOM 0 H LEU A 12 6.453 -4.453 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 12 5.148 -3.856 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.483 -5.737 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.676 -5.809 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 12 2.240 -4.618 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.121 -2.373 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.429 -3.638 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.759 -2.593 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.904 -2.646 -5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.589 -2.869 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.803 -4.104 -5.921 1.00 0.00 H new ATOM 165 N THR A 13 6.418 -5.609 -0.743 1.00 0.00 N ATOM 166 CA THR A 13 7.129 -6.634 -0.004 1.00 0.00 C ATOM 167 C THR A 13 6.218 -7.338 0.994 1.00 0.00 C ATOM 168 O THR A 13 5.093 -6.884 1.259 1.00 0.00 O ATOM 169 CB THR A 13 8.356 -6.043 0.722 1.00 0.00 C ATOM 170 OG1 THR A 13 7.981 -4.888 1.489 1.00 0.00 O ATOM 171 CG2 THR A 13 9.429 -5.662 -0.282 1.00 0.00 C ATOM 0 H THR A 13 6.123 -4.808 -0.184 1.00 0.00 H new ATOM 0 HA THR A 13 7.474 -7.372 -0.728 1.00 0.00 H new ATOM 0 HB THR A 13 8.751 -6.802 1.397 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.724 -4.628 2.073 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.288 -5.247 0.244 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.737 -6.547 -0.839 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.033 -4.918 -0.973 1.00 0.00 H new ATOM 179 N ASN A 14 6.702 -8.465 1.514 1.00 0.00 N ATOM 180 CA ASN A 14 5.965 -9.259 2.491 1.00 0.00 C ATOM 181 C ASN A 14 4.649 -9.750 1.911 1.00 0.00 C ATOM 182 O ASN A 14 3.610 -9.707 2.570 1.00 0.00 O ATOM 183 CB ASN A 14 5.716 -8.438 3.756 1.00 0.00 C ATOM 184 CG ASN A 14 6.972 -8.260 4.585 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.807 -9.161 4.674 1.00 0.00 O ATOM 186 ND2 ASN A 14 7.125 -7.091 5.179 1.00 0.00 N ATOM 0 H ASN A 14 7.614 -8.851 1.270 1.00 0.00 H new ATOM 0 HA ASN A 14 6.567 -10.131 2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.325 -7.459 3.479 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.952 -8.928 4.359 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.959 -6.908 5.737 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.409 -6.371 5.080 1.00 0.00 H new ATOM 192 N GLY A 15 4.694 -10.201 0.668 1.00 0.00 N ATOM 193 CA GLY A 15 3.500 -10.690 0.018 1.00 0.00 C ATOM 194 C GLY A 15 2.872 -9.631 -0.859 1.00 0.00 C ATOM 195 O GLY A 15 2.550 -9.872 -2.025 1.00 0.00 O ATOM 0 H GLY A 15 5.539 -10.237 0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.745 -11.564 -0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.781 -11.013 0.771 1.00 0.00 H new ATOM 199 N GLY A 16 2.731 -8.449 -0.291 1.00 0.00 N ATOM 200 CA GLY A 16 2.137 -7.333 -0.988 1.00 0.00 C ATOM 201 C GLY A 16 1.362 -6.470 -0.028 1.00 0.00 C ATOM 202 O GLY A 16 0.223 -6.095 -0.284 1.00 0.00 O ATOM 0 H GLY A 16 3.025 -8.239 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.915 -6.742 -1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.477 -7.697 -1.775 1.00 0.00 H new ATOM 206 N ARG A 17 1.988 -6.172 1.097 1.00 0.00 N ATOM 207 CA ARG A 17 1.359 -5.373 2.135 1.00 0.00 C ATOM 208 C ARG A 17 2.293 -4.278 2.633 1.00 0.00 C ATOM 209 O ARG A 17 1.847 -3.252 3.147 1.00 0.00 O ATOM 210 CB ARG A 17 0.961 -6.284 3.291 1.00 0.00 C ATOM 211 CG ARG A 17 2.137 -7.027 3.901 1.00 0.00 C ATOM 212 CD ARG A 17 1.682 -8.107 4.863 1.00 0.00 C ATOM 213 NE ARG A 17 0.970 -9.193 4.190 1.00 0.00 N ATOM 214 CZ ARG A 17 0.920 -10.434 4.663 1.00 0.00 C ATOM 215 NH1 ARG A 17 1.497 -10.719 5.825 1.00 0.00 N ATOM 216 NH2 ARG A 17 0.293 -11.385 3.987 1.00 0.00 N ATOM 0 H ARG A 17 2.938 -6.473 1.316 1.00 0.00 H new ATOM 0 HA ARG A 17 0.475 -4.891 1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.476 -5.688 4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.226 -7.008 2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.735 -7.475 3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.781 -6.321 4.425 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.549 -8.513 5.384 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.033 -7.665 5.619 1.00 0.00 H new ATOM 0 HE ARG A 17 0.488 -8.988 3.315 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.976 -9.987 6.350 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.461 -11.670 6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.156 -11.167 3.097 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.259 -12.335 4.356 1.00 0.00 H new ATOM 227 N THR A 18 3.588 -4.510 2.496 1.00 0.00 N ATOM 228 CA THR A 18 4.580 -3.555 2.934 1.00 0.00 C ATOM 229 C THR A 18 5.111 -2.751 1.757 1.00 0.00 C ATOM 230 O THR A 18 5.423 -3.305 0.699 1.00 0.00 O ATOM 231 CB THR A 18 5.744 -4.281 3.617 1.00 0.00 C ATOM 232 OG1 THR A 18 5.229 -5.348 4.424 1.00 0.00 O ATOM 233 CG2 THR A 18 6.552 -3.330 4.484 1.00 0.00 C ATOM 0 H THR A 18 3.974 -5.358 2.082 1.00 0.00 H new ATOM 0 HA THR A 18 4.106 -2.875 3.642 1.00 0.00 H new ATOM 0 HB THR A 18 6.403 -4.680 2.845 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.729 -4.975 5.180 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.371 -3.874 4.955 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.957 -2.529 3.866 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.909 -2.904 5.254 1.00 0.00 H new ATOM 241 N LEU A 19 5.181 -1.443 1.938 1.00 0.00 N ATOM 242 CA LEU A 19 5.687 -0.557 0.905 1.00 0.00 C ATOM 243 C LEU A 19 7.174 -0.329 1.089 1.00 0.00 C ATOM 244 O LEU A 19 7.592 0.298 2.062 1.00 0.00 O ATOM 245 CB LEU A 19 4.970 0.795 0.937 1.00 0.00 C ATOM 246 CG LEU A 19 3.496 0.775 0.547 1.00 0.00 C ATOM 247 CD1 LEU A 19 2.932 2.187 0.582 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.321 0.155 -0.831 1.00 0.00 C ATOM 0 H LEU A 19 4.892 -0.970 2.795 1.00 0.00 H new ATOM 0 HA LEU A 19 5.502 -1.034 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.054 1.206 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.494 1.478 0.269 1.00 0.00 H new ATOM 0 HG LEU A 19 2.947 0.165 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.879 2.165 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.032 2.594 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.481 2.815 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.264 0.148 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.875 0.739 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.699 -0.867 -0.821 1.00 0.00 H new ATOM 259 N ARG A 20 7.969 -0.849 0.173 1.00 0.00 N ATOM 260 CA ARG A 20 9.405 -0.666 0.240 1.00 0.00 C ATOM 261 C ARG A 20 9.843 0.252 -0.889 1.00 0.00 C ATOM 262 O ARG A 20 9.629 -0.055 -2.058 1.00 0.00 O ATOM 263 CB ARG A 20 10.129 -2.010 0.142 1.00 0.00 C ATOM 264 CG ARG A 20 11.640 -1.891 0.264 1.00 0.00 C ATOM 265 CD ARG A 20 12.318 -3.247 0.184 1.00 0.00 C ATOM 266 NE ARG A 20 11.917 -4.125 1.280 1.00 0.00 N ATOM 267 CZ ARG A 20 12.449 -5.320 1.516 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.403 -5.800 0.725 1.00 0.00 N ATOM 269 NH2 ARG A 20 12.019 -6.031 2.550 1.00 0.00 N ATOM 0 H ARG A 20 7.646 -1.399 -0.623 1.00 0.00 H new ATOM 0 HA ARG A 20 9.663 -0.216 1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.759 -2.672 0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.884 -2.478 -0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.020 -1.247 -0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.892 -1.413 1.211 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.073 -3.719 -0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.400 -3.113 0.204 1.00 0.00 H new ATOM 0 HE ARG A 20 11.180 -3.800 1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.731 -5.251 -0.069 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.807 -6.718 0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.287 -5.660 3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.421 -6.949 2.740 1.00 0.00 H new ATOM 280 N ALA A 21 10.446 1.374 -0.543 1.00 0.00 N ATOM 281 CA ALA A 21 10.888 2.331 -1.545 1.00 0.00 C ATOM 282 C ALA A 21 12.067 3.149 -1.047 1.00 0.00 C ATOM 283 O ALA A 21 12.395 3.124 0.142 1.00 0.00 O ATOM 284 CB ALA A 21 9.738 3.252 -1.922 1.00 0.00 C ATOM 0 H ALA A 21 10.641 1.646 0.420 1.00 0.00 H new ATOM 0 HA ALA A 21 11.213 1.775 -2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.075 3.967 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.916 2.661 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.397 3.789 -1.037 1.00 0.00 H new ATOM 290 N GLU A 22 12.706 3.857 -1.970 1.00 0.00 N ATOM 291 CA GLU A 22 13.828 4.715 -1.637 1.00 0.00 C ATOM 292 C GLU A 22 13.295 6.100 -1.336 1.00 0.00 C ATOM 293 O GLU A 22 12.849 6.803 -2.239 1.00 0.00 O ATOM 294 CB GLU A 22 14.840 4.790 -2.789 1.00 0.00 C ATOM 295 CG GLU A 22 15.380 3.434 -3.203 1.00 0.00 C ATOM 296 CD GLU A 22 16.514 3.535 -4.199 1.00 0.00 C ATOM 297 OE1 GLU A 22 16.247 3.536 -5.419 1.00 0.00 O ATOM 298 OE2 GLU A 22 17.682 3.594 -3.764 1.00 0.00 O ATOM 0 H GLU A 22 12.462 3.851 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 22 14.345 4.302 -0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.366 5.263 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.671 5.429 -2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.726 2.900 -2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.573 2.843 -3.637 1.00 0.00 H new ATOM 303 N CYS A 23 13.314 6.475 -0.072 1.00 0.00 N ATOM 304 CA CYS A 23 12.816 7.771 0.337 1.00 0.00 C ATOM 305 C CYS A 23 13.970 8.734 0.546 1.00 0.00 C ATOM 306 O CYS A 23 14.976 8.389 1.158 1.00 0.00 O ATOM 307 CB CYS A 23 11.995 7.636 1.618 1.00 0.00 C ATOM 308 SG CYS A 23 10.598 6.498 1.474 1.00 0.00 S ATOM 0 H CYS A 23 13.670 5.898 0.690 1.00 0.00 H new ATOM 0 HA CYS A 23 12.173 8.167 -0.449 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.647 7.295 2.422 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.622 8.619 1.905 1.00 0.00 H new ATOM 0 HG CYS A 23 9.488 7.174 1.458 1.00 0.00 H new ATOM 313 N ARG A 24 13.843 9.928 0.003 1.00 0.00 N ATOM 314 CA ARG A 24 14.875 10.924 0.139 1.00 0.00 C ATOM 315 C ARG A 24 14.772 11.616 1.489 1.00 0.00 C ATOM 316 O ARG A 24 13.764 12.255 1.798 1.00 0.00 O ATOM 317 CB ARG A 24 14.764 11.936 -0.993 1.00 0.00 C ATOM 318 CG ARG A 24 16.113 12.433 -1.462 1.00 0.00 C ATOM 319 CD ARG A 24 16.000 13.168 -2.780 1.00 0.00 C ATOM 320 NE ARG A 24 15.555 14.550 -2.606 1.00 0.00 N ATOM 321 CZ ARG A 24 16.325 15.611 -2.853 1.00 0.00 C ATOM 322 NH1 ARG A 24 17.571 15.444 -3.287 1.00 0.00 N ATOM 323 NH2 ARG A 24 15.850 16.839 -2.673 1.00 0.00 N ATOM 0 H ARG A 24 13.031 10.228 -0.537 1.00 0.00 H new ATOM 0 HA ARG A 24 15.849 10.437 0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.237 11.481 -1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.164 12.783 -0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.541 13.095 -0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.796 11.590 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.967 13.160 -3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.300 12.642 -3.429 1.00 0.00 H new ATOM 0 HE ARG A 24 14.603 14.712 -2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.939 14.504 -3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.159 16.256 -3.475 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.894 16.973 -2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.442 17.648 -2.863 1.00 0.00 H new ATOM 334 N ASN A 25 15.813 11.468 2.293 1.00 0.00 N ATOM 335 CA ASN A 25 15.851 12.081 3.610 1.00 0.00 C ATOM 336 C ASN A 25 16.238 13.549 3.493 1.00 0.00 C ATOM 337 O ASN A 25 16.742 13.981 2.449 1.00 0.00 O ATOM 338 CB ASN A 25 16.821 11.336 4.550 1.00 0.00 C ATOM 339 CG ASN A 25 18.266 11.308 4.069 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.718 12.185 3.339 1.00 0.00 O ATOM 341 ND2 ASN A 25 19.008 10.301 4.494 1.00 0.00 N ATOM 0 H ASN A 25 16.644 10.927 2.055 1.00 0.00 H new ATOM 0 HA ASN A 25 14.854 12.012 4.045 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.787 11.805 5.533 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.472 10.311 4.674 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.987 10.236 4.216 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.602 9.588 5.100 1.00 0.00 H new ATOM 347 N ALA A 26 16.025 14.294 4.577 1.00 0.00 N ATOM 348 CA ALA A 26 16.323 15.727 4.621 1.00 0.00 C ATOM 349 C ALA A 26 17.794 16.017 4.341 1.00 0.00 C ATOM 350 O ALA A 26 18.165 17.144 4.009 1.00 0.00 O ATOM 351 CB ALA A 26 15.926 16.296 5.972 1.00 0.00 C ATOM 0 H ALA A 26 15.642 13.924 5.447 1.00 0.00 H new ATOM 0 HA ALA A 26 15.742 16.208 3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.150 17.362 5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.858 16.146 6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.484 15.789 6.759 1.00 0.00 H new ATOM 357 N ASP A 27 18.628 14.996 4.486 1.00 0.00 N ATOM 358 CA ASP A 27 20.059 15.120 4.236 1.00 0.00 C ATOM 359 C ASP A 27 20.319 15.148 2.729 1.00 0.00 C ATOM 360 O ASP A 27 21.405 15.503 2.271 1.00 0.00 O ATOM 361 CB ASP A 27 20.800 13.955 4.900 1.00 0.00 C ATOM 362 CG ASP A 27 22.298 13.984 4.674 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.980 14.849 5.268 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.805 13.128 3.921 1.00 0.00 O ATOM 0 H ASP A 27 18.335 14.064 4.778 1.00 0.00 H new ATOM 0 HA ASP A 27 20.428 16.052 4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.602 13.972 5.972 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.401 13.016 4.517 1.00 0.00 H new ATOM 368 N GLY A 28 19.294 14.782 1.969 1.00 0.00 N ATOM 369 CA GLY A 28 19.391 14.771 0.525 1.00 0.00 C ATOM 370 C GLY A 28 19.850 13.435 -0.017 1.00 0.00 C ATOM 371 O GLY A 28 20.381 13.364 -1.127 1.00 0.00 O ATOM 0 H GLY A 28 18.388 14.490 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.419 15.018 0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 28 20.086 15.547 0.205 1.00 0.00 H new ATOM 375 N ASN A 29 19.633 12.374 0.751 1.00 0.00 N ATOM 376 CA ASN A 29 20.050 11.033 0.342 1.00 0.00 C ATOM 377 C ASN A 29 18.876 10.065 0.309 1.00 0.00 C ATOM 378 O ASN A 29 17.857 10.291 0.957 1.00 0.00 O ATOM 379 CB ASN A 29 21.111 10.502 1.304 1.00 0.00 C ATOM 380 CG ASN A 29 22.474 10.362 0.654 1.00 0.00 C ATOM 381 OD1 ASN A 29 22.827 11.121 -0.245 1.00 0.00 O ATOM 382 ND2 ASN A 29 23.249 9.391 1.106 1.00 0.00 N ATOM 0 H ASN A 29 19.171 12.413 1.660 1.00 0.00 H new ATOM 0 HA ASN A 29 20.460 11.109 -0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.188 11.173 2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.795 9.532 1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 29 24.177 9.251 0.706 1.00 0.00 H new ATOM 0 HD22 ASN A 29 22.919 8.782 1.854 1.00 0.00 H new ATOM 388 N TRP A 30 19.027 8.980 -0.443 1.00 0.00 N ATOM 389 CA TRP A 30 17.976 7.972 -0.555 1.00 0.00 C ATOM 390 C TRP A 30 18.133 6.893 0.511 1.00 0.00 C ATOM 391 O TRP A 30 19.221 6.348 0.699 1.00 0.00 O ATOM 392 CB TRP A 30 17.994 7.303 -1.935 1.00 0.00 C ATOM 393 CG TRP A 30 17.663 8.218 -3.073 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.524 8.692 -4.015 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.379 8.757 -3.396 1.00 0.00 C ATOM 396 NE1 TRP A 30 17.851 9.489 -4.906 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.536 9.546 -4.547 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.114 8.651 -2.826 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.477 10.221 -5.138 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.060 9.325 -3.413 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.247 10.100 -4.560 1.00 0.00 C ATOM 0 H TRP A 30 19.867 8.775 -0.985 1.00 0.00 H new ATOM 0 HA TRP A 30 17.026 8.488 -0.414 1.00 0.00 H new ATOM 0 HB2 TRP A 30 18.982 6.876 -2.105 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.285 6.475 -1.933 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.581 8.473 -4.055 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.267 9.963 -5.708 1.00 0.00 H new ATOM 0 HE3 TRP A 30 14.959 8.053 -1.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.621 10.821 -6.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.075 9.251 -2.977 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.403 10.613 -4.997 1.00 0.00 H new ATOM 411 N VAL A 31 17.044 6.595 1.208 1.00 0.00 N ATOM 412 CA VAL A 31 17.040 5.562 2.234 1.00 0.00 C ATOM 413 C VAL A 31 15.887 4.592 2.011 1.00 0.00 C ATOM 414 O VAL A 31 14.774 5.000 1.680 1.00 0.00 O ATOM 415 CB VAL A 31 16.939 6.142 3.663 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.252 6.783 4.078 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.802 7.143 3.774 1.00 0.00 C ATOM 0 H VAL A 31 16.145 7.059 1.079 1.00 0.00 H new ATOM 0 HA VAL A 31 17.994 5.041 2.148 1.00 0.00 H new ATOM 0 HB VAL A 31 16.727 5.315 4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.158 7.185 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.045 6.035 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.497 7.590 3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.758 7.532 4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.971 7.965 3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.860 6.651 3.533 1.00 0.00 H new ATOM 427 N THR A 32 16.160 3.309 2.172 1.00 0.00 N ATOM 428 CA THR A 32 15.143 2.287 1.992 1.00 0.00 C ATOM 429 C THR A 32 14.240 2.210 3.221 1.00 0.00 C ATOM 430 O THR A 32 14.668 1.774 4.292 1.00 0.00 O ATOM 431 CB THR A 32 15.783 0.908 1.734 1.00 0.00 C ATOM 432 OG1 THR A 32 16.698 0.999 0.633 1.00 0.00 O ATOM 433 CG2 THR A 32 14.723 -0.141 1.431 1.00 0.00 C ATOM 0 H THR A 32 17.080 2.949 2.428 1.00 0.00 H new ATOM 0 HA THR A 32 14.545 2.562 1.123 1.00 0.00 H new ATOM 0 HB THR A 32 16.317 0.606 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.105 0.122 0.472 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.204 -1.103 1.253 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.043 -0.226 2.278 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.162 0.154 0.544 1.00 0.00 H new ATOM 441 N SER A 33 13.000 2.642 3.063 1.00 0.00 N ATOM 442 CA SER A 33 12.041 2.626 4.155 1.00 0.00 C ATOM 443 C SER A 33 10.858 1.722 3.818 1.00 0.00 C ATOM 444 O SER A 33 10.536 1.520 2.645 1.00 0.00 O ATOM 445 CB SER A 33 11.564 4.048 4.447 1.00 0.00 C ATOM 446 OG SER A 33 12.650 4.875 4.836 1.00 0.00 O ATOM 0 H SER A 33 12.633 3.010 2.185 1.00 0.00 H new ATOM 0 HA SER A 33 12.528 2.228 5.045 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.083 4.464 3.562 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.814 4.029 5.238 1.00 0.00 H new ATOM 0 HG SER A 33 12.393 5.816 4.745 1.00 0.00 H new ATOM 451 N GLU A 34 10.226 1.167 4.851 1.00 0.00 N ATOM 452 CA GLU A 34 9.081 0.284 4.668 1.00 0.00 C ATOM 453 C GLU A 34 7.938 0.666 5.599 1.00 0.00 C ATOM 454 O GLU A 34 8.155 1.252 6.659 1.00 0.00 O ATOM 455 CB GLU A 34 9.458 -1.176 4.935 1.00 0.00 C ATOM 456 CG GLU A 34 10.459 -1.758 3.954 1.00 0.00 C ATOM 457 CD GLU A 34 10.614 -3.256 4.120 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.252 -3.688 5.102 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.105 -4.008 3.264 1.00 0.00 O ATOM 0 H GLU A 34 10.490 1.315 5.825 1.00 0.00 H new ATOM 0 HA GLU A 34 8.761 0.394 3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.868 -1.254 5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.552 -1.782 4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.138 -1.538 2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.426 -1.276 4.095 1.00 0.00 H new ATOM 464 N LEU A 35 6.727 0.324 5.190 1.00 0.00 N ATOM 465 CA LEU A 35 5.533 0.596 5.981 1.00 0.00 C ATOM 466 C LEU A 35 4.494 -0.474 5.678 1.00 0.00 C ATOM 467 O LEU A 35 4.169 -0.714 4.516 1.00 0.00 O ATOM 468 CB LEU A 35 4.971 1.988 5.650 1.00 0.00 C ATOM 469 CG LEU A 35 4.109 2.660 6.735 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.780 1.943 6.917 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.863 2.717 8.053 1.00 0.00 C ATOM 0 H LEU A 35 6.542 -0.148 4.305 1.00 0.00 H new ATOM 0 HA LEU A 35 5.787 0.578 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.808 2.648 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.373 1.907 4.742 1.00 0.00 H new ATOM 0 HG LEU A 35 3.896 3.677 6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.199 2.445 7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.226 1.960 5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.962 0.910 7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.239 3.195 8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.111 1.705 8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.780 3.292 7.923 1.00 0.00 H new ATOM 482 N ASP A 36 3.990 -1.125 6.715 1.00 0.00 N ATOM 483 CA ASP A 36 2.981 -2.164 6.539 1.00 0.00 C ATOM 484 C ASP A 36 1.596 -1.544 6.562 1.00 0.00 C ATOM 485 O ASP A 36 1.116 -1.114 7.612 1.00 0.00 O ATOM 486 CB ASP A 36 3.083 -3.226 7.641 1.00 0.00 C ATOM 487 CG ASP A 36 4.374 -4.012 7.589 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.445 -4.991 6.821 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.322 -3.661 8.322 1.00 0.00 O ATOM 0 H ASP A 36 4.260 -0.955 7.684 1.00 0.00 H new ATOM 0 HA ASP A 36 3.155 -2.646 5.577 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.999 -2.741 8.614 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.242 -3.914 7.554 1.00 0.00 H new ATOM 493 N LEU A 37 0.949 -1.514 5.409 1.00 0.00 N ATOM 494 CA LEU A 37 -0.383 -0.933 5.297 1.00 0.00 C ATOM 495 C LEU A 37 -1.457 -1.919 5.741 1.00 0.00 C ATOM 496 O LEU A 37 -2.602 -1.538 5.966 1.00 0.00 O ATOM 497 CB LEU A 37 -0.656 -0.506 3.857 1.00 0.00 C ATOM 498 CG LEU A 37 0.567 -0.065 3.055 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.158 0.312 1.647 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.266 1.100 3.732 1.00 0.00 C ATOM 0 H LEU A 37 1.323 -1.885 4.535 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.418 -0.062 5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.130 -1.337 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.374 0.314 3.870 1.00 0.00 H new ATOM 0 HG LEU A 37 1.267 -0.899 3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.037 0.625 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.299 -0.549 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.560 1.132 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.134 1.396 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.577 1.941 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.590 0.801 4.729 1.00 0.00 H new ATOM 511 N ASP A 38 -1.077 -3.184 5.897 1.00 0.00 N ATOM 512 CA ASP A 38 -2.020 -4.234 6.306 1.00 0.00 C ATOM 513 C ASP A 38 -2.519 -3.992 7.728 1.00 0.00 C ATOM 514 O ASP A 38 -3.397 -4.694 8.220 1.00 0.00 O ATOM 515 CB ASP A 38 -1.351 -5.610 6.227 1.00 0.00 C ATOM 516 CG ASP A 38 -2.324 -6.734 5.921 1.00 0.00 C ATOM 517 OD1 ASP A 38 -2.910 -6.732 4.822 1.00 0.00 O ATOM 518 OD2 ASP A 38 -2.485 -7.641 6.765 1.00 0.00 O ATOM 0 H ASP A 38 -0.123 -3.512 5.747 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.871 -4.206 5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.579 -5.587 5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.852 -5.818 7.173 1.00 0.00 H new ATOM 522 N THR A 39 -1.950 -2.990 8.376 1.00 0.00 N ATOM 523 CA THR A 39 -2.311 -2.649 9.737 1.00 0.00 C ATOM 524 C THR A 39 -3.525 -1.719 9.793 1.00 0.00 C ATOM 525 O THR A 39 -4.259 -1.711 10.780 1.00 0.00 O ATOM 526 CB THR A 39 -1.124 -1.975 10.448 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.688 -0.831 9.695 1.00 0.00 O ATOM 528 CG2 THR A 39 0.031 -2.949 10.599 1.00 0.00 C ATOM 0 H THR A 39 -1.228 -2.393 7.973 1.00 0.00 H new ATOM 0 HA THR A 39 -2.572 -3.579 10.243 1.00 0.00 H new ATOM 0 HB THR A 39 -1.451 -1.658 11.438 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.042 -1.114 9.014 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.861 -2.454 11.104 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.292 -3.808 11.188 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.354 -3.285 9.614 1.00 0.00 H new ATOM 536 N CYS A 40 -3.741 -0.943 8.737 1.00 0.00 N ATOM 537 CA CYS A 40 -4.859 -0.006 8.721 1.00 0.00 C ATOM 538 C CYS A 40 -5.735 -0.177 7.479 1.00 0.00 C ATOM 539 O CYS A 40 -6.752 0.501 7.329 1.00 0.00 O ATOM 540 CB CYS A 40 -4.336 1.430 8.816 1.00 0.00 C ATOM 541 SG CYS A 40 -5.608 2.668 9.173 1.00 0.00 S ATOM 0 H CYS A 40 -3.168 -0.942 7.893 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.486 -0.221 9.586 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.574 1.475 9.594 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.848 1.689 7.876 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.050 3.832 9.326 1.00 0.00 H new ATOM 546 N ILE A 41 -5.351 -1.080 6.586 1.00 0.00 N ATOM 547 CA ILE A 41 -6.137 -1.325 5.383 1.00 0.00 C ATOM 548 C ILE A 41 -6.779 -2.708 5.440 1.00 0.00 C ATOM 549 O ILE A 41 -6.118 -3.688 5.789 1.00 0.00 O ATOM 550 CB ILE A 41 -5.295 -1.232 4.092 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.608 0.126 3.970 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.180 -1.477 2.881 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.785 0.270 2.708 1.00 0.00 C ATOM 0 H ILE A 41 -4.509 -1.650 6.670 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.899 -0.546 5.353 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.519 -1.997 4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.364 0.911 3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.963 0.278 4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.581 -1.410 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.625 -2.470 2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.970 -0.727 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.325 1.258 2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.007 -0.493 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.430 0.150 1.837 1.00 0.00 H new ATOM 564 N GLY A 42 -8.061 -2.780 5.098 1.00 0.00 N ATOM 565 CA GLY A 42 -8.768 -4.044 5.106 1.00 0.00 C ATOM 566 C GLY A 42 -9.849 -4.089 4.050 1.00 0.00 C ATOM 567 O GLY A 42 -10.301 -3.041 3.582 1.00 0.00 O ATOM 0 H GLY A 42 -8.625 -1.979 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.061 -4.857 4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.212 -4.206 6.088 1.00 0.00 H new ATOM 571 N ASN A 43 -10.255 -5.295 3.660 1.00 0.00 N ATOM 572 CA ASN A 43 -11.302 -5.458 2.649 1.00 0.00 C ATOM 573 C ASN A 43 -12.012 -6.819 2.733 1.00 0.00 C ATOM 574 O ASN A 43 -12.257 -7.444 1.705 1.00 0.00 O ATOM 575 CB ASN A 43 -10.723 -5.284 1.237 1.00 0.00 C ATOM 576 CG ASN A 43 -9.593 -6.250 0.923 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.370 -5.796 1.082 1.00 0.00 O flip ATOM 578 ND2 ASN A 43 -9.814 -7.387 0.514 1.00 0.00 N flip ATOM 0 H ASN A 43 -9.879 -6.170 4.025 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.041 -4.683 2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.520 -5.420 0.506 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.359 -4.263 1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.775 -7.711 0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.037 -8.008 0.287 1.00 0.00 H new ATOM 584 N PRO A 44 -12.425 -7.285 3.932 1.00 0.00 N ATOM 585 CA PRO A 44 -13.102 -8.583 4.066 1.00 0.00 C ATOM 586 C PRO A 44 -14.474 -8.574 3.400 1.00 0.00 C ATOM 587 O PRO A 44 -15.039 -9.623 3.086 1.00 0.00 O ATOM 588 CB PRO A 44 -13.254 -8.779 5.580 1.00 0.00 C ATOM 589 CG PRO A 44 -12.393 -7.738 6.210 1.00 0.00 C ATOM 590 CD PRO A 44 -12.307 -6.606 5.228 1.00 0.00 C ATOM 0 HA PRO A 44 -12.537 -9.381 3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.294 -8.665 5.887 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.941 -9.779 5.879 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.820 -7.401 7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.403 -8.136 6.432 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.106 -5.880 5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.365 -6.065 5.316 1.00 0.00 H new ATOM 595 N ASN A 45 -14.999 -7.374 3.190 1.00 0.00 N ATOM 596 CA ASN A 45 -16.302 -7.193 2.564 1.00 0.00 C ATOM 597 C ASN A 45 -16.161 -7.109 1.051 1.00 0.00 C ATOM 598 O ASN A 45 -17.150 -7.122 0.319 1.00 0.00 O ATOM 599 CB ASN A 45 -16.966 -5.915 3.087 1.00 0.00 C ATOM 600 CG ASN A 45 -17.140 -5.921 4.596 1.00 0.00 C ATOM 601 OD1 ASN A 45 -17.328 -6.969 5.209 1.00 0.00 O ATOM 602 ND2 ASN A 45 -17.066 -4.746 5.203 1.00 0.00 N ATOM 0 H ASN A 45 -14.536 -6.502 3.447 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.924 -8.052 2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.364 -5.053 2.798 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.941 -5.797 2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.166 -4.688 6.216 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -16.909 -3.899 4.657 1.00 0.00 H new ATOM 608 N GLY A 46 -14.923 -7.026 0.583 1.00 0.00 N ATOM 609 CA GLY A 46 -14.682 -6.927 -0.836 1.00 0.00 C ATOM 610 C GLY A 46 -14.441 -5.502 -1.286 1.00 0.00 C ATOM 611 O GLY A 46 -14.374 -5.224 -2.481 1.00 0.00 O ATOM 0 H GLY A 46 -14.084 -7.026 1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.818 -7.538 -1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.537 -7.335 -1.376 1.00 0.00 H new ATOM 615 N PHE A 47 -14.326 -4.594 -0.331 1.00 0.00 N ATOM 616 CA PHE A 47 -14.087 -3.197 -0.645 1.00 0.00 C ATOM 617 C PHE A 47 -12.855 -2.695 0.090 1.00 0.00 C ATOM 618 O PHE A 47 -12.683 -2.955 1.279 1.00 0.00 O ATOM 619 CB PHE A 47 -15.308 -2.346 -0.300 1.00 0.00 C ATOM 620 CG PHE A 47 -16.527 -2.710 -1.097 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.532 -2.577 -2.478 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.664 -3.190 -0.469 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.652 -2.914 -3.215 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.786 -3.527 -1.200 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.780 -3.388 -2.575 1.00 0.00 C ATOM 0 H PHE A 47 -14.394 -4.799 0.666 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.910 -3.110 -1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.530 -2.455 0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.071 -1.296 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.652 -2.206 -2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.673 -3.302 0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.645 -2.807 -4.290 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.667 -3.899 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.657 -3.650 -3.148 1.00 0.00 H new ATOM 634 N LEU A 48 -12.018 -1.963 -0.623 1.00 0.00 N ATOM 635 CA LEU A 48 -10.778 -1.436 -0.069 1.00 0.00 C ATOM 636 C LEU A 48 -11.012 -0.132 0.686 1.00 0.00 C ATOM 637 O LEU A 48 -11.821 0.702 0.273 1.00 0.00 O ATOM 638 CB LEU A 48 -9.786 -1.195 -1.205 1.00 0.00 C ATOM 639 CG LEU A 48 -9.224 -2.454 -1.862 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.382 -2.088 -3.070 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.399 -3.246 -0.865 1.00 0.00 C ATOM 0 H LEU A 48 -12.175 -1.716 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.380 -2.166 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.276 -0.594 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.955 -0.605 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.057 -3.074 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.988 -2.996 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.997 -1.554 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.555 -1.451 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.005 -4.140 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.572 -2.632 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.026 -3.535 -0.022 1.00 0.00 H new ATOM 652 N GLY A 49 -10.303 0.034 1.794 1.00 0.00 N ATOM 653 CA GLY A 49 -10.432 1.240 2.579 1.00 0.00 C ATOM 654 C GLY A 49 -9.604 1.197 3.844 1.00 0.00 C ATOM 655 O GLY A 49 -9.093 0.140 4.223 1.00 0.00 O ATOM 0 H GLY A 49 -9.640 -0.648 2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.127 2.096 1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.480 1.391 2.839 1.00 0.00 H new ATOM 659 N TRP A 50 -9.477 2.346 4.492 1.00 0.00 N ATOM 660 CA TRP A 50 -8.712 2.453 5.724 1.00 0.00 C ATOM 661 C TRP A 50 -9.640 2.335 6.929 1.00 0.00 C ATOM 662 O TRP A 50 -10.717 2.937 6.958 1.00 0.00 O ATOM 663 CB TRP A 50 -7.958 3.788 5.785 1.00 0.00 C ATOM 664 CG TRP A 50 -6.922 3.963 4.708 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.116 4.476 3.457 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.530 3.632 4.790 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.928 4.487 2.760 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.944 3.969 3.555 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.721 3.084 5.787 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.590 3.774 3.292 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.378 2.888 5.524 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.825 3.232 4.287 1.00 0.00 C ATOM 0 H TRP A 50 -9.897 3.222 4.182 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.986 1.641 5.744 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.679 4.603 5.715 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.473 3.874 6.757 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.063 4.823 3.071 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.803 4.826 1.806 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.137 2.818 6.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.161 4.041 2.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.745 2.461 6.288 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.772 3.066 4.114 1.00 0.00 H new ATOM 682 N GLY A 51 -9.230 1.545 7.906 1.00 0.00 N ATOM 683 CA GLY A 51 -10.023 1.364 9.107 1.00 0.00 C ATOM 684 C GLY A 51 -9.866 -0.024 9.674 1.00 0.00 C ATOM 685 O GLY A 51 -9.571 -0.200 10.855 1.00 0.00 O ATOM 0 H GLY A 51 -8.355 1.021 7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.724 2.099 9.855 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.073 1.548 8.881 1.00 0.00 H new ATOM 689 N MET A 52 -10.073 -1.006 8.823 1.00 0.00 N ATOM 690 CA MET A 52 -9.935 -2.396 9.209 1.00 0.00 C ATOM 691 C MET A 52 -8.533 -2.841 8.818 1.00 0.00 C ATOM 692 O MET A 52 -7.833 -2.093 8.152 1.00 0.00 O ATOM 693 CB MET A 52 -11.013 -3.231 8.512 1.00 0.00 C ATOM 694 CG MET A 52 -11.211 -4.610 9.118 1.00 0.00 C ATOM 695 SD MET A 52 -12.686 -5.433 8.493 1.00 0.00 S ATOM 696 CE MET A 52 -13.963 -4.301 9.035 1.00 0.00 C ATOM 0 H MET A 52 -10.340 -0.866 7.849 1.00 0.00 H new ATOM 0 HA MET A 52 -10.069 -2.529 10.283 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.958 -2.690 8.549 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.750 -3.342 7.460 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.337 -5.226 8.905 1.00 0.00 H new ATOM 0 HG3 MET A 52 -11.281 -4.520 10.202 1.00 0.00 H new ATOM 0 HE1 MET A 52 -14.818 -4.867 9.405 1.00 0.00 H new ATOM 0 HE2 MET A 52 -13.574 -3.668 9.833 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.276 -3.677 8.198 1.00 0.00 H new ATOM 704 N GLN A 53 -8.110 -4.029 9.209 1.00 0.00 N ATOM 705 CA GLN A 53 -6.764 -4.471 8.879 1.00 0.00 C ATOM 706 C GLN A 53 -6.780 -5.787 8.126 1.00 0.00 C ATOM 707 O GLN A 53 -7.834 -6.415 7.972 1.00 0.00 O ATOM 708 CB GLN A 53 -5.926 -4.620 10.149 1.00 0.00 C ATOM 709 CG GLN A 53 -6.472 -5.649 11.122 1.00 0.00 C ATOM 710 CD GLN A 53 -5.550 -5.880 12.295 1.00 0.00 C ATOM 711 OE1 GLN A 53 -5.636 -5.196 13.311 1.00 0.00 O ATOM 712 NE2 GLN A 53 -4.659 -6.851 12.167 1.00 0.00 N ATOM 0 H GLN A 53 -8.665 -4.696 9.745 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.319 -3.712 8.235 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.909 -4.898 9.872 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.867 -3.654 10.650 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.444 -5.319 11.488 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.632 -6.591 10.598 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.620 -7.397 11.306 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.012 -7.053 12.929 1.00 0.00 H new ATOM 719 N ASN A 54 -5.595 -6.185 7.666 1.00 0.00 N ATOM 720 CA ASN A 54 -5.403 -7.434 6.946 1.00 0.00 C ATOM 721 C ASN A 54 -6.103 -7.417 5.593 1.00 0.00 C ATOM 722 O ASN A 54 -7.013 -8.203 5.338 1.00 0.00 O ATOM 723 CB ASN A 54 -5.879 -8.613 7.797 1.00 0.00 C ATOM 724 CG ASN A 54 -5.042 -8.807 9.053 1.00 0.00 C ATOM 725 OD1 ASN A 54 -5.542 -9.263 10.079 1.00 0.00 O ATOM 726 ND2 ASN A 54 -3.765 -8.460 8.986 1.00 0.00 N ATOM 0 H ASN A 54 -4.739 -5.644 7.785 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.337 -7.551 6.753 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.920 -8.455 8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.846 -9.524 7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.164 -8.568 9.803 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.383 -8.085 8.118 1.00 0.00 H new ATOM 732 N PHE A 55 -5.662 -6.519 4.723 1.00 0.00 N ATOM 733 CA PHE A 55 -6.230 -6.400 3.392 1.00 0.00 C ATOM 734 C PHE A 55 -5.531 -7.353 2.431 1.00 0.00 C ATOM 735 O PHE A 55 -6.160 -7.929 1.546 1.00 0.00 O ATOM 736 CB PHE A 55 -6.108 -4.960 2.872 1.00 0.00 C ATOM 737 CG PHE A 55 -4.735 -4.580 2.383 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.755 -4.188 3.273 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.432 -4.620 1.030 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.493 -3.840 2.828 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.174 -4.273 0.579 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.202 -3.884 1.480 1.00 0.00 C ATOM 0 H PHE A 55 -4.908 -5.860 4.919 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.286 -6.661 3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.820 -4.821 2.058 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.397 -4.275 3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.977 -4.153 4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.188 -4.926 0.322 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.736 -3.534 3.535 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.950 -4.306 -0.477 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.216 -3.615 1.130 1.00 0.00 H new ATOM 751 N SER A 56 -4.230 -7.524 2.631 1.00 0.00 N ATOM 752 CA SER A 56 -3.417 -8.383 1.786 1.00 0.00 C ATOM 753 C SER A 56 -3.867 -9.832 1.915 1.00 0.00 C ATOM 754 O SER A 56 -3.752 -10.624 0.978 1.00 0.00 O ATOM 755 CB SER A 56 -1.945 -8.235 2.191 1.00 0.00 C ATOM 756 OG SER A 56 -1.074 -8.878 1.279 1.00 0.00 O ATOM 0 H SER A 56 -3.711 -7.071 3.383 1.00 0.00 H new ATOM 0 HA SER A 56 -3.535 -8.087 0.744 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.690 -7.177 2.250 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.800 -8.654 3.187 1.00 0.00 H new ATOM 0 HG SER A 56 -0.171 -8.509 1.373 1.00 0.00 H new ATOM 761 N HIS A 57 -4.427 -10.151 3.070 1.00 0.00 N ATOM 762 CA HIS A 57 -4.894 -11.497 3.353 1.00 0.00 C ATOM 763 C HIS A 57 -6.216 -11.801 2.649 1.00 0.00 C ATOM 764 O HIS A 57 -6.631 -12.956 2.579 1.00 0.00 O ATOM 765 CB HIS A 57 -5.052 -11.693 4.861 1.00 0.00 C ATOM 766 CG HIS A 57 -3.748 -11.748 5.605 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.173 -10.649 6.218 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.909 -12.785 5.843 1.00 0.00 C ATOM 769 CE1 HIS A 57 -2.042 -11.013 6.798 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.859 -12.302 6.583 1.00 0.00 N ATOM 0 H HIS A 57 -4.570 -9.489 3.833 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.146 -12.191 2.970 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.655 -10.878 5.263 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.602 -12.616 5.042 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -3.561 -9.706 6.222 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.042 -13.804 5.511 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.380 -10.365 7.354 1.00 0.00 H new ATOM 778 N SER A 58 -6.871 -10.774 2.124 1.00 0.00 N ATOM 779 CA SER A 58 -8.141 -10.965 1.439 1.00 0.00 C ATOM 780 C SER A 58 -8.127 -10.322 0.057 1.00 0.00 C ATOM 781 O SER A 58 -9.169 -9.946 -0.474 1.00 0.00 O ATOM 782 CB SER A 58 -9.285 -10.395 2.279 1.00 0.00 C ATOM 783 OG SER A 58 -9.010 -9.062 2.679 1.00 0.00 O ATOM 0 H SER A 58 -6.547 -9.808 2.159 1.00 0.00 H new ATOM 0 HA SER A 58 -8.296 -12.036 1.308 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.211 -10.422 1.704 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.439 -11.018 3.160 1.00 0.00 H new ATOM 0 HG SER A 58 -9.757 -8.720 3.213 1.00 0.00 H new ATOM 788 N SER A 59 -6.950 -10.193 -0.530 1.00 0.00 N ATOM 789 CA SER A 59 -6.844 -9.596 -1.854 1.00 0.00 C ATOM 790 C SER A 59 -5.959 -10.431 -2.763 1.00 0.00 C ATOM 791 O SER A 59 -5.052 -11.126 -2.302 1.00 0.00 O ATOM 792 CB SER A 59 -6.308 -8.167 -1.772 1.00 0.00 C ATOM 793 OG SER A 59 -7.202 -7.321 -1.068 1.00 0.00 O ATOM 0 H SER A 59 -6.064 -10.488 -0.120 1.00 0.00 H new ATOM 0 HA SER A 59 -7.847 -9.567 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.338 -8.168 -1.275 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.151 -7.777 -2.778 1.00 0.00 H new ATOM 0 HG SER A 59 -7.017 -7.376 -0.107 1.00 0.00 H new ATOM 798 N GLU A 60 -6.243 -10.363 -4.053 1.00 0.00 N ATOM 799 CA GLU A 60 -5.489 -11.098 -5.055 1.00 0.00 C ATOM 800 C GLU A 60 -4.844 -10.134 -6.044 1.00 0.00 C ATOM 801 O GLU A 60 -5.490 -9.189 -6.502 1.00 0.00 O ATOM 802 CB GLU A 60 -6.412 -12.072 -5.787 1.00 0.00 C ATOM 803 CG GLU A 60 -6.959 -13.169 -4.889 1.00 0.00 C ATOM 804 CD GLU A 60 -8.067 -13.969 -5.539 1.00 0.00 C ATOM 805 OE1 GLU A 60 -7.803 -14.685 -6.525 1.00 0.00 O ATOM 806 OE2 GLU A 60 -9.210 -13.905 -5.045 1.00 0.00 O ATOM 0 H GLU A 60 -7.001 -9.798 -4.435 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.699 -11.663 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.244 -11.517 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.867 -12.527 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.148 -13.842 -4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.333 -12.723 -3.967 1.00 0.00 H new ATOM 811 N ASP A 61 -3.568 -10.376 -6.337 1.00 0.00 N ATOM 812 CA ASP A 61 -2.784 -9.560 -7.267 1.00 0.00 C ATOM 813 C ASP A 61 -2.684 -8.120 -6.777 1.00 0.00 C ATOM 814 O ASP A 61 -3.462 -7.251 -7.173 1.00 0.00 O ATOM 815 CB ASP A 61 -3.363 -9.602 -8.684 1.00 0.00 C ATOM 816 CG ASP A 61 -2.504 -8.839 -9.672 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.306 -9.173 -9.806 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.016 -7.897 -10.313 1.00 0.00 O ATOM 0 H ASP A 61 -3.043 -11.151 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.781 -9.986 -7.304 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.454 -10.639 -9.008 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.368 -9.181 -8.677 1.00 0.00 H new ATOM 822 N ILE A 62 -1.717 -7.883 -5.909 1.00 0.00 N ATOM 823 CA ILE A 62 -1.502 -6.564 -5.333 1.00 0.00 C ATOM 824 C ILE A 62 -0.337 -5.851 -6.016 1.00 0.00 C ATOM 825 O ILE A 62 0.802 -6.317 -5.972 1.00 0.00 O ATOM 826 CB ILE A 62 -1.231 -6.676 -3.818 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.407 -7.379 -3.132 1.00 0.00 C ATOM 828 CG2 ILE A 62 -0.994 -5.301 -3.213 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.197 -7.644 -1.658 1.00 0.00 C ATOM 0 H ILE A 62 -1.061 -8.593 -5.584 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.407 -5.978 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.330 -7.269 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.302 -6.770 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.594 -8.327 -3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.805 -5.401 -2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.132 -4.836 -3.692 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.875 -4.678 -3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.075 -8.144 -1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.322 -8.280 -1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.042 -6.699 -1.137 1.00 0.00 H new ATOM 840 N LYS A 63 -0.626 -4.719 -6.646 1.00 0.00 N ATOM 841 CA LYS A 63 0.398 -3.951 -7.338 1.00 0.00 C ATOM 842 C LYS A 63 0.099 -2.457 -7.215 1.00 0.00 C ATOM 843 O LYS A 63 -1.055 -2.056 -7.106 1.00 0.00 O ATOM 844 CB LYS A 63 0.451 -4.387 -8.807 1.00 0.00 C ATOM 845 CG LYS A 63 1.756 -4.053 -9.513 1.00 0.00 C ATOM 846 CD LYS A 63 1.719 -2.689 -10.177 1.00 0.00 C ATOM 847 CE LYS A 63 3.072 -2.324 -10.766 1.00 0.00 C ATOM 848 NZ LYS A 63 3.527 -3.322 -11.770 1.00 0.00 N ATOM 0 H LYS A 63 -1.561 -4.314 -6.691 1.00 0.00 H new ATOM 0 HA LYS A 63 1.372 -4.137 -6.885 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.288 -5.463 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.371 -3.913 -9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.574 -4.082 -8.793 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.965 -4.815 -10.264 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.965 -2.686 -10.964 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.422 -1.935 -9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.011 -1.341 -11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.809 -2.252 -9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.363 -2.956 -12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.772 -4.211 -11.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.765 -3.498 -12.455 1.00 0.00 H new ATOM 858 N LEU A 64 1.142 -1.640 -7.222 1.00 0.00 N ATOM 859 CA LEU A 64 0.991 -0.194 -7.101 1.00 0.00 C ATOM 860 C LEU A 64 0.668 0.448 -8.447 1.00 0.00 C ATOM 861 O LEU A 64 1.417 0.320 -9.411 1.00 0.00 O ATOM 862 CB LEU A 64 2.264 0.403 -6.510 1.00 0.00 C ATOM 863 CG LEU A 64 2.518 0.016 -5.054 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.959 0.296 -4.665 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.571 0.762 -4.135 1.00 0.00 C ATOM 0 H LEU A 64 2.108 -1.954 -7.311 1.00 0.00 H new ATOM 0 HA LEU A 64 0.153 0.012 -6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.115 0.086 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.210 1.489 -6.582 1.00 0.00 H new ATOM 0 HG LEU A 64 2.336 -1.054 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.117 0.013 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.627 -0.282 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.169 1.359 -4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.765 0.475 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.724 1.835 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.542 0.513 -4.393 1.00 0.00 H new ATOM 876 N GLU A 65 -0.455 1.161 -8.478 1.00 0.00 N ATOM 877 CA GLU A 65 -0.938 1.816 -9.688 1.00 0.00 C ATOM 878 C GLU A 65 -0.186 3.115 -9.974 1.00 0.00 C ATOM 879 O GLU A 65 0.474 3.242 -11.004 1.00 0.00 O ATOM 880 CB GLU A 65 -2.438 2.092 -9.559 1.00 0.00 C ATOM 881 CG GLU A 65 -3.025 2.852 -10.733 1.00 0.00 C ATOM 882 CD GLU A 65 -4.521 3.020 -10.627 1.00 0.00 C ATOM 883 OE1 GLU A 65 -5.260 2.068 -10.950 1.00 0.00 O ATOM 884 OE2 GLU A 65 -4.970 4.106 -10.221 1.00 0.00 O ATOM 0 H GLU A 65 -1.055 1.300 -7.665 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.757 1.145 -10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.964 1.143 -9.453 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.616 2.659 -8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.557 3.834 -10.796 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.787 2.326 -11.657 1.00 0.00 H new ATOM 889 N GLU A 66 -0.283 4.074 -9.056 1.00 0.00 N ATOM 890 CA GLU A 66 0.379 5.372 -9.210 1.00 0.00 C ATOM 891 C GLU A 66 1.852 5.289 -8.854 1.00 0.00 C ATOM 892 O GLU A 66 2.421 6.216 -8.278 1.00 0.00 O ATOM 893 CB GLU A 66 -0.305 6.404 -8.327 1.00 0.00 C ATOM 894 CG GLU A 66 -1.763 6.584 -8.663 1.00 0.00 C ATOM 895 CD GLU A 66 -1.977 7.352 -9.950 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.652 8.557 -9.985 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.474 6.759 -10.927 1.00 0.00 O ATOM 0 H GLU A 66 -0.816 3.978 -8.192 1.00 0.00 H new ATOM 0 HA GLU A 66 0.301 5.670 -10.256 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.212 6.102 -7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.208 7.360 -8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.236 5.605 -8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.258 7.108 -7.845 1.00 0.00 H new ATOM 902 N GLY A 67 2.443 4.156 -9.167 1.00 0.00 N ATOM 903 CA GLY A 67 3.849 3.936 -8.893 1.00 0.00 C ATOM 904 C GLY A 67 4.153 3.896 -7.409 1.00 0.00 C ATOM 905 O GLY A 67 5.316 3.924 -7.009 1.00 0.00 O ATOM 0 H GLY A 67 1.971 3.370 -9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.162 2.997 -9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.435 4.728 -9.359 1.00 0.00 H new ATOM 909 N GLY A 68 3.107 3.847 -6.593 1.00 0.00 N ATOM 910 CA GLY A 68 3.299 3.802 -5.163 1.00 0.00 C ATOM 911 C GLY A 68 2.339 4.694 -4.411 1.00 0.00 C ATOM 912 O GLY A 68 2.162 4.535 -3.208 1.00 0.00 O ATOM 0 H GLY A 68 2.134 3.838 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.179 2.775 -4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.321 4.099 -4.930 1.00 0.00 H new ATOM 916 N ARG A 69 1.709 5.634 -5.105 1.00 0.00 N ATOM 917 CA ARG A 69 0.771 6.539 -4.449 1.00 0.00 C ATOM 918 C ARG A 69 -0.601 5.896 -4.324 1.00 0.00 C ATOM 919 O ARG A 69 -1.485 6.411 -3.640 1.00 0.00 O ATOM 920 CB ARG A 69 0.654 7.858 -5.209 1.00 0.00 C ATOM 921 CG ARG A 69 1.992 8.478 -5.556 1.00 0.00 C ATOM 922 CD ARG A 69 1.921 9.990 -5.541 1.00 0.00 C ATOM 923 NE ARG A 69 3.126 10.602 -6.096 1.00 0.00 N ATOM 924 CZ ARG A 69 3.470 11.879 -5.917 1.00 0.00 C ATOM 925 NH1 ARG A 69 2.710 12.686 -5.183 1.00 0.00 N ATOM 926 NH2 ARG A 69 4.576 12.350 -6.472 1.00 0.00 N ATOM 0 H ARG A 69 1.827 5.789 -6.106 1.00 0.00 H new ATOM 0 HA ARG A 69 1.159 6.746 -3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.092 7.690 -6.127 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.080 8.564 -4.609 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.746 8.141 -4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.308 8.137 -6.542 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.052 10.317 -6.112 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.778 10.336 -4.517 1.00 0.00 H new ATOM 0 HE ARG A 69 3.744 10.015 -6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.857 12.330 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.980 13.661 -5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.165 11.737 -7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.839 13.326 -6.336 1.00 0.00 H new ATOM 937 N LYS A 70 -0.773 4.762 -4.984 1.00 0.00 N ATOM 938 CA LYS A 70 -2.035 4.050 -4.947 1.00 0.00 C ATOM 939 C LYS A 70 -1.795 2.561 -5.108 1.00 0.00 C ATOM 940 O LYS A 70 -0.977 2.140 -5.928 1.00 0.00 O ATOM 941 CB LYS A 70 -2.976 4.563 -6.037 1.00 0.00 C ATOM 942 CG LYS A 70 -4.404 4.073 -5.875 1.00 0.00 C ATOM 943 CD LYS A 70 -5.379 4.939 -6.643 1.00 0.00 C ATOM 944 CE LYS A 70 -6.815 4.618 -6.265 1.00 0.00 C ATOM 945 NZ LYS A 70 -7.768 5.622 -6.802 1.00 0.00 N ATOM 0 H LYS A 70 -0.052 4.316 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.508 4.227 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.970 5.653 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.599 4.249 -7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.478 3.043 -6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.671 4.072 -4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.173 5.990 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.239 4.787 -7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.078 3.630 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.904 4.578 -5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.736 5.366 -6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.534 6.561 -6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.702 5.643 -7.840 1.00 0.00 H new ATOM 955 N LEU A 71 -2.507 1.777 -4.325 1.00 0.00 N ATOM 956 CA LEU A 71 -2.374 0.332 -4.355 1.00 0.00 C ATOM 957 C LEU A 71 -3.594 -0.288 -5.019 1.00 0.00 C ATOM 958 O LEU A 71 -4.730 -0.006 -4.638 1.00 0.00 O ATOM 959 CB LEU A 71 -2.198 -0.192 -2.923 1.00 0.00 C ATOM 960 CG LEU A 71 -1.959 -1.699 -2.770 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.132 -1.973 -1.525 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.276 -2.456 -2.684 1.00 0.00 C ATOM 0 H LEU A 71 -3.192 2.120 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.496 0.054 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.359 0.334 -2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.088 0.072 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.418 -2.045 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.968 -3.046 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.171 -1.465 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.663 -1.604 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.076 -3.522 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.843 -2.104 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.854 -2.285 -3.592 1.00 0.00 H new ATOM 973 N THR A 72 -3.357 -1.108 -6.023 1.00 0.00 N ATOM 974 CA THR A 72 -4.436 -1.766 -6.733 1.00 0.00 C ATOM 975 C THR A 72 -4.358 -3.275 -6.565 1.00 0.00 C ATOM 976 O THR A 72 -3.294 -3.878 -6.730 1.00 0.00 O ATOM 977 CB THR A 72 -4.431 -1.406 -8.228 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.086 -1.360 -8.726 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.119 -0.070 -8.457 1.00 0.00 C ATOM 0 H THR A 72 -2.424 -1.335 -6.367 1.00 0.00 H new ATOM 0 HA THR A 72 -5.370 -1.410 -6.298 1.00 0.00 H new ATOM 0 HB THR A 72 -4.980 -2.177 -8.769 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.510 -1.922 -8.166 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.106 0.168 -9.521 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.151 -0.128 -8.111 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.594 0.709 -7.904 1.00 0.00 H new ATOM 987 N CYS A 73 -5.486 -3.870 -6.232 1.00 0.00 N ATOM 988 CA CYS A 73 -5.575 -5.304 -6.026 1.00 0.00 C ATOM 989 C CYS A 73 -7.024 -5.733 -6.149 1.00 0.00 C ATOM 990 O CYS A 73 -7.909 -4.898 -6.329 1.00 0.00 O ATOM 991 CB CYS A 73 -5.040 -5.672 -4.641 1.00 0.00 C ATOM 992 SG CYS A 73 -5.921 -4.885 -3.271 1.00 0.00 S ATOM 0 H CYS A 73 -6.367 -3.374 -6.096 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.975 -5.816 -6.778 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.094 -6.754 -4.519 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.987 -5.397 -4.586 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.395 -5.262 -2.143 1.00 0.00 H new ATOM 997 N ARG A 74 -7.278 -7.022 -6.082 1.00 0.00 N ATOM 998 CA ARG A 74 -8.641 -7.501 -6.162 1.00 0.00 C ATOM 999 C ARG A 74 -9.114 -7.984 -4.800 1.00 0.00 C ATOM 1000 O ARG A 74 -8.781 -9.091 -4.373 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.775 -8.612 -7.200 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.178 -9.180 -7.284 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.222 -10.459 -8.097 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.582 -10.978 -8.206 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.945 -12.211 -7.851 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.058 -13.052 -7.330 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.205 -12.597 -8.001 1.00 0.00 N ATOM 0 H ARG A 74 -6.570 -7.748 -5.974 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.272 -6.670 -6.477 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.487 -8.225 -8.177 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.078 -9.414 -6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.551 -9.376 -6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.842 -8.442 -7.733 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.822 -10.272 -9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.582 -11.209 -7.632 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.301 -10.357 -8.578 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.091 -12.756 -7.199 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.344 -13.993 -7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.894 -11.951 -8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.485 -13.540 -7.730 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.865 -7.135 -4.089 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.412 -7.473 -2.779 1.00 0.00 C ATOM 1020 C PRO A 75 -11.491 -8.528 -2.911 1.00 0.00 C ATOM 1021 O PRO A 75 -12.432 -8.361 -3.692 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.017 -6.158 -2.292 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.329 -5.409 -3.536 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.250 -5.780 -4.513 1.00 0.00 C ATOM 0 HA PRO A 75 -9.663 -7.878 -2.099 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.914 -6.330 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.317 -5.608 -1.663 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.314 -5.678 -3.919 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.340 -4.334 -3.354 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.615 -5.768 -5.540 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.409 -5.089 -4.466 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.339 -9.621 -2.184 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.301 -10.701 -2.231 1.00 0.00 C ATOM 1031 C LYS A 76 -12.906 -10.966 -0.861 1.00 0.00 C ATOM 1032 O LYS A 76 -12.213 -10.923 0.155 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.647 -11.964 -2.801 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.281 -12.284 -2.204 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.354 -13.368 -1.143 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.618 -14.733 -1.758 1.00 0.00 C ATOM 1037 NZ LYS A 76 -9.542 -15.143 -2.702 1.00 0.00 N ATOM 0 H LYS A 76 -10.554 -9.782 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.117 -10.405 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.312 -12.811 -2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.542 -11.850 -3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.605 -12.601 -2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.857 -11.380 -1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.419 -13.395 -0.584 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.144 -13.129 -0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.706 -15.476 -0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.572 -14.714 -2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.470 -16.180 -2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.768 -14.798 -3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.636 -14.738 -2.393 1.00 0.00 H new ATOM 1047 N THR A 77 -14.208 -11.234 -0.839 1.00 0.00 N ATOM 1048 CA THR A 77 -14.898 -11.511 0.404 1.00 0.00 C ATOM 1049 C THR A 77 -14.516 -12.895 0.897 1.00 0.00 C ATOM 1050 O THR A 77 -14.470 -13.849 0.114 1.00 0.00 O ATOM 1051 CB THR A 77 -16.436 -11.425 0.255 1.00 0.00 C ATOM 1052 OG1 THR A 77 -17.054 -11.536 1.538 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.979 -12.528 -0.649 1.00 0.00 C ATOM 0 H THR A 77 -14.800 -11.264 -1.669 1.00 0.00 H new ATOM 0 HA THR A 77 -14.594 -10.751 1.124 1.00 0.00 H new ATOM 0 HB THR A 77 -16.667 -10.461 -0.198 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.559 -10.995 2.188 1.00 0.00 H new ATOM 0 HG21 THR A 77 -18.062 -12.433 -0.728 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.533 -12.439 -1.640 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.730 -13.501 -0.226 1.00 0.00 H new ATOM 1061 N VAL A 78 -14.241 -12.991 2.186 1.00 0.00 N ATOM 1062 CA VAL A 78 -13.846 -14.249 2.802 1.00 0.00 C ATOM 1063 C VAL A 78 -15.042 -15.175 3.000 1.00 0.00 C ATOM 1064 O VAL A 78 -14.880 -16.343 3.359 1.00 0.00 O ATOM 1065 CB VAL A 78 -13.149 -14.015 4.157 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -11.854 -13.245 3.958 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -14.073 -13.282 5.120 1.00 0.00 C ATOM 0 H VAL A 78 -14.284 -12.204 2.834 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.143 -14.726 2.119 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.909 -14.984 4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.373 -13.087 4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.188 -13.814 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.071 -12.281 3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.561 -13.128 6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.349 -12.317 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.972 -13.876 5.285 1.00 0.00 H new ATOM 1077 N ASP A 79 -16.240 -14.648 2.770 1.00 0.00 N ATOM 1078 CA ASP A 79 -17.459 -15.435 2.915 1.00 0.00 C ATOM 1079 C ASP A 79 -17.543 -16.503 1.836 1.00 0.00 C ATOM 1080 O ASP A 79 -18.119 -17.568 2.049 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.702 -14.544 2.856 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.848 -13.669 4.083 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.420 -14.138 5.089 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -18.398 -12.511 4.049 1.00 0.00 O ATOM 0 H ASP A 79 -16.393 -13.681 2.483 1.00 0.00 H new ATOM 0 HA ASP A 79 -17.423 -15.918 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.651 -13.914 1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -19.589 -15.169 2.752 1.00 0.00 H new ATOM 1088 N GLY A 80 -16.967 -16.212 0.677 1.00 0.00 N ATOM 1089 CA GLY A 80 -16.981 -17.170 -0.414 1.00 0.00 C ATOM 1090 C GLY A 80 -15.727 -17.125 -1.268 1.00 0.00 C ATOM 1091 O GLY A 80 -15.437 -18.071 -1.999 1.00 0.00 O ATOM 0 H GLY A 80 -16.492 -15.333 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.098 -18.174 -0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.849 -16.979 -1.045 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.989 -16.024 -1.194 1.00 0.00 N ATOM 1096 CA GLY A 81 -13.774 -15.888 -1.972 1.00 0.00 C ATOM 1097 C GLY A 81 -14.027 -15.206 -3.295 1.00 0.00 C ATOM 1098 O GLY A 81 -13.180 -15.219 -4.185 1.00 0.00 O ATOM 0 H GLY A 81 -15.212 -15.221 -0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.041 -15.316 -1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.343 -16.874 -2.148 1.00 0.00 H new ATOM 1102 N PHE A 82 -15.194 -14.598 -3.412 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.601 -13.924 -4.642 1.00 0.00 C ATOM 1104 C PHE A 82 -15.664 -12.427 -4.421 1.00 0.00 C ATOM 1105 O PHE A 82 -15.808 -12.002 -3.280 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.968 -14.445 -5.100 1.00 0.00 C ATOM 1107 CG PHE A 82 -18.028 -14.385 -4.034 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.813 -13.254 -3.873 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -18.229 -15.461 -3.185 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.777 -13.200 -2.884 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -19.192 -15.412 -2.197 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.964 -14.281 -2.044 1.00 0.00 C ATOM 0 H PHE A 82 -15.886 -14.555 -2.664 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.865 -14.134 -5.418 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.298 -13.864 -5.961 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.860 -15.477 -5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.670 -12.406 -4.527 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.625 -16.349 -3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -20.383 -12.314 -2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -19.340 -16.260 -1.544 1.00 0.00 H new ATOM 0 HZ PHE A 82 -20.714 -14.240 -1.268 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.560 -11.637 -5.502 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.641 -10.176 -5.410 1.00 0.00 C ATOM 1123 C ARG A 83 -15.176 -9.490 -6.690 1.00 0.00 C ATOM 1124 O ARG A 83 -15.149 -10.095 -7.762 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.806 -9.658 -4.262 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.516 -8.642 -3.389 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.594 -9.285 -2.532 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.848 -9.457 -3.259 1.00 0.00 N ATOM 1129 CZ ARG A 83 -19.040 -9.079 -2.794 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -19.139 -8.463 -1.620 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.128 -9.309 -3.514 1.00 0.00 N ATOM 0 H ARG A 83 -15.420 -11.989 -6.449 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.693 -9.941 -5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.497 -10.500 -3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.898 -9.206 -4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.789 -8.145 -2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.963 -7.873 -4.018 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.245 -10.255 -2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.769 -8.670 -1.650 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.811 -9.893 -4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.301 -8.277 -1.069 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -20.053 -8.176 -1.270 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.052 -9.773 -4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.042 -9.022 -3.163 1.00 0.00 H new ATOM 1142 N GLU A 84 -14.779 -8.226 -6.542 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.349 -7.399 -7.662 1.00 0.00 C ATOM 1144 C GLU A 84 -12.944 -6.870 -7.421 1.00 0.00 C ATOM 1145 O GLU A 84 -12.363 -7.098 -6.365 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.292 -6.199 -7.796 1.00 0.00 C ATOM 1147 CG GLU A 84 -16.753 -6.556 -7.995 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.025 -7.168 -9.351 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -16.867 -6.459 -10.369 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -17.399 -8.357 -9.414 1.00 0.00 O ATOM 0 H GLU A 84 -14.748 -7.749 -5.641 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.363 -8.006 -8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.202 -5.583 -6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.964 -5.589 -8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.061 -7.255 -7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.361 -5.659 -7.877 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.405 -6.158 -8.400 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.083 -5.564 -8.267 1.00 0.00 C ATOM 1157 C ARG A 85 -11.250 -4.098 -7.889 1.00 0.00 C ATOM 1158 O ARG A 85 -12.283 -3.498 -8.193 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.281 -5.709 -9.562 1.00 0.00 C ATOM 1160 CG ARG A 85 -8.840 -5.243 -9.440 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.008 -5.674 -10.633 1.00 0.00 C ATOM 1162 NE ARG A 85 -6.627 -5.204 -10.530 1.00 0.00 N ATOM 1163 CZ ARG A 85 -5.580 -6.000 -10.311 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -5.743 -7.307 -10.168 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -4.359 -5.488 -10.241 1.00 0.00 N ATOM 0 H ARG A 85 -12.862 -5.978 -9.294 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.525 -6.083 -7.488 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.291 -6.754 -9.871 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -10.773 -5.139 -10.350 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.815 -4.157 -9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.403 -5.647 -8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.017 -6.761 -10.709 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.456 -5.287 -11.548 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.454 -4.204 -10.632 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.677 -7.714 -10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.935 -7.906 -10.001 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.220 -4.484 -10.355 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.559 -6.098 -10.073 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.255 -3.515 -7.237 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.364 -2.122 -6.806 1.00 0.00 C ATOM 1178 C GLN A 86 -8.990 -1.523 -6.486 1.00 0.00 C ATOM 1179 O GLN A 86 -7.982 -2.228 -6.468 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.283 -2.066 -5.573 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.699 -0.667 -5.145 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.632 -0.677 -3.946 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.455 -1.708 -3.838 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -12.614 0.234 -3.124 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.376 -3.972 -6.996 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.787 -1.527 -7.616 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.181 -2.648 -5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.776 -2.549 -4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.809 -0.085 -4.904 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.191 -0.167 -5.979 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.966 1.013 -3.240 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.247 0.212 -2.325 1.00 0.00 H new ATOM 1191 N GLY A 87 -8.959 -0.217 -6.255 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.726 0.459 -5.915 1.00 0.00 C ATOM 1193 C GLY A 87 -7.909 1.402 -4.744 1.00 0.00 C ATOM 1194 O GLY A 87 -8.912 2.110 -4.662 1.00 0.00 O ATOM 0 H GLY A 87 -9.777 0.391 -6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.961 -0.279 -5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.367 1.017 -6.779 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.944 1.408 -3.842 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.995 2.260 -2.664 1.00 0.00 C ATOM 1200 C ILE A 88 -5.820 3.238 -2.672 1.00 0.00 C ATOM 1201 O ILE A 88 -4.681 2.862 -2.961 1.00 0.00 O ATOM 1202 CB ILE A 88 -6.999 1.426 -1.360 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -7.007 2.342 -0.133 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.810 0.473 -1.318 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.069 1.598 1.182 1.00 0.00 C ATOM 0 H ILE A 88 -6.108 0.827 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.927 2.824 -2.696 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.909 0.827 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.110 2.962 -0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.861 3.016 -0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.836 -0.101 -0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.859 -0.207 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.883 1.045 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.071 2.313 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.979 0.999 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.201 0.944 1.272 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.109 4.495 -2.375 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.088 5.534 -2.370 1.00 0.00 C ATOM 1218 C ASP A 89 -4.213 5.441 -1.128 1.00 0.00 C ATOM 1219 O ASP A 89 -4.712 5.261 -0.015 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.724 6.922 -2.449 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.519 7.134 -3.720 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -7.714 6.774 -3.747 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -5.953 7.663 -4.699 1.00 0.00 O ATOM 0 H ASP A 89 -7.044 4.822 -2.133 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.462 5.380 -3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.378 7.066 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.942 7.679 -2.385 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.908 5.596 -1.322 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.951 5.513 -0.227 1.00 0.00 C ATOM 1229 C LEU A 90 -1.427 6.884 0.157 1.00 0.00 C ATOM 1230 O LEU A 90 -0.242 7.060 0.448 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.787 4.626 -0.622 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.179 3.260 -1.153 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.068 2.490 -1.504 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.022 2.507 -0.135 1.00 0.00 C ATOM 0 H LEU A 90 -2.488 5.781 -2.233 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.468 5.088 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.198 5.140 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.141 4.491 0.245 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.786 3.380 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.207 1.507 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.628 3.032 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.686 2.373 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.292 1.530 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.451 2.376 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.928 3.074 0.078 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.319 7.851 0.169 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.960 9.220 0.532 1.00 0.00 C ATOM 1247 C ASN A 91 -1.745 9.328 2.036 1.00 0.00 C ATOM 1248 O ASN A 91 -1.371 10.378 2.553 1.00 0.00 O ATOM 1249 CB ASN A 91 -3.036 10.212 0.078 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.905 10.584 -1.389 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -3.588 9.853 -2.259 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -2.198 11.530 -1.736 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.303 7.722 -0.068 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.030 9.472 0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.021 9.779 0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.972 11.115 0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.688 12.069 -1.036 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.123 11.775 -2.723 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.974 8.220 2.725 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.807 8.160 4.166 1.00 0.00 C ATOM 1260 C ARG A 92 -0.404 7.708 4.526 1.00 0.00 C ATOM 1261 O ARG A 92 -0.018 7.710 5.690 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.816 7.194 4.778 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.251 7.669 4.710 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.071 7.030 5.811 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.751 7.592 7.118 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.653 7.849 8.057 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.947 7.695 7.799 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.259 8.294 9.242 1.00 0.00 N ATOM 0 H ARG A 92 -2.279 7.343 2.302 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.973 9.161 4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.738 6.234 4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.551 7.023 5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.286 8.754 4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.678 7.420 3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.132 7.172 5.604 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.890 5.955 5.823 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.774 7.800 7.323 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.249 7.379 6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.638 7.893 8.522 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.267 8.437 9.429 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.948 8.493 9.967 1.00 0.00 H new ATOM 1279 N ILE A 93 0.357 7.307 3.525 1.00 0.00 N ATOM 1280 CA ILE A 93 1.710 6.840 3.752 1.00 0.00 C ATOM 1281 C ILE A 93 2.700 7.903 3.299 1.00 0.00 C ATOM 1282 O ILE A 93 2.795 8.211 2.108 1.00 0.00 O ATOM 1283 CB ILE A 93 1.973 5.506 3.012 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.822 4.528 3.253 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.282 4.877 3.475 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.564 4.248 4.722 1.00 0.00 C ATOM 0 H ILE A 93 0.061 7.296 2.549 1.00 0.00 H new ATOM 0 HA ILE A 93 1.839 6.658 4.819 1.00 0.00 H new ATOM 0 HB ILE A 93 2.045 5.722 1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.086 4.929 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.041 3.589 2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.445 3.941 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.106 5.560 3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.232 4.680 4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.265 3.547 4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.458 3.817 5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.313 5.179 5.231 1.00 0.00 H new ATOM 1297 N GLN A 94 3.404 8.491 4.255 1.00 0.00 N ATOM 1298 CA GLN A 94 4.373 9.530 3.956 1.00 0.00 C ATOM 1299 C GLN A 94 5.692 9.283 4.670 1.00 0.00 C ATOM 1300 O GLN A 94 5.756 8.544 5.645 1.00 0.00 O ATOM 1301 CB GLN A 94 3.815 10.896 4.346 1.00 0.00 C ATOM 1302 CG GLN A 94 2.646 11.331 3.484 1.00 0.00 C ATOM 1303 CD GLN A 94 2.622 12.822 3.264 1.00 0.00 C ATOM 1304 OE1 GLN A 94 1.970 13.571 3.989 1.00 0.00 O ATOM 1305 NE2 GLN A 94 3.370 13.262 2.269 1.00 0.00 N ATOM 0 H GLN A 94 3.321 8.264 5.246 1.00 0.00 H new ATOM 0 HA GLN A 94 4.563 9.511 2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.499 10.868 5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.608 11.640 4.273 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.700 10.824 2.520 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.714 11.020 3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.894 12.602 1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.424 14.262 2.075 1.00 0.00 H new ATOM 1312 N ASN A 95 6.745 9.895 4.160 1.00 0.00 N ATOM 1313 CA ASN A 95 8.068 9.763 4.739 1.00 0.00 C ATOM 1314 C ASN A 95 8.427 11.029 5.503 1.00 0.00 C ATOM 1315 O ASN A 95 8.221 12.138 5.011 1.00 0.00 O ATOM 1316 CB ASN A 95 9.122 9.471 3.653 1.00 0.00 C ATOM 1317 CG ASN A 95 9.121 10.475 2.505 1.00 0.00 C ATOM 1318 OD1 ASN A 95 8.079 11.005 2.117 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.296 10.741 1.952 1.00 0.00 N ATOM 0 H ASN A 95 6.707 10.495 3.336 1.00 0.00 H new ATOM 0 HA ASN A 95 8.059 8.920 5.430 1.00 0.00 H new ATOM 0 HB2 ASN A 95 10.110 9.461 4.113 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.948 8.473 3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.358 11.404 1.179 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.139 10.283 2.299 1.00 0.00 H new ATOM 1325 N VAL A 96 8.954 10.866 6.711 1.00 0.00 N ATOM 1326 CA VAL A 96 9.325 12.002 7.535 1.00 0.00 C ATOM 1327 C VAL A 96 10.827 12.005 7.731 1.00 0.00 C ATOM 1328 O VAL A 96 11.356 11.186 8.469 1.00 0.00 O ATOM 1329 CB VAL A 96 8.624 11.963 8.913 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.981 13.193 9.732 1.00 0.00 C ATOM 1331 CG2 VAL A 96 7.115 11.855 8.745 1.00 0.00 C ATOM 0 H VAL A 96 9.133 9.957 7.138 1.00 0.00 H new ATOM 0 HA VAL A 96 9.006 12.911 7.024 1.00 0.00 H new ATOM 0 HB VAL A 96 8.975 11.080 9.448 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.478 13.146 10.698 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.059 13.227 9.886 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.662 14.089 9.200 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.641 11.829 9.726 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.748 12.717 8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.874 10.942 8.201 1.00 0.00 H new ATOM 1341 N ASN A 97 11.513 12.904 7.039 1.00 0.00 N ATOM 1342 CA ASN A 97 12.970 12.994 7.125 1.00 0.00 C ATOM 1343 C ASN A 97 13.624 11.701 6.643 1.00 0.00 C ATOM 1344 O ASN A 97 14.723 11.356 7.071 1.00 0.00 O ATOM 1345 CB ASN A 97 13.427 13.309 8.555 1.00 0.00 C ATOM 1346 CG ASN A 97 13.380 14.787 8.884 1.00 0.00 C ATOM 1347 OD1 ASN A 97 14.372 15.499 8.738 1.00 0.00 O ATOM 1348 ND2 ASN A 97 12.235 15.263 9.328 1.00 0.00 N ATOM 0 H ASN A 97 11.086 13.584 6.410 1.00 0.00 H new ATOM 0 HA ASN A 97 13.284 13.812 6.476 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.796 12.766 9.259 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.445 12.945 8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.151 16.252 9.563 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.433 14.643 9.437 1.00 0.00 H new ATOM 1354 N GLY A 98 12.937 10.984 5.761 1.00 0.00 N ATOM 1355 CA GLY A 98 13.480 9.753 5.226 1.00 0.00 C ATOM 1356 C GLY A 98 12.719 8.498 5.627 1.00 0.00 C ATOM 1357 O GLY A 98 12.586 7.581 4.820 1.00 0.00 O ATOM 0 H GLY A 98 12.014 11.235 5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.495 9.821 4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.515 9.655 5.554 1.00 0.00 H new ATOM 1361 N ARG A 99 12.196 8.448 6.848 1.00 0.00 N ATOM 1362 CA ARG A 99 11.491 7.245 7.307 1.00 0.00 C ATOM 1363 C ARG A 99 10.021 7.244 6.929 1.00 0.00 C ATOM 1364 O ARG A 99 9.343 8.258 7.019 1.00 0.00 O ATOM 1365 CB ARG A 99 11.630 7.041 8.817 1.00 0.00 C ATOM 1366 CG ARG A 99 11.158 8.195 9.685 1.00 0.00 C ATOM 1367 CD ARG A 99 12.318 9.089 10.087 1.00 0.00 C ATOM 1368 NE ARG A 99 13.430 8.338 10.665 1.00 0.00 N ATOM 1369 CZ ARG A 99 14.572 8.894 11.061 1.00 0.00 C ATOM 1370 NH1 ARG A 99 14.749 10.204 10.955 1.00 0.00 N ATOM 1371 NH2 ARG A 99 15.539 8.145 11.568 1.00 0.00 N ATOM 0 H ARG A 99 12.242 9.206 7.529 1.00 0.00 H new ATOM 0 HA ARG A 99 11.973 6.414 6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.071 6.148 9.097 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.678 6.845 9.043 1.00 0.00 H new ATOM 0 HG2 ARG A 99 10.415 8.780 9.144 1.00 0.00 H new ATOM 0 HG3 ARG A 99 10.669 7.806 10.578 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.670 9.637 9.213 1.00 0.00 H new ATOM 0 HD3 ARG A 99 11.970 9.828 10.808 1.00 0.00 H new ATOM 0 HE ARG A 99 13.325 7.329 10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.008 10.789 10.569 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.626 10.626 11.260 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.410 7.137 11.656 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.413 8.576 11.870 1.00 0.00 H new ATOM 1382 N LEU A 100 9.537 6.082 6.519 1.00 0.00 N ATOM 1383 CA LEU A 100 8.150 5.925 6.127 1.00 0.00 C ATOM 1384 C LEU A 100 7.276 5.749 7.364 1.00 0.00 C ATOM 1385 O LEU A 100 7.468 4.818 8.147 1.00 0.00 O ATOM 1386 CB LEU A 100 8.007 4.724 5.192 1.00 0.00 C ATOM 1387 CG LEU A 100 6.983 4.898 4.073 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.347 6.095 3.218 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.907 3.643 3.218 1.00 0.00 C ATOM 0 H LEU A 100 10.092 5.229 6.450 1.00 0.00 H new ATOM 0 HA LEU A 100 7.823 6.819 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.979 4.512 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.731 3.852 5.785 1.00 0.00 H new ATOM 0 HG LEU A 100 6.004 5.068 4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.611 6.211 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.359 6.993 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.334 5.943 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.172 3.786 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.883 3.445 2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.611 2.797 3.839 1.00 0.00 H new ATOM 1400 N VAL A 101 6.331 6.657 7.542 1.00 0.00 N ATOM 1401 CA VAL A 101 5.434 6.627 8.689 1.00 0.00 C ATOM 1402 C VAL A 101 3.982 6.710 8.228 1.00 0.00 C ATOM 1403 O VAL A 101 3.663 7.421 7.273 1.00 0.00 O ATOM 1404 CB VAL A 101 5.719 7.810 9.652 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.895 7.690 10.925 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.199 7.901 9.989 1.00 0.00 C ATOM 0 H VAL A 101 6.163 7.432 6.901 1.00 0.00 H new ATOM 0 HA VAL A 101 5.605 5.688 9.215 1.00 0.00 H new ATOM 0 HB VAL A 101 5.428 8.726 9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.115 8.532 11.581 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.834 7.693 10.674 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.145 6.759 11.434 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.367 8.739 10.665 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.520 6.977 10.470 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.772 8.052 9.074 1.00 0.00 H new ATOM 1416 N PHE A 102 3.107 5.966 8.892 1.00 0.00 N ATOM 1417 CA PHE A 102 1.693 5.988 8.557 1.00 0.00 C ATOM 1418 C PHE A 102 1.030 7.209 9.185 1.00 0.00 C ATOM 1419 O PHE A 102 1.227 7.497 10.370 1.00 0.00 O ATOM 1420 CB PHE A 102 0.989 4.704 9.019 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.502 4.870 9.163 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.323 4.985 8.048 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.076 4.948 10.423 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.681 5.168 8.192 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.435 5.138 10.568 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.237 5.248 9.453 1.00 0.00 C ATOM 0 H PHE A 102 3.352 5.343 9.662 1.00 0.00 H new ATOM 0 HA PHE A 102 1.601 6.046 7.472 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.193 3.907 8.304 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.408 4.390 9.975 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.893 4.930 7.059 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.453 4.859 11.300 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.311 5.249 7.318 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.870 5.200 11.555 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.301 5.397 9.566 1.00 0.00 H new ATOM 1435 N GLN A 103 0.257 7.921 8.385 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.442 9.104 8.847 1.00 0.00 C ATOM 1437 C GLN A 103 -1.945 8.893 8.749 1.00 0.00 C ATOM 1438 O GLN A 103 -2.590 8.677 9.801 1.00 0.00 O ATOM 1439 CB GLN A 103 -0.027 10.317 8.013 1.00 0.00 C ATOM 1440 CG GLN A 103 -0.160 11.639 8.745 1.00 0.00 C ATOM 1441 CD GLN A 103 0.872 11.787 9.844 1.00 0.00 C ATOM 1442 OE1 GLN A 103 0.635 11.417 10.995 1.00 0.00 O ATOM 1443 NE2 GLN A 103 2.032 12.316 9.492 1.00 0.00 N ATOM 1444 OXT GLN A 103 -2.479 8.932 7.622 1.00 0.00 O ATOM 0 H GLN A 103 0.097 7.697 7.403 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.179 9.285 9.889 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.008 10.191 7.696 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.636 10.350 7.109 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.053 12.459 8.035 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.159 11.717 9.173 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.187 12.609 8.527 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.772 12.431 10.185 1.00 0.00 H new