USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 824 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 116 ASN : amide:sc= -6.33! C(o=-13!,f=-9.7!) USER MOD Set 1.2: A 119 HIS : no HE2:sc= -6.77! C(o=-13!,f=-11!) USER MOD Set 2.1: A 71 CYS SG : rot -170:sc= 0.895 USER MOD Set 2.2: A 101 THR OG1 : rot -118:sc= 0.454 USER MOD Set 2.3: A 102 CYS SG : rot 180:sc= -1.44! USER MOD Set 3.1: A 63 CYS SG : rot -109:sc= 0.836 USER MOD Set 3.2: A 68 CYS SG : rot 180:sc= 0.0283 USER MOD Set 3.3: A 70 ASN : amide:sc=-0.00463 X(o=0.86,f=0.86) USER MOD Set 4.1: A 5 TYR OH : rot 2:sc= -0.0798! USER MOD Set 4.2: A 57 TYR OH : rot -48:sc= 0.0822! USER MOD Set 5.1: A 7 ASN : amide:sc= -5.1! C(o=-6!,f=-5.3!) USER MOD Set 5.2: A 10 THR OG1 : rot 180:sc= -0.91 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -116:sc= -0.998 USER MOD Single : A 14 GLN : amide:sc= -0.0021 X(o=-0.0021,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 19:sc= 0.576 USER MOD Single : A 39 THR OG1 : rot -77:sc= 1.04 USER MOD Single : A 40 MET CE :methyl -106:sc= -11.6! (180deg=-16.3!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.35) USER MOD Single : A 62 SER OG : rot -140:sc= -1.04 USER MOD Single : A 73 SER OG : rot -63:sc= 0.408 USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 0.424 (180deg=0.423) USER MOD Single : A 82 MET CE :methyl -149:sc= -0.957 (180deg=-2.53!) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.399! K(o=-0.4!,f=-2.6) USER MOD Single : A 86 GLN : amide:sc= -0.115 K(o=-0.12,f=-2.8!) USER MOD Single : A 89 SER OG : rot 143:sc= 0.983 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -161:sc= -0.0258 (180deg=-0.464) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -19.982 -15.085 12.986 1.00 3.92 N ATOM 2 CA PRO A 1 -18.674 -15.297 12.306 1.00 3.44 C ATOM 3 C PRO A 1 -17.770 -14.075 12.495 1.00 3.50 C ATOM 4 O PRO A 1 -17.327 -13.466 11.541 1.00 4.94 O ATOM 5 CB PRO A 1 -19.048 -15.475 10.839 1.00 2.00 C ATOM 6 CG PRO A 1 -20.356 -14.771 10.690 1.00 4.99 C ATOM 7 CD PRO A 1 -21.062 -14.873 12.017 1.00 3.38 C ATOM 0 H2 PRO A 1 -19.917 -14.279 13.607 1.00 3.92 H new ATOM 0 H3 PRO A 1 -20.199 -15.894 13.568 1.00 3.92 H new ATOM 0 HA PRO A 1 -18.122 -16.149 12.702 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -18.291 -15.046 10.183 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -19.135 -16.530 10.578 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -20.204 -13.728 10.413 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -20.952 -15.227 9.899 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -21.624 -13.966 12.240 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -21.773 -15.699 12.027 1.00 3.38 H new ATOM 17 N THR A 2 -17.492 -13.713 13.718 1.00 3.08 N ATOM 18 CA THR A 2 -16.617 -12.531 13.965 1.00 2.08 C ATOM 19 C THR A 2 -15.469 -12.906 14.907 1.00 2.52 C ATOM 20 O THR A 2 -15.656 -13.603 15.884 1.00 2.28 O ATOM 21 CB THR A 2 -17.529 -11.493 14.620 1.00 3.47 C ATOM 22 OG1 THR A 2 -18.876 -11.745 14.243 1.00 3.73 O ATOM 23 CG2 THR A 2 -17.123 -10.092 14.161 1.00 3.09 C ATOM 0 H THR A 2 -17.832 -14.184 14.556 1.00 3.08 H new ATOM 0 HA THR A 2 -16.164 -12.156 13.047 1.00 2.08 H new ATOM 0 HB THR A 2 -17.435 -11.559 15.704 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.463 -11.082 14.663 1.00 3.73 H new ATOM 0 HG21 THR A 2 -17.774 -9.353 14.629 1.00 3.09 H new ATOM 0 HG22 THR A 2 -16.090 -9.900 14.450 1.00 3.09 H new ATOM 0 HG23 THR A 2 -17.216 -10.023 13.077 1.00 3.09 H new ATOM 31 N VAL A 3 -14.280 -12.445 14.622 1.00 10.00 N ATOM 32 CA VAL A 3 -13.121 -12.772 15.502 1.00 10.00 C ATOM 33 C VAL A 3 -12.307 -11.506 15.793 1.00 10.00 C ATOM 34 O VAL A 3 -11.871 -10.819 14.893 1.00 10.00 O ATOM 35 CB VAL A 3 -12.288 -13.776 14.703 1.00 10.00 C ATOM 36 CG1 VAL A 3 -10.985 -14.070 15.450 1.00 10.00 C ATOM 37 CG2 VAL A 3 -13.080 -15.075 14.536 1.00 10.00 C ATOM 0 H VAL A 3 -14.062 -11.856 13.818 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.432 -13.178 16.465 1.00 10.00 H new ATOM 0 HB VAL A 3 -12.059 -13.358 13.723 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -10.392 -14.785 14.880 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -10.420 -13.146 15.573 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -11.214 -14.488 16.430 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -12.488 -15.792 13.967 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -13.308 -15.491 15.517 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -14.009 -14.869 14.005 1.00 10.00 H new ATOM 47 N GLU A 4 -12.104 -11.191 17.043 1.00 10.00 N ATOM 48 CA GLU A 4 -11.322 -9.966 17.384 1.00 10.00 C ATOM 49 C GLU A 4 -9.820 -10.257 17.336 1.00 10.00 C ATOM 50 O GLU A 4 -9.340 -11.189 17.950 1.00 10.00 O ATOM 51 CB GLU A 4 -11.751 -9.610 18.808 1.00 50.00 C ATOM 52 CG GLU A 4 -11.769 -8.088 18.966 1.00 50.00 C ATOM 53 CD GLU A 4 -13.165 -7.635 19.398 1.00 50.00 C ATOM 54 OE1 GLU A 4 -14.081 -7.769 18.604 1.00 50.00 O ATOM 55 OE2 GLU A 4 -13.293 -7.163 20.515 1.00 50.00 O ATOM 0 H GLU A 4 -12.444 -11.726 17.842 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.507 -9.153 16.682 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -12.739 -10.020 19.015 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -11.064 -10.054 19.529 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -11.030 -7.780 19.706 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -11.496 -7.611 18.025 1.00 50.00 H new ATOM 62 N TYR A 5 -9.073 -9.464 16.615 1.00 10.00 N ATOM 63 CA TYR A 5 -7.601 -9.698 16.536 1.00 10.00 C ATOM 64 C TYR A 5 -6.852 -8.683 17.408 1.00 10.00 C ATOM 65 O TYR A 5 -7.104 -7.496 17.354 1.00 10.00 O ATOM 66 CB TYR A 5 -7.242 -9.515 15.059 1.00 10.00 C ATOM 67 CG TYR A 5 -7.551 -8.101 14.626 1.00 10.00 C ATOM 68 CD1 TYR A 5 -6.605 -7.087 14.817 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.782 -7.806 14.026 1.00 10.00 C ATOM 70 CE1 TYR A 5 -6.889 -5.778 14.407 1.00 50.00 C ATOM 71 CE2 TYR A 5 -9.066 -6.498 13.617 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.118 -5.484 13.807 1.00 50.00 C ATOM 73 OH TYR A 5 -8.397 -4.195 13.401 1.00 50.00 O ATOM 0 H TYR A 5 -9.416 -8.667 16.079 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.323 -10.688 16.898 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -6.185 -9.729 14.904 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.804 -10.222 14.449 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -5.656 -7.314 15.280 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -9.512 -8.588 13.879 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -6.159 -4.996 14.554 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -10.015 -6.270 13.155 1.00 50.00 H new ATOM 0 HH TYR A 5 -7.621 -3.622 13.575 1.00 50.00 H new ATOM 83 N LEU A 6 -5.935 -9.147 18.215 1.00 10.00 N ATOM 84 CA LEU A 6 -5.166 -8.220 19.096 1.00 10.00 C ATOM 85 C LEU A 6 -3.663 -8.476 18.936 1.00 10.00 C ATOM 86 O LEU A 6 -3.173 -9.550 19.223 1.00 10.00 O ATOM 87 CB LEU A 6 -5.636 -8.555 20.518 1.00 12.50 C ATOM 88 CG LEU A 6 -4.935 -7.662 21.555 1.00 12.50 C ATOM 89 CD1 LEU A 6 -4.683 -6.265 20.980 1.00 50.00 C ATOM 90 CD2 LEU A 6 -5.824 -7.542 22.795 1.00 50.00 C ATOM 0 H LEU A 6 -5.685 -10.132 18.302 1.00 10.00 H new ATOM 0 HA LEU A 6 -5.332 -7.170 18.854 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -6.716 -8.422 20.589 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.429 -9.603 20.736 1.00 12.50 H new ATOM 0 HG LEU A 6 -3.978 -8.112 21.818 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -4.186 -5.648 21.728 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -4.050 -6.344 20.096 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.634 -5.808 20.705 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.333 -6.910 23.535 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.780 -7.099 22.516 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -5.993 -8.532 23.219 1.00 50.00 H new ATOM 102 N ASN A 7 -2.930 -7.503 18.467 1.00 10.00 N ATOM 103 CA ASN A 7 -1.463 -7.696 18.275 1.00 10.00 C ATOM 104 C ASN A 7 -0.797 -8.137 19.578 1.00 10.00 C ATOM 105 O ASN A 7 -0.894 -7.474 20.593 1.00 10.00 O ATOM 106 CB ASN A 7 -0.933 -6.330 17.840 1.00 10.00 C ATOM 107 CG ASN A 7 0.524 -6.471 17.394 1.00 10.00 C ATOM 108 OD1 ASN A 7 0.917 -7.498 16.878 1.00 12.50 O ATOM 109 ND2 ASN A 7 1.350 -5.476 17.572 1.00 12.50 N ATOM 0 H ASN A 7 -3.283 -6.582 18.208 1.00 10.00 H new ATOM 0 HA ASN A 7 -1.251 -8.472 17.539 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -1.538 -5.935 17.024 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -1.006 -5.620 18.664 1.00 10.00 H new ATOM 0 HD21 ASN A 7 2.323 -5.562 17.278 1.00 12.50 H new ATOM 0 HD22 ASN A 7 1.022 -4.613 18.005 1.00 12.50 H new ATOM 116 N TYR A 8 -0.112 -9.248 19.555 1.00 50.00 N ATOM 117 CA TYR A 8 0.568 -9.725 20.791 1.00 50.00 C ATOM 118 C TYR A 8 1.587 -8.682 21.257 1.00 50.00 C ATOM 119 O TYR A 8 1.794 -8.485 22.438 1.00 50.00 O ATOM 120 CB TYR A 8 1.269 -11.022 20.379 1.00 50.00 C ATOM 121 CG TYR A 8 2.333 -11.370 21.392 1.00 50.00 C ATOM 122 CD1 TYR A 8 2.011 -12.157 22.505 1.00 50.00 C ATOM 123 CD2 TYR A 8 3.642 -10.905 21.219 1.00 50.00 C ATOM 124 CE1 TYR A 8 2.997 -12.481 23.443 1.00 50.00 C ATOM 125 CE2 TYR A 8 4.629 -11.227 22.158 1.00 50.00 C ATOM 126 CZ TYR A 8 4.307 -12.016 23.270 1.00 50.00 C ATOM 127 OH TYR A 8 5.281 -12.334 24.194 1.00 50.00 O ATOM 0 H TYR A 8 0.006 -9.844 18.736 1.00 50.00 H new ATOM 0 HA TYR A 8 -0.125 -9.885 21.617 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.543 -11.832 20.307 1.00 50.00 H new ATOM 0 HB3 TYR A 8 1.717 -10.907 19.392 1.00 50.00 H new ATOM 0 HD1 TYR A 8 1.001 -12.514 22.639 1.00 50.00 H new ATOM 0 HD2 TYR A 8 3.890 -10.298 20.361 1.00 50.00 H new ATOM 0 HE1 TYR A 8 2.748 -13.089 24.300 1.00 50.00 H new ATOM 0 HE2 TYR A 8 5.639 -10.867 22.025 1.00 50.00 H new ATOM 0 HH TYR A 8 5.601 -11.515 24.627 1.00 50.00 H new ATOM 137 N GLU A 9 2.222 -8.010 20.337 1.00 25.00 N ATOM 138 CA GLU A 9 3.222 -6.978 20.730 1.00 25.00 C ATOM 139 C GLU A 9 2.534 -5.852 21.504 1.00 25.00 C ATOM 140 O GLU A 9 3.094 -5.281 22.419 1.00 25.00 O ATOM 141 CB GLU A 9 3.796 -6.454 19.413 1.00 50.00 C ATOM 142 CG GLU A 9 5.185 -5.865 19.664 1.00 50.00 C ATOM 143 CD GLU A 9 6.185 -6.472 18.677 1.00 50.00 C ATOM 144 OE1 GLU A 9 6.117 -6.127 17.509 1.00 50.00 O ATOM 145 OE2 GLU A 9 7.001 -7.270 19.107 1.00 50.00 O ATOM 0 H GLU A 9 2.092 -8.130 19.332 1.00 25.00 H new ATOM 0 HA GLU A 9 4.001 -7.381 21.377 1.00 25.00 H new ATOM 0 HB2 GLU A 9 3.858 -7.261 18.683 1.00 50.00 H new ATOM 0 HB3 GLU A 9 3.137 -5.694 18.993 1.00 50.00 H new ATOM 0 HG2 GLU A 9 5.158 -4.781 19.550 1.00 50.00 H new ATOM 0 HG3 GLU A 9 5.499 -6.070 20.688 1.00 50.00 H new ATOM 152 N THR A 10 1.316 -5.535 21.153 1.00 50.00 N ATOM 153 CA THR A 10 0.591 -4.455 21.878 1.00 50.00 C ATOM 154 C THR A 10 0.508 -4.807 23.363 1.00 50.00 C ATOM 155 O THR A 10 0.646 -3.961 24.225 1.00 50.00 O ATOM 156 CB THR A 10 -0.804 -4.423 21.250 1.00 50.00 C ATOM 157 OG1 THR A 10 -0.737 -3.774 19.988 1.00 50.00 O ATOM 158 CG2 THR A 10 -1.763 -3.664 22.168 1.00 50.00 C ATOM 0 H THR A 10 0.794 -5.977 20.397 1.00 50.00 H new ATOM 0 HA THR A 10 1.087 -3.487 21.801 1.00 50.00 H new ATOM 0 HB THR A 10 -1.167 -5.442 21.116 1.00 50.00 H new ATOM 0 HG1 THR A 10 -1.629 -3.754 19.583 1.00 50.00 H new ATOM 0 HG21 THR A 10 -2.756 -3.642 21.719 1.00 50.00 H new ATOM 0 HG22 THR A 10 -1.813 -4.164 23.135 1.00 50.00 H new ATOM 0 HG23 THR A 10 -1.405 -2.644 22.305 1.00 50.00 H new ATOM 166 N LEU A 11 0.293 -6.058 23.665 1.00 50.00 N ATOM 167 CA LEU A 11 0.212 -6.478 25.092 1.00 50.00 C ATOM 168 C LEU A 11 1.574 -6.272 25.766 1.00 50.00 C ATOM 169 O LEU A 11 1.661 -5.808 26.885 1.00 50.00 O ATOM 170 CB LEU A 11 -0.156 -7.965 25.041 1.00 50.00 C ATOM 171 CG LEU A 11 0.244 -8.647 26.353 1.00 50.00 C ATOM 172 CD1 LEU A 11 -0.565 -8.050 27.507 1.00 50.00 C ATOM 173 CD2 LEU A 11 -0.038 -10.148 26.255 1.00 50.00 C ATOM 0 H LEU A 11 0.170 -6.808 22.985 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.516 -5.904 25.664 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -1.227 -8.078 24.874 1.00 50.00 H new ATOM 0 HB3 LEU A 11 0.349 -8.445 24.203 1.00 50.00 H new ATOM 0 HG LEU A 11 1.307 -8.488 26.535 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -0.280 -8.536 28.440 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -0.364 -6.981 27.578 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -1.628 -8.208 27.326 1.00 50.00 H new ATOM 0 HD21 LEU A 11 0.247 -10.633 27.189 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -1.101 -10.307 26.072 1.00 50.00 H new ATOM 0 HD23 LEU A 11 0.539 -10.574 25.434 1.00 50.00 H new ATOM 185 N ASP A 12 2.635 -6.615 25.087 1.00 50.00 N ATOM 186 CA ASP A 12 3.992 -6.440 25.680 1.00 50.00 C ATOM 187 C ASP A 12 4.435 -4.978 25.572 1.00 50.00 C ATOM 188 O ASP A 12 4.783 -4.351 26.552 1.00 50.00 O ATOM 189 CB ASP A 12 4.906 -7.340 24.847 1.00 50.00 C ATOM 190 CG ASP A 12 5.009 -8.717 25.507 1.00 50.00 C ATOM 191 OD1 ASP A 12 4.190 -9.003 26.364 1.00 50.00 O ATOM 192 OD2 ASP A 12 5.905 -9.460 25.143 1.00 50.00 O ATOM 0 H ASP A 12 2.621 -7.009 24.146 1.00 50.00 H new ATOM 0 HA ASP A 12 4.016 -6.700 26.738 1.00 50.00 H new ATOM 0 HB2 ASP A 12 4.512 -7.439 23.835 1.00 50.00 H new ATOM 0 HB3 ASP A 12 5.896 -6.891 24.762 1.00 50.00 H new ATOM 197 N ASP A 13 4.424 -4.430 24.387 1.00 50.00 N ATOM 198 CA ASP A 13 4.844 -3.009 24.218 1.00 50.00 C ATOM 199 C ASP A 13 4.241 -2.147 25.331 1.00 50.00 C ATOM 200 O ASP A 13 4.948 -1.569 26.133 1.00 50.00 O ATOM 201 CB ASP A 13 4.290 -2.591 22.856 1.00 50.00 C ATOM 202 CG ASP A 13 5.067 -1.378 22.338 1.00 50.00 C ATOM 203 OD1 ASP A 13 6.105 -1.079 22.904 1.00 50.00 O ATOM 204 OD2 ASP A 13 4.611 -0.771 21.384 1.00 50.00 O ATOM 0 H ASP A 13 4.143 -4.904 23.529 1.00 50.00 H new ATOM 0 HA ASP A 13 5.926 -2.888 24.271 1.00 50.00 H new ATOM 0 HB2 ASP A 13 4.372 -3.417 22.150 1.00 50.00 H new ATOM 0 HB3 ASP A 13 3.231 -2.348 22.942 1.00 50.00 H new ATOM 209 N GLN A 14 2.942 -2.059 25.387 1.00 50.00 N ATOM 210 CA GLN A 14 2.297 -1.236 26.450 1.00 50.00 C ATOM 211 C GLN A 14 2.577 -1.840 27.828 1.00 50.00 C ATOM 212 O GLN A 14 2.514 -1.165 28.837 1.00 50.00 O ATOM 213 CB GLN A 14 0.803 -1.288 26.137 1.00 50.00 C ATOM 214 CG GLN A 14 0.093 -0.139 26.855 1.00 50.00 C ATOM 215 CD GLN A 14 -0.266 0.949 25.841 1.00 50.00 C ATOM 216 OE1 GLN A 14 0.309 2.020 25.853 1.00 50.00 O ATOM 217 NE2 GLN A 14 -1.196 0.717 24.956 1.00 50.00 N ATOM 0 H GLN A 14 2.299 -2.520 24.744 1.00 50.00 H new ATOM 0 HA GLN A 14 2.675 -0.214 26.468 1.00 50.00 H new ATOM 0 HB2 GLN A 14 0.643 -1.214 25.061 1.00 50.00 H new ATOM 0 HB3 GLN A 14 0.386 -2.243 26.456 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -0.808 -0.505 27.347 1.00 50.00 H new ATOM 0 HG3 GLN A 14 0.737 0.272 27.633 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -1.678 -0.182 24.946 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -1.441 1.434 24.274 1.00 50.00 H new ATOM 226 N GLY A 15 2.887 -3.107 27.879 1.00 50.00 N ATOM 227 CA GLY A 15 3.171 -3.752 29.191 1.00 50.00 C ATOM 228 C GLY A 15 1.854 -4.043 29.914 1.00 50.00 C ATOM 229 O GLY A 15 1.721 -3.811 31.098 1.00 50.00 O ATOM 0 H GLY A 15 2.956 -3.723 27.069 1.00 50.00 H new ATOM 0 HA2 GLY A 15 3.727 -4.677 29.040 1.00 50.00 H new ATOM 0 HA3 GLY A 15 3.796 -3.100 29.801 1.00 50.00 H new ATOM 233 N TRP A 16 0.876 -4.549 29.211 1.00 50.00 N ATOM 234 CA TRP A 16 -0.430 -4.851 29.863 1.00 50.00 C ATOM 235 C TRP A 16 -0.525 -6.334 30.213 1.00 50.00 C ATOM 236 O TRP A 16 0.460 -7.044 30.243 1.00 50.00 O ATOM 237 CB TRP A 16 -1.493 -4.483 28.831 1.00 50.00 C ATOM 238 CG TRP A 16 -2.168 -3.214 29.240 1.00 50.00 C ATOM 239 CD1 TRP A 16 -2.559 -2.241 28.389 1.00 50.00 C ATOM 240 CD2 TRP A 16 -2.537 -2.762 30.577 1.00 50.00 C ATOM 241 NE1 TRP A 16 -3.141 -1.218 29.115 1.00 50.00 N ATOM 242 CE2 TRP A 16 -3.150 -1.491 30.468 1.00 50.00 C ATOM 243 CE3 TRP A 16 -2.399 -3.322 31.862 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -3.611 -0.802 31.590 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -2.862 -2.630 32.993 1.00 50.00 C ATOM 246 CH2 TRP A 16 -3.467 -1.372 32.857 1.00 50.00 C ATOM 0 H TRP A 16 0.925 -4.766 28.215 1.00 50.00 H new ATOM 0 HA TRP A 16 -0.554 -4.296 30.793 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -1.035 -4.364 27.849 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -2.225 -5.286 28.746 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -2.437 -2.259 27.316 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -3.518 -0.365 28.701 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -1.934 -4.290 31.978 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -4.076 0.166 31.480 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -2.752 -3.069 33.973 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -3.821 -0.845 33.731 1.00 50.00 H new ATOM 257 N ASP A 17 -1.710 -6.801 30.477 1.00 50.00 N ATOM 258 CA ASP A 17 -1.886 -8.240 30.829 1.00 50.00 C ATOM 259 C ASP A 17 -2.585 -8.982 29.686 1.00 50.00 C ATOM 260 O ASP A 17 -3.119 -8.378 28.777 1.00 50.00 O ATOM 261 CB ASP A 17 -2.760 -8.235 32.083 1.00 50.00 C ATOM 262 CG ASP A 17 -1.887 -8.495 33.312 1.00 50.00 C ATOM 263 OD1 ASP A 17 -1.397 -9.604 33.443 1.00 50.00 O ATOM 264 OD2 ASP A 17 -1.724 -7.579 34.101 1.00 50.00 O ATOM 0 H ASP A 17 -2.568 -6.250 30.465 1.00 50.00 H new ATOM 0 HA ASP A 17 -0.935 -8.745 30.998 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -3.269 -7.276 32.181 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -3.533 -8.999 32.004 1.00 50.00 H new ATOM 269 N MET A 18 -2.585 -10.286 29.725 1.00 50.00 N ATOM 270 CA MET A 18 -3.252 -11.064 28.641 1.00 50.00 C ATOM 271 C MET A 18 -4.772 -10.991 28.804 1.00 50.00 C ATOM 272 O MET A 18 -5.482 -10.568 27.914 1.00 50.00 O ATOM 273 CB MET A 18 -2.762 -12.501 28.824 1.00 50.00 C ATOM 274 CG MET A 18 -2.472 -13.118 27.454 1.00 50.00 C ATOM 275 SD MET A 18 -3.635 -14.469 27.143 1.00 50.00 S ATOM 276 CE MET A 18 -4.643 -13.622 25.902 1.00 50.00 C ATOM 0 H MET A 18 -2.153 -10.847 30.459 1.00 50.00 H new ATOM 0 HA MET A 18 -3.017 -10.678 27.649 1.00 50.00 H new ATOM 0 HB2 MET A 18 -1.862 -12.514 29.439 1.00 50.00 H new ATOM 0 HB3 MET A 18 -3.515 -13.090 29.348 1.00 50.00 H new ATOM 0 HG2 MET A 18 -2.562 -12.360 26.676 1.00 50.00 H new ATOM 0 HG3 MET A 18 -1.448 -13.490 27.420 1.00 50.00 H new ATOM 0 HE1 MET A 18 -5.438 -14.286 25.564 1.00 50.00 H new ATOM 0 HE2 MET A 18 -5.081 -12.725 26.340 1.00 50.00 H new ATOM 0 HE3 MET A 18 -4.018 -13.344 25.054 1.00 50.00 H new ATOM 286 N ASP A 19 -5.271 -11.396 29.938 1.00 50.00 N ATOM 287 CA ASP A 19 -6.744 -11.347 30.164 1.00 50.00 C ATOM 288 C ASP A 19 -7.054 -10.570 31.446 1.00 50.00 C ATOM 289 O ASP A 19 -8.198 -10.396 31.816 1.00 50.00 O ATOM 290 CB ASP A 19 -7.176 -12.807 30.306 1.00 50.00 C ATOM 291 CG ASP A 19 -8.583 -12.865 30.904 1.00 50.00 C ATOM 292 OD1 ASP A 19 -9.533 -12.818 30.139 1.00 50.00 O ATOM 293 OD2 ASP A 19 -8.688 -12.954 32.116 1.00 50.00 O ATOM 0 H ASP A 19 -4.724 -11.759 30.718 1.00 50.00 H new ATOM 0 HA ASP A 19 -7.269 -10.846 29.351 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -7.162 -13.298 29.333 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -6.475 -13.345 30.945 1.00 50.00 H new ATOM 298 N ASP A 20 -6.043 -10.101 32.127 1.00 50.00 N ATOM 299 CA ASP A 20 -6.284 -9.338 33.385 1.00 50.00 C ATOM 300 C ASP A 20 -6.769 -7.924 33.056 1.00 50.00 C ATOM 301 O ASP A 20 -7.851 -7.524 33.434 1.00 50.00 O ATOM 302 CB ASP A 20 -4.928 -9.293 34.090 1.00 50.00 C ATOM 303 CG ASP A 20 -5.137 -9.372 35.603 1.00 50.00 C ATOM 304 OD1 ASP A 20 -6.165 -9.885 36.013 1.00 50.00 O ATOM 305 OD2 ASP A 20 -4.265 -8.919 36.325 1.00 50.00 O ATOM 0 H ASP A 20 -5.063 -10.213 31.867 1.00 50.00 H new ATOM 0 HA ASP A 20 -7.049 -9.799 34.010 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -4.304 -10.121 33.755 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -4.402 -8.374 33.832 1.00 50.00 H new ATOM 310 N ASP A 21 -5.977 -7.165 32.348 1.00 50.00 N ATOM 311 CA ASP A 21 -6.396 -5.779 31.993 1.00 50.00 C ATOM 312 C ASP A 21 -7.367 -5.809 30.809 1.00 50.00 C ATOM 313 O ASP A 21 -7.777 -4.783 30.305 1.00 50.00 O ATOM 314 CB ASP A 21 -5.104 -5.057 31.614 1.00 50.00 C ATOM 315 CG ASP A 21 -5.404 -3.580 31.351 1.00 50.00 C ATOM 316 OD1 ASP A 21 -5.866 -2.918 32.266 1.00 50.00 O ATOM 317 OD2 ASP A 21 -5.168 -3.136 30.240 1.00 50.00 O ATOM 0 H ASP A 21 -5.060 -7.444 32.001 1.00 50.00 H new ATOM 0 HA ASP A 21 -6.912 -5.280 32.813 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -4.372 -5.153 32.416 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -4.666 -5.514 30.726 1.00 50.00 H new ATOM 322 N ASP A 22 -7.736 -6.979 30.365 1.00 50.00 N ATOM 323 CA ASP A 22 -8.680 -7.075 29.216 1.00 50.00 C ATOM 324 C ASP A 22 -8.196 -6.204 28.056 1.00 50.00 C ATOM 325 O ASP A 22 -8.935 -5.406 27.513 1.00 50.00 O ATOM 326 CB ASP A 22 -10.016 -6.565 29.756 1.00 50.00 C ATOM 327 CG ASP A 22 -10.933 -7.753 30.055 1.00 50.00 C ATOM 328 OD1 ASP A 22 -11.563 -8.236 29.129 1.00 50.00 O ATOM 329 OD2 ASP A 22 -10.990 -8.157 31.205 1.00 50.00 O ATOM 0 H ASP A 22 -7.425 -7.872 30.748 1.00 50.00 H new ATOM 0 HA ASP A 22 -8.760 -8.092 28.832 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -9.855 -5.980 30.661 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -10.486 -5.904 29.028 1.00 50.00 H new ATOM 334 N LEU A 23 -6.959 -6.354 27.672 1.00 50.00 N ATOM 335 CA LEU A 23 -6.422 -5.538 26.544 1.00 50.00 C ATOM 336 C LEU A 23 -7.442 -5.491 25.400 1.00 50.00 C ATOM 337 O LEU A 23 -7.815 -4.434 24.932 1.00 50.00 O ATOM 338 CB LEU A 23 -5.149 -6.263 26.106 1.00 50.00 C ATOM 339 CG LEU A 23 -4.199 -5.275 25.421 1.00 50.00 C ATOM 340 CD1 LEU A 23 -3.981 -4.058 26.324 1.00 50.00 C ATOM 341 CD2 LEU A 23 -2.857 -5.958 25.160 1.00 50.00 C ATOM 0 H LEU A 23 -6.295 -7.006 28.090 1.00 50.00 H new ATOM 0 HA LEU A 23 -6.221 -4.506 26.832 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -4.660 -6.712 26.970 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -5.399 -7.075 25.423 1.00 50.00 H new ATOM 0 HG LEU A 23 -4.636 -4.951 24.476 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -3.305 -3.358 25.834 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -4.937 -3.569 26.512 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -3.546 -4.380 27.270 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -2.180 -5.256 24.673 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -2.424 -6.282 26.106 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -3.009 -6.823 24.515 1.00 50.00 H new ATOM 353 N PHE A 24 -7.903 -6.628 24.955 1.00 50.00 N ATOM 354 CA PHE A 24 -8.906 -6.647 23.854 1.00 50.00 C ATOM 355 C PHE A 24 -9.973 -5.591 24.122 1.00 50.00 C ATOM 356 O PHE A 24 -10.561 -5.035 23.216 1.00 50.00 O ATOM 357 CB PHE A 24 -9.518 -8.046 23.900 1.00 50.00 C ATOM 358 CG PHE A 24 -8.847 -8.921 22.873 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.327 -8.947 21.559 1.00 50.00 C ATOM 360 CD2 PHE A 24 -7.747 -9.706 23.234 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.706 -9.760 20.605 1.00 50.00 C ATOM 362 CE2 PHE A 24 -7.127 -10.519 22.280 1.00 50.00 C ATOM 363 CZ PHE A 24 -7.607 -10.545 20.966 1.00 50.00 C ATOM 0 H PHE A 24 -7.628 -7.545 25.307 1.00 50.00 H new ATOM 0 HA PHE A 24 -8.466 -6.430 22.881 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -9.397 -8.475 24.895 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -10.589 -7.993 23.704 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -10.176 -8.340 21.282 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -7.377 -9.684 24.248 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -9.075 -9.781 19.590 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -6.278 -11.126 22.557 1.00 50.00 H new ATOM 0 HZ PHE A 24 -7.128 -11.173 20.229 1.00 50.00 H new ATOM 373 N GLU A 25 -10.218 -5.311 25.369 1.00 50.00 N ATOM 374 CA GLU A 25 -11.243 -4.286 25.719 1.00 50.00 C ATOM 375 C GLU A 25 -10.572 -2.923 25.899 1.00 50.00 C ATOM 376 O GLU A 25 -11.027 -1.922 25.382 1.00 50.00 O ATOM 377 CB GLU A 25 -11.849 -4.767 27.039 1.00 50.00 C ATOM 378 CG GLU A 25 -13.364 -4.550 27.014 1.00 50.00 C ATOM 379 CD GLU A 25 -13.758 -3.570 28.121 1.00 50.00 C ATOM 380 OE1 GLU A 25 -12.985 -3.418 29.053 1.00 50.00 O ATOM 381 OE2 GLU A 25 -14.824 -2.988 28.018 1.00 50.00 O ATOM 0 H GLU A 25 -9.753 -5.748 26.165 1.00 50.00 H new ATOM 0 HA GLU A 25 -12.001 -4.171 24.944 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -11.625 -5.823 27.191 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -11.407 -4.224 27.874 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -13.670 -4.161 26.043 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -13.880 -5.500 27.154 1.00 50.00 H new ATOM 388 N LYS A 26 -9.487 -2.879 26.624 1.00 50.00 N ATOM 389 CA LYS A 26 -8.782 -1.583 26.830 1.00 50.00 C ATOM 390 C LYS A 26 -8.108 -1.143 25.529 1.00 50.00 C ATOM 391 O LYS A 26 -7.678 -0.015 25.390 1.00 50.00 O ATOM 392 CB LYS A 26 -7.736 -1.869 27.910 1.00 50.00 C ATOM 393 CG LYS A 26 -8.433 -2.051 29.259 1.00 50.00 C ATOM 394 CD LYS A 26 -8.722 -0.680 29.872 1.00 50.00 C ATOM 395 CE LYS A 26 -9.798 -0.818 30.951 1.00 50.00 C ATOM 396 NZ LYS A 26 -9.055 -0.767 32.241 1.00 50.00 N ATOM 0 H LYS A 26 -9.059 -3.684 27.082 1.00 50.00 H new ATOM 0 HA LYS A 26 -9.460 -0.782 27.125 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -7.172 -2.766 27.656 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -7.021 -1.048 27.966 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -9.362 -2.606 29.129 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -7.804 -2.636 29.930 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -7.811 -0.264 30.303 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -9.054 0.013 29.099 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -10.530 -0.013 30.884 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -10.345 -1.755 30.847 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -9.725 -0.856 33.031 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -8.370 -1.549 32.278 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -8.550 0.139 32.315 1.00 50.00 H new ATOM 410 N ALA A 27 -8.019 -2.025 24.570 1.00 50.00 N ATOM 411 CA ALA A 27 -7.379 -1.659 23.275 1.00 50.00 C ATOM 412 C ALA A 27 -8.325 -0.772 22.463 1.00 50.00 C ATOM 413 O ALA A 27 -7.926 -0.121 21.517 1.00 50.00 O ATOM 414 CB ALA A 27 -7.139 -2.988 22.558 1.00 50.00 C ATOM 0 H ALA A 27 -8.362 -2.984 24.628 1.00 50.00 H new ATOM 0 HA ALA A 27 -6.452 -1.102 23.411 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -6.668 -2.801 21.593 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -6.486 -3.616 23.164 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -8.091 -3.496 22.405 1.00 50.00 H new ATOM 420 N ALA A 28 -9.577 -0.741 22.830 1.00 50.00 N ATOM 421 CA ALA A 28 -10.554 0.104 22.085 1.00 50.00 C ATOM 422 C ALA A 28 -10.470 1.552 22.573 1.00 50.00 C ATOM 423 O ALA A 28 -10.830 2.476 21.870 1.00 50.00 O ATOM 424 CB ALA A 28 -11.922 -0.495 22.413 1.00 50.00 C ATOM 0 H ALA A 28 -9.966 -1.265 23.614 1.00 50.00 H new ATOM 0 HA ALA A 28 -10.362 0.117 21.012 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -12.700 0.072 21.901 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -11.953 -1.533 22.083 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -12.090 -0.451 23.489 1.00 50.00 H new ATOM 430 N ASP A 29 -9.996 1.754 23.771 1.00 50.00 N ATOM 431 CA ASP A 29 -9.885 3.142 24.304 1.00 50.00 C ATOM 432 C ASP A 29 -8.570 3.775 23.843 1.00 50.00 C ATOM 433 O ASP A 29 -8.457 4.980 23.721 1.00 50.00 O ATOM 434 CB ASP A 29 -9.902 2.983 25.824 1.00 50.00 C ATOM 435 CG ASP A 29 -11.148 3.660 26.394 1.00 50.00 C ATOM 436 OD1 ASP A 29 -11.369 4.816 26.075 1.00 50.00 O ATOM 437 OD2 ASP A 29 -11.862 3.011 27.142 1.00 50.00 O ATOM 0 H ASP A 29 -9.681 1.019 24.404 1.00 50.00 H new ATOM 0 HA ASP A 29 -10.690 3.789 23.955 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -9.896 1.926 26.090 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -9.005 3.426 26.257 1.00 50.00 H new ATOM 442 N ALA A 30 -7.576 2.971 23.586 1.00 50.00 N ATOM 443 CA ALA A 30 -6.266 3.522 23.131 1.00 50.00 C ATOM 444 C ALA A 30 -6.309 3.813 21.629 1.00 50.00 C ATOM 445 O ALA A 30 -5.757 4.788 21.158 1.00 50.00 O ATOM 446 CB ALA A 30 -5.247 2.423 23.436 1.00 50.00 C ATOM 0 H ALA A 30 -7.613 1.955 23.671 1.00 50.00 H new ATOM 0 HA ALA A 30 -6.016 4.459 23.629 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -4.254 2.752 23.129 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.246 2.215 24.506 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -5.514 1.518 22.890 1.00 50.00 H new ATOM 452 N GLY A 31 -6.963 2.974 20.878 1.00 50.00 N ATOM 453 CA GLY A 31 -7.048 3.196 19.406 1.00 50.00 C ATOM 454 C GLY A 31 -5.719 2.812 18.751 1.00 50.00 C ATOM 455 O GLY A 31 -5.156 3.564 17.981 1.00 50.00 O ATOM 0 H GLY A 31 -7.444 2.142 21.219 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.858 2.601 18.985 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -7.279 4.241 19.198 1.00 50.00 H new ATOM 459 N LEU A 32 -5.216 1.644 19.047 1.00 50.00 N ATOM 460 CA LEU A 32 -3.926 1.214 18.436 1.00 50.00 C ATOM 461 C LEU A 32 -4.118 0.961 16.937 1.00 50.00 C ATOM 462 O LEU A 32 -5.228 0.891 16.448 1.00 50.00 O ATOM 463 CB LEU A 32 -3.558 -0.082 19.159 1.00 50.00 C ATOM 464 CG LEU A 32 -2.776 0.246 20.434 1.00 50.00 C ATOM 465 CD1 LEU A 32 -3.666 0.004 21.655 1.00 50.00 C ATOM 466 CD2 LEU A 32 -1.538 -0.649 20.518 1.00 50.00 C ATOM 0 H LEU A 32 -5.642 0.971 19.684 1.00 50.00 H new ATOM 0 HA LEU A 32 -3.145 1.968 18.535 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -4.460 -0.641 19.407 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -2.959 -0.717 18.506 1.00 50.00 H new ATOM 0 HG LEU A 32 -2.467 1.291 20.412 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -3.110 0.237 22.563 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -4.547 0.643 21.595 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -3.976 -1.041 21.678 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -0.981 -0.416 21.426 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -1.846 -1.694 20.540 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -0.904 -0.475 19.649 1.00 50.00 H new ATOM 478 N ASP A 33 -3.048 0.825 16.202 1.00 50.00 N ATOM 479 CA ASP A 33 -3.180 0.579 14.737 1.00 50.00 C ATOM 480 C ASP A 33 -4.236 -0.496 14.473 1.00 50.00 C ATOM 481 O ASP A 33 -4.176 -1.584 15.011 1.00 50.00 O ATOM 482 CB ASP A 33 -1.800 0.098 14.287 1.00 50.00 C ATOM 483 CG ASP A 33 -1.459 0.720 12.932 1.00 50.00 C ATOM 484 OD1 ASP A 33 -2.361 0.863 12.123 1.00 50.00 O ATOM 485 OD2 ASP A 33 -0.301 1.043 12.725 1.00 50.00 O ATOM 0 H ASP A 33 -2.091 0.873 16.551 1.00 50.00 H new ATOM 0 HA ASP A 33 -3.495 1.472 14.197 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -1.048 0.375 15.026 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -1.789 -0.989 14.213 1.00 50.00 H new ATOM 490 N GLY A 34 -5.202 -0.204 13.644 1.00 50.00 N ATOM 491 CA GLY A 34 -6.257 -1.211 13.345 1.00 50.00 C ATOM 492 C GLY A 34 -5.600 -2.515 12.887 1.00 50.00 C ATOM 493 O GLY A 34 -6.195 -3.573 12.937 1.00 50.00 O ATOM 0 H GLY A 34 -5.305 0.689 13.162 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -6.866 -1.390 14.231 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -6.925 -0.835 12.570 1.00 50.00 H new ATOM 497 N GLU A 35 -4.376 -2.445 12.440 1.00 50.00 N ATOM 498 CA GLU A 35 -3.680 -3.680 11.978 1.00 50.00 C ATOM 499 C GLU A 35 -3.231 -4.516 13.180 1.00 50.00 C ATOM 500 O GLU A 35 -2.834 -5.656 13.043 1.00 50.00 O ATOM 501 CB GLU A 35 -2.468 -3.178 11.193 1.00 50.00 C ATOM 502 CG GLU A 35 -2.257 -4.056 9.957 1.00 50.00 C ATOM 503 CD GLU A 35 -0.827 -3.878 9.443 1.00 50.00 C ATOM 504 OE1 GLU A 35 -0.126 -3.035 9.979 1.00 50.00 O ATOM 505 OE2 GLU A 35 -0.457 -4.587 8.522 1.00 50.00 O ATOM 0 H GLU A 35 -3.828 -1.587 12.375 1.00 50.00 H new ATOM 0 HA GLU A 35 -4.325 -4.316 11.372 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -2.620 -2.141 10.893 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -1.579 -3.200 11.823 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -2.438 -5.102 10.205 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -2.971 -3.785 9.179 1.00 50.00 H new ATOM 512 N ASP A 36 -3.290 -3.955 14.356 1.00 50.00 N ATOM 513 CA ASP A 36 -2.866 -4.713 15.570 1.00 50.00 C ATOM 514 C ASP A 36 -4.089 -5.125 16.391 1.00 50.00 C ATOM 515 O ASP A 36 -4.211 -6.258 16.814 1.00 50.00 O ATOM 516 CB ASP A 36 -1.994 -3.734 16.358 1.00 50.00 C ATOM 517 CG ASP A 36 -0.687 -3.491 15.600 1.00 50.00 C ATOM 518 OD1 ASP A 36 -0.748 -3.326 14.393 1.00 50.00 O ATOM 519 OD2 ASP A 36 0.351 -3.473 16.240 1.00 50.00 O ATOM 0 H ASP A 36 -3.614 -3.004 14.530 1.00 50.00 H new ATOM 0 HA ASP A 36 -2.330 -5.629 15.321 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -2.524 -2.792 16.501 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -1.783 -4.135 17.349 1.00 50.00 H new ATOM 524 N TYR A 37 -4.997 -4.217 16.621 1.00 12.50 N ATOM 525 CA TYR A 37 -6.211 -4.561 17.417 1.00 12.50 C ATOM 526 C TYR A 37 -7.478 -4.177 16.647 1.00 12.50 C ATOM 527 O TYR A 37 -7.497 -3.216 15.903 1.00 12.50 O ATOM 528 CB TYR A 37 -6.093 -3.735 18.699 1.00 12.50 C ATOM 529 CG TYR A 37 -7.430 -3.697 19.403 1.00 12.50 C ATOM 530 CD1 TYR A 37 -7.939 -4.853 20.007 1.00 50.00 C ATOM 531 CD2 TYR A 37 -8.162 -2.504 19.449 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.178 -4.816 20.657 1.00 50.00 C ATOM 533 CE2 TYR A 37 -9.400 -2.467 20.099 1.00 50.00 C ATOM 534 CZ TYR A 37 -9.909 -3.623 20.703 1.00 12.50 C ATOM 535 OH TYR A 37 -11.132 -3.587 21.343 1.00 50.00 O ATOM 0 H TYR A 37 -4.952 -3.252 16.293 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.278 -5.629 17.624 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.338 -4.168 19.355 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.766 -2.722 18.462 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.375 -5.774 19.971 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.770 -1.612 18.982 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -9.570 -5.708 21.123 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -9.963 -1.546 20.135 1.00 50.00 H new ATOM 0 HH TYR A 37 -11.205 -4.351 21.952 1.00 50.00 H new ATOM 545 N GLY A 38 -8.538 -4.918 16.823 1.00 10.00 N ATOM 546 CA GLY A 38 -9.802 -4.593 16.106 1.00 10.00 C ATOM 547 C GLY A 38 -10.638 -5.862 15.937 1.00 10.00 C ATOM 548 O GLY A 38 -10.207 -6.949 16.270 1.00 10.00 O ATOM 0 H GLY A 38 -8.583 -5.735 17.433 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -10.366 -3.846 16.664 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -9.578 -4.161 15.131 1.00 10.00 H new ATOM 552 N THR A 39 -11.831 -5.733 15.424 1.00 10.00 N ATOM 553 CA THR A 39 -12.694 -6.933 15.236 1.00 10.00 C ATOM 554 C THR A 39 -12.539 -7.481 13.814 1.00 10.00 C ATOM 555 O THR A 39 -12.688 -6.765 12.844 1.00 10.00 O ATOM 556 CB THR A 39 -14.121 -6.435 15.466 1.00 50.00 C ATOM 557 OG1 THR A 39 -14.179 -5.723 16.694 1.00 50.00 O ATOM 558 CG2 THR A 39 -15.079 -7.628 15.520 1.00 50.00 C ATOM 0 H THR A 39 -12.245 -4.849 15.127 1.00 10.00 H new ATOM 0 HA THR A 39 -12.429 -7.742 15.917 1.00 10.00 H new ATOM 0 HB THR A 39 -14.412 -5.776 14.648 1.00 50.00 H new ATOM 0 HG1 THR A 39 -14.184 -6.358 17.440 1.00 50.00 H new ATOM 0 HG21 THR A 39 -16.096 -7.271 15.684 1.00 50.00 H new ATOM 0 HG22 THR A 39 -15.034 -8.174 14.578 1.00 50.00 H new ATOM 0 HG23 THR A 39 -14.791 -8.290 16.337 1.00 50.00 H new ATOM 566 N MET A 40 -12.246 -8.745 13.685 1.00 10.00 N ATOM 567 CA MET A 40 -12.088 -9.337 12.326 1.00 10.00 C ATOM 568 C MET A 40 -13.425 -9.911 11.852 1.00 10.00 C ATOM 569 O MET A 40 -14.342 -10.092 12.628 1.00 10.00 O ATOM 570 CB MET A 40 -11.054 -10.451 12.495 1.00 10.00 C ATOM 571 CG MET A 40 -10.314 -10.668 11.174 1.00 10.00 C ATOM 572 SD MET A 40 -11.133 -11.978 10.230 1.00 12.50 S ATOM 573 CE MET A 40 -9.816 -13.211 10.364 1.00 50.00 C ATOM 0 H MET A 40 -12.109 -9.393 14.460 1.00 10.00 H new ATOM 0 HA MET A 40 -11.772 -8.602 11.585 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.346 -10.188 13.281 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.545 -11.373 12.804 1.00 10.00 H new ATOM 0 HG2 MET A 40 -10.300 -9.744 10.597 1.00 10.00 H new ATOM 0 HG3 MET A 40 -9.276 -10.939 11.367 1.00 10.00 H new ATOM 0 HE1 MET A 40 -9.299 -13.297 9.408 1.00 50.00 H new ATOM 0 HE2 MET A 40 -9.108 -12.904 11.134 1.00 50.00 H new ATOM 0 HE3 MET A 40 -10.247 -14.176 10.631 1.00 50.00 H new ATOM 583 N GLU A 41 -13.548 -10.199 10.586 1.00 10.00 N ATOM 584 CA GLU A 41 -14.832 -10.761 10.077 1.00 10.00 C ATOM 585 C GLU A 41 -14.563 -11.896 9.087 1.00 10.00 C ATOM 586 O GLU A 41 -14.006 -11.691 8.027 1.00 10.00 O ATOM 587 CB GLU A 41 -15.529 -9.593 9.378 1.00 10.00 C ATOM 588 CG GLU A 41 -17.013 -9.922 9.202 1.00 10.00 C ATOM 589 CD GLU A 41 -17.607 -9.036 8.105 1.00 12.50 C ATOM 590 OE1 GLU A 41 -17.562 -9.441 6.955 1.00 12.50 O ATOM 591 OE2 GLU A 41 -18.098 -7.969 8.433 1.00 12.50 O ATOM 0 H GLU A 41 -12.819 -10.071 9.884 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.442 -11.180 10.878 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -15.414 -8.682 9.965 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -15.068 -9.408 8.408 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -17.135 -10.973 8.940 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -17.545 -9.763 10.140 1.00 10.00 H new ATOM 598 N VAL A 42 -14.957 -13.094 9.426 1.00 10.00 N ATOM 599 CA VAL A 42 -14.729 -14.245 8.507 1.00 10.00 C ATOM 600 C VAL A 42 -15.729 -15.364 8.810 1.00 10.00 C ATOM 601 O VAL A 42 -16.073 -15.609 9.950 1.00 10.00 O ATOM 602 CB VAL A 42 -13.300 -14.707 8.794 1.00 10.00 C ATOM 603 CG1 VAL A 42 -13.138 -14.971 10.291 1.00 10.00 C ATOM 604 CG2 VAL A 42 -13.014 -15.993 8.016 1.00 10.00 C ATOM 0 H VAL A 42 -15.428 -13.325 10.301 1.00 10.00 H new ATOM 0 HA VAL A 42 -14.863 -13.973 7.460 1.00 10.00 H new ATOM 0 HB VAL A 42 -12.600 -13.931 8.485 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -12.119 -15.300 10.494 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -13.341 -14.055 10.846 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -13.838 -15.746 10.602 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -11.995 -16.323 8.220 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -13.715 -16.768 8.324 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -13.127 -15.805 6.948 1.00 10.00 H new ATOM 614 N ALA A 43 -16.199 -16.043 7.801 1.00 10.00 N ATOM 615 CA ALA A 43 -17.178 -17.143 8.034 1.00 10.00 C ATOM 616 C ALA A 43 -16.462 -18.383 8.574 1.00 10.00 C ATOM 617 O ALA A 43 -15.284 -18.577 8.349 1.00 10.00 O ATOM 618 CB ALA A 43 -17.785 -17.430 6.660 1.00 50.00 C ATOM 0 H ALA A 43 -15.948 -15.884 6.825 1.00 10.00 H new ATOM 0 HA ALA A 43 -17.938 -16.871 8.767 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -18.519 -18.231 6.747 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -18.272 -16.531 6.283 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -16.997 -17.732 5.970 1.00 50.00 H new ATOM 624 N GLU A 44 -17.164 -19.226 9.280 1.00 10.00 N ATOM 625 CA GLU A 44 -16.521 -20.453 9.829 1.00 10.00 C ATOM 626 C GLU A 44 -16.083 -21.369 8.685 1.00 10.00 C ATOM 627 O GLU A 44 -16.889 -21.844 7.911 1.00 10.00 O ATOM 628 CB GLU A 44 -17.600 -21.125 10.677 1.00 10.00 C ATOM 629 CG GLU A 44 -18.801 -21.469 9.794 1.00 10.00 C ATOM 630 CD GLU A 44 -18.955 -22.989 9.715 1.00 25.00 C ATOM 631 OE1 GLU A 44 -17.942 -23.668 9.698 1.00 25.00 O ATOM 632 OE2 GLU A 44 -20.085 -23.447 9.674 1.00 25.00 O ATOM 0 H GLU A 44 -18.154 -19.118 9.500 1.00 10.00 H new ATOM 0 HA GLU A 44 -15.631 -20.228 10.416 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -17.204 -22.029 11.139 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -17.908 -20.462 11.486 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -19.707 -21.021 10.203 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -18.663 -21.054 8.796 1.00 10.00 H new ATOM 639 N GLY A 45 -14.809 -21.615 8.571 1.00 10.00 N ATOM 640 CA GLY A 45 -14.311 -22.493 7.475 1.00 10.00 C ATOM 641 C GLY A 45 -13.240 -21.745 6.682 1.00 10.00 C ATOM 642 O GLY A 45 -12.520 -22.323 5.891 1.00 10.00 O ATOM 0 H GLY A 45 -14.088 -21.245 9.191 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -13.898 -23.413 7.889 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -15.133 -22.779 6.819 1.00 10.00 H new ATOM 646 N GLU A 46 -13.126 -20.462 6.891 1.00 10.00 N ATOM 647 CA GLU A 46 -12.100 -19.671 6.153 1.00 10.00 C ATOM 648 C GLU A 46 -10.901 -19.389 7.062 1.00 10.00 C ATOM 649 O GLU A 46 -11.018 -18.724 8.072 1.00 10.00 O ATOM 650 CB GLU A 46 -12.801 -18.367 5.771 1.00 10.00 C ATOM 651 CG GLU A 46 -13.910 -18.661 4.759 1.00 10.00 C ATOM 652 CD GLU A 46 -14.927 -17.518 4.773 1.00 10.00 C ATOM 653 OE1 GLU A 46 -14.556 -16.427 5.171 1.00 10.00 O ATOM 654 OE2 GLU A 46 -16.059 -17.755 4.386 1.00 10.00 O ATOM 0 H GLU A 46 -13.700 -19.926 7.542 1.00 10.00 H new ATOM 0 HA GLU A 46 -11.721 -20.199 5.278 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -13.220 -17.894 6.659 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -12.082 -17.666 5.346 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -13.486 -18.773 3.761 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -14.401 -19.603 5.004 1.00 10.00 H new ATOM 661 N TYR A 47 -9.750 -19.891 6.713 1.00 10.00 N ATOM 662 CA TYR A 47 -8.545 -19.653 7.558 1.00 10.00 C ATOM 663 C TYR A 47 -8.494 -18.190 8.010 1.00 10.00 C ATOM 664 O TYR A 47 -8.571 -17.279 7.209 1.00 10.00 O ATOM 665 CB TYR A 47 -7.358 -19.982 6.652 1.00 10.00 C ATOM 666 CG TYR A 47 -7.499 -21.394 6.131 1.00 10.00 C ATOM 667 CD1 TYR A 47 -8.176 -22.356 6.889 1.00 10.00 C ATOM 668 CD2 TYR A 47 -6.951 -21.740 4.889 1.00 10.00 C ATOM 669 CE1 TYR A 47 -8.306 -23.663 6.406 1.00 10.00 C ATOM 670 CE2 TYR A 47 -7.081 -23.048 4.407 1.00 10.00 C ATOM 671 CZ TYR A 47 -7.759 -24.009 5.165 1.00 10.00 C ATOM 672 OH TYR A 47 -7.886 -25.298 4.690 1.00 10.00 O ATOM 0 H TYR A 47 -9.590 -20.456 5.879 1.00 10.00 H new ATOM 0 HA TYR A 47 -8.546 -20.260 8.463 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -7.315 -19.279 5.820 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -6.425 -19.878 7.205 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -8.598 -22.090 7.847 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -6.428 -20.998 4.304 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.829 -24.405 6.991 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.658 -23.315 3.450 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.451 -25.368 3.815 1.00 10.00 H new ATOM 682 N ILE A 48 -8.366 -17.960 9.290 1.00 10.00 N ATOM 683 CA ILE A 48 -8.311 -16.556 9.796 1.00 10.00 C ATOM 684 C ILE A 48 -7.209 -15.775 9.075 1.00 10.00 C ATOM 685 O ILE A 48 -7.388 -14.634 8.699 1.00 10.00 O ATOM 686 CB ILE A 48 -7.986 -16.686 11.286 1.00 10.00 C ATOM 687 CG1 ILE A 48 -9.081 -17.499 11.980 1.00 10.00 C ATOM 688 CG2 ILE A 48 -7.910 -15.293 11.916 1.00 10.00 C ATOM 689 CD1 ILE A 48 -8.458 -18.345 13.094 1.00 10.00 C ATOM 0 H ILE A 48 -8.297 -18.682 10.007 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.244 -16.019 9.625 1.00 10.00 H new ATOM 0 HB ILE A 48 -7.028 -17.192 11.404 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -9.837 -16.832 12.394 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -9.584 -18.142 11.258 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -7.679 -15.386 12.977 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.129 -14.713 11.424 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -8.868 -14.787 11.796 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -9.237 -18.925 13.589 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -7.718 -19.022 12.666 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -7.975 -17.691 13.820 1.00 10.00 H new ATOM 701 N LEU A 49 -6.070 -16.380 8.883 1.00 10.00 N ATOM 702 CA LEU A 49 -4.953 -15.676 8.190 1.00 10.00 C ATOM 703 C LEU A 49 -5.425 -15.142 6.834 1.00 10.00 C ATOM 704 O LEU A 49 -5.081 -14.050 6.434 1.00 10.00 O ATOM 705 CB LEU A 49 -3.872 -16.744 8.006 1.00 10.00 C ATOM 706 CG LEU A 49 -2.885 -16.302 6.924 1.00 10.00 C ATOM 707 CD1 LEU A 49 -1.468 -16.716 7.326 1.00 10.00 C ATOM 708 CD2 LEU A 49 -3.254 -16.966 5.596 1.00 10.00 C ATOM 0 H LEU A 49 -5.863 -17.335 9.177 1.00 10.00 H new ATOM 0 HA LEU A 49 -4.587 -14.819 8.754 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.346 -16.907 8.946 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.330 -17.693 7.728 1.00 10.00 H new ATOM 0 HG LEU A 49 -2.928 -15.219 6.813 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -0.765 -16.401 6.555 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -1.205 -16.243 8.272 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -1.423 -17.799 7.437 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -2.551 -16.652 4.824 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -3.211 -18.050 5.707 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -4.263 -16.671 5.310 1.00 10.00 H new ATOM 720 N GLU A 50 -6.203 -15.909 6.121 1.00 10.00 N ATOM 721 CA GLU A 50 -6.687 -15.445 4.788 1.00 10.00 C ATOM 722 C GLU A 50 -7.816 -14.422 4.946 1.00 10.00 C ATOM 723 O GLU A 50 -7.826 -13.393 4.298 1.00 10.00 O ATOM 724 CB GLU A 50 -7.198 -16.706 4.092 1.00 10.00 C ATOM 725 CG GLU A 50 -6.492 -16.864 2.744 1.00 10.00 C ATOM 726 CD GLU A 50 -6.380 -18.349 2.396 1.00 50.00 C ATOM 727 OE1 GLU A 50 -5.403 -18.960 2.796 1.00 50.00 O ATOM 728 OE2 GLU A 50 -7.274 -18.850 1.733 1.00 50.00 O ATOM 0 H GLU A 50 -6.525 -16.835 6.402 1.00 10.00 H new ATOM 0 HA GLU A 50 -5.900 -14.952 4.218 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -7.013 -17.580 4.717 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.276 -16.642 3.945 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -7.048 -16.339 1.967 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -5.500 -16.414 2.786 1.00 10.00 H new ATOM 735 N ALA A 51 -8.771 -14.695 5.793 1.00 10.00 N ATOM 736 CA ALA A 51 -9.898 -13.734 5.977 1.00 10.00 C ATOM 737 C ALA A 51 -9.386 -12.407 6.539 1.00 10.00 C ATOM 738 O ALA A 51 -9.752 -11.343 6.083 1.00 10.00 O ATOM 739 CB ALA A 51 -10.841 -14.411 6.971 1.00 12.50 C ATOM 0 H ALA A 51 -8.821 -15.539 6.364 1.00 10.00 H new ATOM 0 HA ALA A 51 -10.396 -13.503 5.035 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.698 -13.764 7.158 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.186 -15.359 6.558 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.313 -14.594 7.907 1.00 12.50 H new ATOM 745 N ALA A 52 -8.544 -12.466 7.527 1.00 10.00 N ATOM 746 CA ALA A 52 -8.006 -11.209 8.125 1.00 10.00 C ATOM 747 C ALA A 52 -7.008 -10.550 7.171 1.00 10.00 C ATOM 748 O ALA A 52 -6.855 -9.345 7.154 1.00 10.00 O ATOM 749 CB ALA A 52 -7.313 -11.644 9.415 1.00 10.00 C ATOM 0 H ALA A 52 -8.202 -13.329 7.950 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.790 -10.476 8.314 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -6.891 -10.771 9.913 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.038 -12.123 10.074 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.516 -12.349 9.180 1.00 10.00 H new ATOM 755 N GLU A 53 -6.332 -11.329 6.375 1.00 10.00 N ATOM 756 CA GLU A 53 -5.349 -10.740 5.419 1.00 10.00 C ATOM 757 C GLU A 53 -6.081 -9.889 4.381 1.00 10.00 C ATOM 758 O GLU A 53 -5.580 -8.883 3.921 1.00 10.00 O ATOM 759 CB GLU A 53 -4.666 -11.936 4.756 1.00 10.00 C ATOM 760 CG GLU A 53 -3.738 -11.440 3.645 1.00 10.00 C ATOM 761 CD GLU A 53 -4.316 -11.835 2.285 1.00 10.00 C ATOM 762 OE1 GLU A 53 -4.760 -12.965 2.156 1.00 10.00 O ATOM 763 OE2 GLU A 53 -4.304 -11.001 1.393 1.00 10.00 O ATOM 0 H GLU A 53 -6.416 -12.345 6.343 1.00 10.00 H new ATOM 0 HA GLU A 53 -4.626 -10.091 5.913 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -4.097 -12.500 5.495 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -5.414 -12.614 4.345 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -3.628 -10.357 3.705 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -2.744 -11.869 3.768 1.00 10.00 H new ATOM 770 N ALA A 54 -7.267 -10.286 4.017 1.00 10.00 N ATOM 771 CA ALA A 54 -8.041 -9.500 3.014 1.00 10.00 C ATOM 772 C ALA A 54 -8.617 -8.243 3.672 1.00 10.00 C ATOM 773 O ALA A 54 -9.117 -7.356 3.011 1.00 10.00 O ATOM 774 CB ALA A 54 -9.164 -10.433 2.562 1.00 50.00 C ATOM 0 H ALA A 54 -7.735 -11.121 4.370 1.00 10.00 H new ATOM 0 HA ALA A 54 -7.426 -9.171 2.176 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -9.781 -9.926 1.820 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -8.734 -11.333 2.123 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -9.778 -10.706 3.420 1.00 50.00 H new ATOM 780 N GLN A 55 -8.546 -8.164 4.974 1.00 10.00 N ATOM 781 CA GLN A 55 -9.086 -6.969 5.681 1.00 10.00 C ATOM 782 C GLN A 55 -7.959 -5.976 5.979 1.00 10.00 C ATOM 783 O GLN A 55 -8.198 -4.847 6.359 1.00 10.00 O ATOM 784 CB GLN A 55 -9.675 -7.514 6.984 1.00 10.00 C ATOM 785 CG GLN A 55 -11.070 -8.082 6.718 1.00 10.00 C ATOM 786 CD GLN A 55 -12.125 -7.076 7.185 1.00 10.00 C ATOM 787 OE1 GLN A 55 -11.970 -5.886 6.998 1.00 10.00 O ATOM 788 NE2 GLN A 55 -13.200 -7.507 7.788 1.00 10.00 N ATOM 0 H GLN A 55 -8.137 -8.877 5.578 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.829 -6.438 5.086 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -9.027 -8.290 7.391 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.730 -6.721 7.730 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -11.194 -8.289 5.655 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -11.196 -9.028 7.244 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -13.331 -8.506 7.945 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -13.909 -6.844 8.102 1.00 10.00 H new ATOM 797 N GLY A 56 -6.732 -6.388 5.812 1.00 10.00 N ATOM 798 CA GLY A 56 -5.593 -5.468 6.090 1.00 10.00 C ATOM 799 C GLY A 56 -4.786 -6.006 7.274 1.00 10.00 C ATOM 800 O GLY A 56 -4.165 -5.259 8.005 1.00 10.00 O ATOM 0 H GLY A 56 -6.469 -7.321 5.495 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -4.956 -5.383 5.210 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.964 -4.468 6.313 1.00 10.00 H new ATOM 804 N TYR A 57 -4.792 -7.296 7.470 1.00 10.00 N ATOM 805 CA TYR A 57 -4.028 -7.884 8.607 1.00 10.00 C ATOM 806 C TYR A 57 -2.891 -8.766 8.082 1.00 10.00 C ATOM 807 O TYR A 57 -3.007 -9.397 7.050 1.00 10.00 O ATOM 808 CB TYR A 57 -5.046 -8.731 9.375 1.00 10.00 C ATOM 809 CG TYR A 57 -6.161 -7.851 9.880 1.00 10.00 C ATOM 810 CD1 TYR A 57 -5.876 -6.578 10.384 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.483 -8.313 9.845 1.00 10.00 C ATOM 812 CE1 TYR A 57 -6.914 -5.765 10.856 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.519 -7.500 10.315 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.236 -6.226 10.821 1.00 12.50 C ATOM 815 OH TYR A 57 -9.258 -5.424 11.285 1.00 12.50 O ATOM 0 H TYR A 57 -5.294 -7.969 6.891 1.00 10.00 H new ATOM 0 HA TYR A 57 -3.574 -7.118 9.236 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.449 -9.509 8.727 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.559 -9.233 10.211 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -4.857 -6.222 10.409 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.702 -9.296 9.455 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -6.695 -4.782 11.247 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.538 -7.855 10.288 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.012 -5.053 12.158 1.00 12.50 H new ATOM 825 N ASP A 58 -1.796 -8.822 8.789 1.00 10.00 N ATOM 826 CA ASP A 58 -0.656 -9.671 8.335 1.00 10.00 C ATOM 827 C ASP A 58 -0.352 -10.735 9.392 1.00 10.00 C ATOM 828 O ASP A 58 -0.318 -10.455 10.575 1.00 10.00 O ATOM 829 CB ASP A 58 0.522 -8.709 8.178 1.00 10.00 C ATOM 830 CG ASP A 58 0.730 -7.938 9.483 1.00 10.00 C ATOM 831 OD1 ASP A 58 -0.182 -7.235 9.885 1.00 10.00 O ATOM 832 OD2 ASP A 58 1.799 -8.062 10.057 1.00 10.00 O ATOM 0 H ASP A 58 -1.640 -8.317 9.661 1.00 10.00 H new ATOM 0 HA ASP A 58 -0.870 -10.196 7.404 1.00 10.00 H new ATOM 0 HB2 ASP A 58 1.426 -9.263 7.923 1.00 10.00 H new ATOM 0 HB3 ASP A 58 0.331 -8.015 7.360 1.00 10.00 H new ATOM 837 N TRP A 59 -0.142 -11.956 8.982 1.00 10.00 N ATOM 838 CA TRP A 59 0.144 -13.032 9.973 1.00 10.00 C ATOM 839 C TRP A 59 1.402 -13.806 9.576 1.00 10.00 C ATOM 840 O TRP A 59 1.687 -13.976 8.407 1.00 10.00 O ATOM 841 CB TRP A 59 -1.081 -13.949 9.932 1.00 10.00 C ATOM 842 CG TRP A 59 -2.323 -13.131 10.075 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.767 -12.230 9.170 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.285 -13.120 11.170 1.00 10.00 C ATOM 845 NE1 TRP A 59 -3.936 -11.663 9.641 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.296 -12.179 10.869 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.377 -13.827 12.382 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.360 -11.945 11.738 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.449 -13.595 13.261 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.437 -12.654 12.939 1.00 50.00 C ATOM 0 H TRP A 59 -0.156 -12.255 8.007 1.00 10.00 H new ATOM 0 HA TRP A 59 0.322 -12.630 10.970 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -1.103 -14.501 8.993 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -1.024 -14.685 10.734 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.287 -11.992 8.232 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.468 -10.950 9.142 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.619 -14.553 12.639 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -6.120 -11.220 11.485 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.512 -14.144 14.189 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.257 -12.477 13.619 1.00 50.00 H new ATOM 861 N PRO A 60 2.110 -14.254 10.574 1.00 10.00 N ATOM 862 CA PRO A 60 3.350 -15.029 10.343 1.00 10.00 C ATOM 863 C PRO A 60 3.006 -16.439 9.856 1.00 10.00 C ATOM 864 O PRO A 60 2.144 -17.100 10.401 1.00 10.00 O ATOM 865 CB PRO A 60 4.005 -15.076 11.719 1.00 10.00 C ATOM 866 CG PRO A 60 2.880 -14.905 12.691 1.00 10.00 C ATOM 867 CD PRO A 60 1.822 -14.080 12.004 1.00 10.00 C ATOM 0 HA PRO A 60 3.998 -14.590 9.584 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.523 -16.022 11.877 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.746 -14.285 11.830 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.479 -15.873 12.990 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.226 -14.409 13.598 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.820 -14.427 12.255 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.879 -13.032 12.298 1.00 10.00 H new ATOM 875 N PHE A 61 3.670 -16.903 8.835 1.00 10.00 N ATOM 876 CA PHE A 61 3.379 -18.270 8.317 1.00 10.00 C ATOM 877 C PHE A 61 4.568 -18.792 7.509 1.00 10.00 C ATOM 878 O PHE A 61 5.326 -18.033 6.936 1.00 10.00 O ATOM 879 CB PHE A 61 2.149 -18.110 7.423 1.00 10.00 C ATOM 880 CG PHE A 61 2.382 -16.989 6.436 1.00 10.00 C ATOM 881 CD1 PHE A 61 3.297 -17.156 5.389 1.00 10.00 C ATOM 882 CD2 PHE A 61 1.680 -15.784 6.567 1.00 10.00 C ATOM 883 CE1 PHE A 61 3.511 -16.118 4.475 1.00 10.00 C ATOM 884 CE2 PHE A 61 1.894 -14.746 5.653 1.00 10.00 C ATOM 885 CZ PHE A 61 2.810 -14.913 4.606 1.00 10.00 C ATOM 0 H PHE A 61 4.401 -16.396 8.337 1.00 10.00 H new ATOM 0 HA PHE A 61 3.202 -18.985 9.121 1.00 10.00 H new ATOM 0 HB2 PHE A 61 1.950 -19.041 6.891 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.270 -17.896 8.031 1.00 10.00 H new ATOM 0 HD1 PHE A 61 3.837 -18.086 5.287 1.00 10.00 H new ATOM 0 HD2 PHE A 61 0.973 -15.656 7.374 1.00 10.00 H new ATOM 0 HE1 PHE A 61 4.217 -16.246 3.668 1.00 10.00 H new ATOM 0 HE2 PHE A 61 1.353 -13.817 5.755 1.00 10.00 H new ATOM 0 HZ PHE A 61 2.975 -14.112 3.900 1.00 10.00 H new ATOM 895 N SER A 62 4.740 -20.083 7.466 1.00 10.00 N ATOM 896 CA SER A 62 5.880 -20.663 6.707 1.00 10.00 C ATOM 897 C SER A 62 5.461 -21.972 6.033 1.00 10.00 C ATOM 898 O SER A 62 5.554 -22.121 4.831 1.00 10.00 O ATOM 899 CB SER A 62 6.957 -20.929 7.760 1.00 10.00 C ATOM 900 OG SER A 62 6.777 -20.044 8.855 1.00 10.00 O ATOM 0 H SER A 62 4.136 -20.764 7.927 1.00 10.00 H new ATOM 0 HA SER A 62 6.230 -19.998 5.918 1.00 10.00 H new ATOM 0 HB2 SER A 62 6.900 -21.963 8.101 1.00 10.00 H new ATOM 0 HB3 SER A 62 7.947 -20.791 7.326 1.00 10.00 H new ATOM 0 HG SER A 62 7.651 -19.731 9.169 1.00 10.00 H new ATOM 906 N CYS A 63 5.021 -22.928 6.803 1.00 10.00 N ATOM 907 CA CYS A 63 4.616 -24.236 6.213 1.00 10.00 C ATOM 908 C CYS A 63 3.226 -24.138 5.550 1.00 10.00 C ATOM 909 O CYS A 63 2.993 -24.707 4.503 1.00 10.00 O ATOM 910 CB CYS A 63 4.652 -25.215 7.400 1.00 10.00 C ATOM 911 SG CYS A 63 3.056 -25.276 8.251 1.00 10.00 S ATOM 0 H CYS A 63 4.924 -22.861 7.816 1.00 10.00 H new ATOM 0 HA CYS A 63 5.275 -24.568 5.411 1.00 10.00 H new ATOM 0 HB2 CYS A 63 4.915 -26.211 7.045 1.00 10.00 H new ATOM 0 HB3 CYS A 63 5.429 -24.911 8.101 1.00 10.00 H new ATOM 0 HG CYS A 63 3.162 -24.705 9.414 1.00 10.00 H new ATOM 916 N ARG A 64 2.315 -23.401 6.131 1.00 10.00 N ATOM 917 CA ARG A 64 0.956 -23.243 5.513 1.00 10.00 C ATOM 918 C ARG A 64 0.253 -24.595 5.316 1.00 10.00 C ATOM 919 O ARG A 64 -0.530 -24.770 4.405 1.00 10.00 O ATOM 920 CB ARG A 64 1.220 -22.581 4.160 1.00 10.00 C ATOM 921 CG ARG A 64 2.125 -21.362 4.359 1.00 10.00 C ATOM 922 CD ARG A 64 2.447 -20.738 3.000 1.00 10.00 C ATOM 923 NE ARG A 64 1.119 -20.411 2.406 1.00 10.00 N ATOM 924 CZ ARG A 64 1.033 -20.073 1.148 1.00 10.00 C ATOM 925 NH1 ARG A 64 1.595 -20.814 0.233 1.00 10.00 N ATOM 926 NH2 ARG A 64 0.383 -18.994 0.807 1.00 10.00 N ATOM 0 H ARG A 64 2.450 -22.899 7.009 1.00 10.00 H new ATOM 0 HA ARG A 64 0.297 -22.656 6.152 1.00 10.00 H new ATOM 0 HB2 ARG A 64 1.692 -23.291 3.481 1.00 10.00 H new ATOM 0 HB3 ARG A 64 0.279 -22.278 3.701 1.00 10.00 H new ATOM 0 HG2 ARG A 64 1.632 -20.630 4.999 1.00 10.00 H new ATOM 0 HG3 ARG A 64 3.045 -21.657 4.863 1.00 10.00 H new ATOM 0 HD2 ARG A 64 3.061 -19.845 3.111 1.00 10.00 H new ATOM 0 HD3 ARG A 64 3.003 -21.431 2.368 1.00 10.00 H new ATOM 0 HE ARG A 64 0.278 -20.451 2.982 1.00 10.00 H new ATOM 0 HH11 ARG A 64 2.102 -21.658 0.500 1.00 10.00 H new ATOM 0 HH12 ARG A 64 1.528 -20.550 -0.750 1.00 10.00 H new ATOM 0 HH21 ARG A 64 -0.057 -18.416 1.523 1.00 10.00 H new ATOM 0 HH22 ARG A 64 0.315 -18.729 -0.176 1.00 10.00 H new ATOM 940 N ALA A 65 0.521 -25.543 6.165 1.00 10.00 N ATOM 941 CA ALA A 65 -0.132 -26.877 6.042 1.00 10.00 C ATOM 942 C ALA A 65 -0.541 -27.401 7.426 1.00 10.00 C ATOM 943 O ALA A 65 -1.047 -28.497 7.557 1.00 10.00 O ATOM 944 CB ALA A 65 0.933 -27.780 5.420 1.00 10.00 C ATOM 0 H ALA A 65 1.170 -25.452 6.947 1.00 10.00 H new ATOM 0 HA ALA A 65 -1.039 -26.838 5.439 1.00 10.00 H new ATOM 0 HB1 ALA A 65 0.530 -28.785 5.295 1.00 10.00 H new ATOM 0 HB2 ALA A 65 1.224 -27.383 4.448 1.00 10.00 H new ATOM 0 HB3 ALA A 65 1.805 -27.817 6.073 1.00 10.00 H new ATOM 950 N GLY A 66 -0.328 -26.627 8.460 1.00 10.00 N ATOM 951 CA GLY A 66 -0.708 -27.085 9.828 1.00 10.00 C ATOM 952 C GLY A 66 0.356 -28.047 10.371 1.00 10.00 C ATOM 953 O GLY A 66 0.043 -29.025 11.022 1.00 10.00 O ATOM 0 H GLY A 66 0.092 -25.699 8.415 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -0.809 -26.227 10.493 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -1.678 -27.581 9.798 1.00 10.00 H new ATOM 957 N ALA A 67 1.610 -27.788 10.108 1.00 10.00 N ATOM 958 CA ALA A 67 2.677 -28.704 10.609 1.00 10.00 C ATOM 959 C ALA A 67 3.768 -27.930 11.366 1.00 10.00 C ATOM 960 O ALA A 67 4.803 -28.475 11.696 1.00 10.00 O ATOM 961 CB ALA A 67 3.259 -29.352 9.354 1.00 10.00 C ATOM 0 H ALA A 67 1.940 -26.986 9.571 1.00 10.00 H new ATOM 0 HA ALA A 67 2.280 -29.437 11.312 1.00 10.00 H new ATOM 0 HB1 ALA A 67 4.053 -30.043 9.636 1.00 10.00 H new ATOM 0 HB2 ALA A 67 2.474 -29.896 8.828 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.665 -28.580 8.701 1.00 10.00 H new ATOM 967 N CYS A 68 3.553 -26.673 11.653 1.00 10.00 N ATOM 968 CA CYS A 68 4.594 -25.902 12.398 1.00 10.00 C ATOM 969 C CYS A 68 3.932 -24.869 13.324 1.00 10.00 C ATOM 970 O CYS A 68 2.725 -24.838 13.464 1.00 10.00 O ATOM 971 CB CYS A 68 5.473 -25.252 11.312 1.00 10.00 C ATOM 972 SG CYS A 68 4.871 -23.601 10.872 1.00 10.00 S ATOM 0 H CYS A 68 2.712 -26.151 11.408 1.00 10.00 H new ATOM 0 HA CYS A 68 5.199 -26.530 13.051 1.00 10.00 H new ATOM 0 HB2 CYS A 68 6.501 -25.183 11.668 1.00 10.00 H new ATOM 0 HB3 CYS A 68 5.484 -25.885 10.425 1.00 10.00 H new ATOM 0 HG CYS A 68 5.639 -23.089 9.957 1.00 10.00 H new ATOM 977 N ALA A 69 4.706 -24.041 13.978 1.00 10.00 N ATOM 978 CA ALA A 69 4.099 -23.040 14.909 1.00 10.00 C ATOM 979 C ALA A 69 4.518 -21.610 14.542 1.00 10.00 C ATOM 980 O ALA A 69 4.269 -20.677 15.278 1.00 10.00 O ATOM 981 CB ALA A 69 4.635 -23.413 16.291 1.00 25.00 C ATOM 0 H ALA A 69 5.723 -24.013 13.910 1.00 10.00 H new ATOM 0 HA ALA A 69 3.010 -23.060 14.864 1.00 10.00 H new ATOM 0 HB1 ALA A 69 4.235 -22.723 17.035 1.00 25.00 H new ATOM 0 HB2 ALA A 69 4.329 -24.430 16.538 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.723 -23.352 16.288 1.00 25.00 H new ATOM 987 N ASN A 70 5.148 -21.429 13.417 1.00 10.00 N ATOM 988 CA ASN A 70 5.576 -20.057 13.016 1.00 10.00 C ATOM 989 C ASN A 70 4.367 -19.116 12.957 1.00 10.00 C ATOM 990 O ASN A 70 4.486 -17.925 13.171 1.00 10.00 O ATOM 991 CB ASN A 70 6.189 -20.226 11.625 1.00 50.00 C ATOM 992 CG ASN A 70 7.673 -20.568 11.757 1.00 50.00 C ATOM 993 OD1 ASN A 70 8.059 -21.713 11.629 1.00 50.00 O ATOM 994 ND2 ASN A 70 8.531 -19.617 12.011 1.00 50.00 N ATOM 0 H ASN A 70 5.386 -22.169 12.757 1.00 10.00 H new ATOM 0 HA ASN A 70 6.280 -19.622 13.725 1.00 10.00 H new ATOM 0 HB2 ASN A 70 5.670 -21.016 11.081 1.00 50.00 H new ATOM 0 HB3 ASN A 70 6.067 -19.309 11.049 1.00 50.00 H new ATOM 0 HD21 ASN A 70 9.523 -19.836 12.102 1.00 50.00 H new ATOM 0 HD22 ASN A 70 8.209 -18.655 12.119 1.00 50.00 H new ATOM 1001 N CYS A 71 3.205 -19.639 12.672 1.00 10.00 N ATOM 1002 CA CYS A 71 1.991 -18.770 12.603 1.00 10.00 C ATOM 1003 C CYS A 71 1.197 -18.870 13.912 1.00 10.00 C ATOM 1004 O CYS A 71 0.082 -18.398 14.014 1.00 10.00 O ATOM 1005 CB CYS A 71 1.174 -19.323 11.429 1.00 10.00 C ATOM 1006 SG CYS A 71 0.382 -20.881 11.911 1.00 10.00 S ATOM 0 H CYS A 71 3.042 -20.628 12.484 1.00 10.00 H new ATOM 0 HA CYS A 71 2.240 -17.718 12.463 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.418 -18.598 11.127 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.822 -19.485 10.568 1.00 10.00 H new ATOM 0 HG CYS A 71 -0.131 -21.450 10.861 1.00 10.00 H new ATOM 1011 N ALA A 72 1.762 -19.497 14.905 1.00 10.00 N ATOM 1012 CA ALA A 72 1.046 -19.649 16.205 1.00 10.00 C ATOM 1013 C ALA A 72 0.295 -18.365 16.580 1.00 10.00 C ATOM 1014 O ALA A 72 0.633 -17.277 16.152 1.00 10.00 O ATOM 1015 CB ALA A 72 2.143 -19.942 17.227 1.00 10.00 C ATOM 0 H ALA A 72 2.693 -19.913 14.874 1.00 10.00 H new ATOM 0 HA ALA A 72 0.297 -20.439 16.160 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.697 -20.068 18.214 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.667 -20.856 16.947 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.849 -19.112 17.251 1.00 10.00 H new ATOM 1021 N SER A 73 -0.724 -18.497 17.388 1.00 10.00 N ATOM 1022 CA SER A 73 -1.515 -17.307 17.817 1.00 10.00 C ATOM 1023 C SER A 73 -1.942 -17.473 19.277 1.00 10.00 C ATOM 1024 O SER A 73 -1.454 -18.334 19.981 1.00 10.00 O ATOM 1025 CB SER A 73 -2.737 -17.292 16.899 1.00 50.00 C ATOM 1026 OG SER A 73 -2.644 -16.195 16.003 1.00 50.00 O ATOM 0 H SER A 73 -1.044 -19.386 17.772 1.00 10.00 H new ATOM 0 HA SER A 73 -0.947 -16.379 17.749 1.00 10.00 H new ATOM 0 HB2 SER A 73 -2.797 -18.226 16.341 1.00 50.00 H new ATOM 0 HB3 SER A 73 -3.649 -17.215 17.491 1.00 50.00 H new ATOM 0 HG SER A 73 -2.653 -15.357 16.510 1.00 50.00 H new ATOM 1032 N ILE A 74 -2.852 -16.662 19.738 1.00 10.00 N ATOM 1033 CA ILE A 74 -3.309 -16.782 21.149 1.00 10.00 C ATOM 1034 C ILE A 74 -4.783 -16.380 21.253 1.00 10.00 C ATOM 1035 O ILE A 74 -5.111 -15.231 21.475 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.417 -15.823 21.939 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -1.011 -16.415 22.051 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -2.996 -15.618 23.341 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -1.077 -17.750 22.800 1.00 10.00 C ATOM 0 H ILE A 74 -3.299 -15.921 19.198 1.00 10.00 H new ATOM 0 HA ILE A 74 -3.233 -17.800 21.531 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.371 -14.864 21.424 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.587 -16.564 21.058 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.354 -15.723 22.577 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -2.358 -14.934 23.902 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.999 -15.197 23.263 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.044 -16.576 23.859 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -0.075 -18.172 22.880 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -1.483 -17.587 23.798 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.720 -18.441 22.255 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.673 -17.319 21.082 1.00 10.00 N ATOM 1052 CA VAL A 75 -7.127 -16.994 21.160 1.00 10.00 C ATOM 1053 C VAL A 75 -7.462 -16.369 22.520 1.00 10.00 C ATOM 1054 O VAL A 75 -7.151 -16.916 23.557 1.00 10.00 O ATOM 1055 CB VAL A 75 -7.845 -18.342 20.948 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -8.616 -18.768 22.206 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -8.827 -18.198 19.785 1.00 50.00 C ATOM 0 H VAL A 75 -5.457 -18.297 20.892 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.438 -16.262 20.415 1.00 10.00 H new ATOM 0 HB VAL A 75 -7.096 -19.104 20.732 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -9.111 -19.722 22.024 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -7.922 -18.873 23.040 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -9.363 -18.012 22.448 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -9.342 -19.145 19.624 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.557 -17.423 20.019 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -8.283 -17.923 18.881 1.00 50.00 H new ATOM 1067 N LYS A 76 -8.102 -15.233 22.523 1.00 10.00 N ATOM 1068 CA LYS A 76 -8.459 -14.592 23.819 1.00 10.00 C ATOM 1069 C LYS A 76 -9.942 -14.820 24.123 1.00 10.00 C ATOM 1070 O LYS A 76 -10.462 -14.348 25.115 1.00 10.00 O ATOM 1071 CB LYS A 76 -8.172 -13.105 23.621 1.00 25.00 C ATOM 1072 CG LYS A 76 -7.878 -12.459 24.977 1.00 25.00 C ATOM 1073 CD LYS A 76 -9.108 -11.679 25.443 1.00 50.00 C ATOM 1074 CE LYS A 76 -9.374 -11.981 26.920 1.00 50.00 C ATOM 1075 NZ LYS A 76 -10.852 -12.142 27.016 1.00 50.00 N ATOM 0 H LYS A 76 -8.392 -14.723 21.689 1.00 10.00 H new ATOM 0 HA LYS A 76 -7.894 -15.004 24.655 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -7.322 -12.973 22.951 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -9.026 -12.618 23.151 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -7.620 -13.224 25.709 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -7.019 -11.792 24.897 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -8.949 -10.610 25.302 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -9.975 -11.954 24.843 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -8.856 -12.886 27.238 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -9.022 -11.171 27.559 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -11.114 -12.368 27.997 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -11.317 -11.257 26.729 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -11.159 -12.913 26.389 1.00 50.00 H new ATOM 1089 N GLU A 77 -10.625 -15.542 23.277 1.00 10.00 N ATOM 1090 CA GLU A 77 -12.075 -15.807 23.512 1.00 10.00 C ATOM 1091 C GLU A 77 -12.679 -16.517 22.297 1.00 10.00 C ATOM 1092 O GLU A 77 -12.328 -16.239 21.168 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.710 -14.427 23.698 1.00 10.00 C ATOM 1094 CG GLU A 77 -13.509 -14.407 25.004 1.00 10.00 C ATOM 1095 CD GLU A 77 -15.001 -14.289 24.689 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -15.373 -14.572 23.563 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -15.746 -13.916 25.581 1.00 25.00 O ATOM 0 H GLU A 77 -10.241 -15.961 22.430 1.00 10.00 H new ATOM 0 HA GLU A 77 -12.244 -16.449 24.377 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -11.937 -13.659 23.720 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -13.363 -14.198 22.856 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -13.318 -15.317 25.573 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -13.190 -13.569 25.625 1.00 10.00 H new ATOM 1104 N GLY A 78 -13.582 -17.432 22.520 1.00 10.00 N ATOM 1105 CA GLY A 78 -14.206 -18.159 21.377 1.00 10.00 C ATOM 1106 C GLY A 78 -13.543 -19.529 21.217 1.00 10.00 C ATOM 1107 O GLY A 78 -12.791 -19.969 22.064 1.00 10.00 O ATOM 0 H GLY A 78 -13.915 -17.708 23.444 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -15.276 -18.279 21.550 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -14.094 -17.580 20.460 1.00 10.00 H new ATOM 1111 N GLU A 79 -13.817 -20.209 20.138 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.203 -21.552 19.925 1.00 10.00 C ATOM 1113 C GLU A 79 -12.958 -21.790 18.432 1.00 10.00 C ATOM 1114 O GLU A 79 -13.884 -21.932 17.657 1.00 10.00 O ATOM 1115 CB GLU A 79 -14.230 -22.547 20.467 1.00 25.00 C ATOM 1116 CG GLU A 79 -13.729 -23.973 20.235 1.00 25.00 C ATOM 1117 CD GLU A 79 -13.978 -24.813 21.489 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -13.379 -24.511 22.508 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -14.763 -25.744 21.409 1.00 50.00 O ATOM 0 H GLU A 79 -14.439 -19.894 19.394 1.00 10.00 H new ATOM 0 HA GLU A 79 -12.239 -21.650 20.424 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -14.392 -22.376 21.531 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -15.190 -22.402 19.971 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -14.242 -24.415 19.381 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -12.665 -23.962 19.998 1.00 25.00 H new ATOM 1126 N ILE A 80 -11.720 -21.830 18.023 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.418 -22.056 16.579 1.00 10.00 C ATOM 1128 C ILE A 80 -11.396 -23.556 16.268 1.00 10.00 C ATOM 1129 O ILE A 80 -11.024 -24.365 17.094 1.00 10.00 O ATOM 1130 CB ILE A 80 -10.034 -21.443 16.360 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -10.118 -19.921 16.503 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.536 -21.796 14.958 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -8.742 -19.307 16.238 1.00 50.00 C ATOM 0 H ILE A 80 -10.904 -21.716 18.625 1.00 10.00 H new ATOM 0 HA ILE A 80 -12.169 -21.609 15.928 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.342 -21.839 17.103 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -10.849 -19.519 15.801 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -10.459 -19.657 17.504 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.550 -21.359 14.802 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.473 -22.879 14.856 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -10.229 -21.401 14.215 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -8.801 -18.223 16.340 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -8.024 -19.700 16.957 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -8.419 -19.559 15.228 1.00 50.00 H new ATOM 1145 N ASP A 81 -11.789 -23.930 15.080 1.00 10.00 N ATOM 1146 CA ASP A 81 -11.789 -25.376 14.715 1.00 10.00 C ATOM 1147 C ASP A 81 -10.446 -25.763 14.093 1.00 10.00 C ATOM 1148 O ASP A 81 -9.826 -24.985 13.393 1.00 10.00 O ATOM 1149 CB ASP A 81 -12.916 -25.528 13.694 1.00 10.00 C ATOM 1150 CG ASP A 81 -13.812 -26.701 14.093 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -13.933 -26.953 15.280 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -14.364 -27.329 13.204 1.00 10.00 O ATOM 0 H ASP A 81 -12.110 -23.297 14.347 1.00 10.00 H new ATOM 0 HA ASP A 81 -11.936 -26.021 15.582 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -13.502 -24.610 13.644 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -12.501 -25.696 12.700 1.00 10.00 H new ATOM 1157 N MET A 82 -9.991 -26.962 14.340 1.00 12.50 N ATOM 1158 CA MET A 82 -8.688 -27.400 13.762 1.00 12.50 C ATOM 1159 C MET A 82 -8.719 -28.904 13.475 1.00 12.50 C ATOM 1160 O MET A 82 -8.897 -29.712 14.365 1.00 12.50 O ATOM 1161 CB MET A 82 -7.652 -27.082 14.840 1.00 12.50 C ATOM 1162 CG MET A 82 -6.286 -26.859 14.188 1.00 12.50 C ATOM 1163 SD MET A 82 -5.475 -28.455 13.926 1.00 12.50 S ATOM 1164 CE MET A 82 -4.560 -28.507 15.486 1.00 50.00 C ATOM 0 H MET A 82 -10.465 -27.657 14.917 1.00 12.50 H new ATOM 0 HA MET A 82 -8.463 -26.900 12.820 1.00 12.50 H new ATOM 0 HB2 MET A 82 -7.951 -26.193 15.395 1.00 12.50 H new ATOM 0 HB3 MET A 82 -7.595 -27.901 15.557 1.00 12.50 H new ATOM 0 HG2 MET A 82 -6.405 -26.339 13.237 1.00 12.50 H new ATOM 0 HG3 MET A 82 -5.667 -26.224 14.823 1.00 12.50 H new ATOM 0 HE1 MET A 82 -3.627 -29.052 15.343 1.00 50.00 H new ATOM 0 HE2 MET A 82 -4.340 -27.491 15.813 1.00 50.00 H new ATOM 0 HE3 MET A 82 -5.161 -29.010 16.244 1.00 50.00 H new ATOM 1174 N ASP A 83 -8.546 -29.287 12.240 1.00 50.00 N ATOM 1175 CA ASP A 83 -8.567 -30.738 11.897 1.00 50.00 C ATOM 1176 C ASP A 83 -7.562 -31.504 12.763 1.00 50.00 C ATOM 1177 O ASP A 83 -6.584 -30.953 13.231 1.00 50.00 O ATOM 1178 CB ASP A 83 -8.163 -30.801 10.424 1.00 50.00 C ATOM 1179 CG ASP A 83 -9.331 -30.327 9.558 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -10.439 -30.780 9.795 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -9.100 -29.519 8.675 1.00 50.00 O ATOM 0 H ASP A 83 -8.391 -28.658 11.452 1.00 50.00 H new ATOM 0 HA ASP A 83 -9.543 -31.189 12.073 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -7.288 -30.175 10.248 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -7.886 -31.820 10.154 1.00 50.00 H new ATOM 1186 N MET A 84 -7.797 -32.769 12.983 1.00 50.00 N ATOM 1187 CA MET A 84 -6.857 -33.570 13.821 1.00 50.00 C ATOM 1188 C MET A 84 -5.411 -33.329 13.380 1.00 50.00 C ATOM 1189 O MET A 84 -5.105 -33.304 12.205 1.00 50.00 O ATOM 1190 CB MET A 84 -7.254 -35.028 13.582 1.00 50.00 C ATOM 1191 CG MET A 84 -6.960 -35.408 12.128 1.00 50.00 C ATOM 1192 SD MET A 84 -7.739 -36.998 11.752 1.00 50.00 S ATOM 1193 CE MET A 84 -6.330 -37.740 10.892 1.00 50.00 C ATOM 0 H MET A 84 -8.599 -33.283 12.619 1.00 50.00 H new ATOM 0 HA MET A 84 -6.915 -33.299 14.875 1.00 50.00 H new ATOM 0 HB2 MET A 84 -6.702 -35.681 14.258 1.00 50.00 H new ATOM 0 HB3 MET A 84 -8.313 -35.167 13.798 1.00 50.00 H new ATOM 0 HG2 MET A 84 -7.338 -34.638 11.456 1.00 50.00 H new ATOM 0 HG3 MET A 84 -5.884 -35.471 11.968 1.00 50.00 H new ATOM 0 HE1 MET A 84 -6.592 -38.746 10.565 1.00 50.00 H new ATOM 0 HE2 MET A 84 -6.072 -37.132 10.025 1.00 50.00 H new ATOM 0 HE3 MET A 84 -5.476 -37.789 11.568 1.00 50.00 H new ATOM 1203 N GLN A 85 -4.522 -33.152 14.317 1.00 16.66 N ATOM 1204 CA GLN A 85 -3.093 -32.914 13.960 1.00 16.66 C ATOM 1205 C GLN A 85 -2.192 -33.279 15.145 1.00 16.66 C ATOM 1206 O GLN A 85 -2.652 -33.444 16.257 1.00 16.66 O ATOM 1207 CB GLN A 85 -3.004 -31.418 13.654 1.00 16.66 C ATOM 1208 CG GLN A 85 -2.306 -31.216 12.308 1.00 16.66 C ATOM 1209 CD GLN A 85 -3.329 -30.763 11.264 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -3.418 -29.591 10.953 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -4.109 -31.648 10.706 1.00 16.66 N ATOM 0 H GLN A 85 -4.722 -33.162 15.317 1.00 16.66 H new ATOM 0 HA GLN A 85 -2.768 -33.519 13.113 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -4.002 -30.981 13.628 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -2.452 -30.906 14.443 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -1.516 -30.472 12.405 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -1.832 -32.145 11.989 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -4.034 -32.631 10.967 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -4.794 -31.357 10.008 1.00 16.66 H new ATOM 1220 N GLN A 86 -0.912 -33.412 14.918 1.00 16.66 N ATOM 1221 CA GLN A 86 0.005 -33.769 16.040 1.00 16.66 C ATOM 1222 C GLN A 86 1.120 -32.729 16.175 1.00 16.66 C ATOM 1223 O GLN A 86 2.160 -32.992 16.745 1.00 16.66 O ATOM 1224 CB GLN A 86 0.584 -35.132 15.662 1.00 16.66 C ATOM 1225 CG GLN A 86 0.638 -36.022 16.906 1.00 16.66 C ATOM 1226 CD GLN A 86 0.690 -37.490 16.482 1.00 50.00 C ATOM 1227 OE1 GLN A 86 0.415 -37.816 15.344 1.00 50.00 O ATOM 1228 NE2 GLN A 86 1.035 -38.398 17.354 1.00 50.00 N ATOM 0 H GLN A 86 -0.464 -33.290 14.010 1.00 16.66 H new ATOM 0 HA GLN A 86 -0.513 -33.797 16.998 1.00 16.66 H new ATOM 0 HB2 GLN A 86 -0.030 -35.600 14.893 1.00 16.66 H new ATOM 0 HB3 GLN A 86 1.583 -35.012 15.243 1.00 16.66 H new ATOM 0 HG2 GLN A 86 1.514 -35.774 17.505 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -0.237 -35.844 17.532 1.00 16.66 H new ATOM 0 HE21 GLN A 86 1.266 -38.126 18.309 1.00 50.00 H new ATOM 0 HE22 GLN A 86 1.074 -39.380 17.080 1.00 50.00 H new ATOM 1237 N ILE A 87 0.912 -31.548 15.661 1.00 12.50 N ATOM 1238 CA ILE A 87 1.961 -30.496 15.771 1.00 12.50 C ATOM 1239 C ILE A 87 1.805 -29.744 17.094 1.00 12.50 C ATOM 1240 O ILE A 87 2.769 -29.295 17.684 1.00 12.50 O ATOM 1241 CB ILE A 87 1.718 -29.565 14.580 1.00 50.00 C ATOM 1242 CG1 ILE A 87 2.799 -28.476 14.547 1.00 50.00 C ATOM 1243 CG2 ILE A 87 0.335 -28.922 14.699 1.00 50.00 C ATOM 1244 CD1 ILE A 87 2.527 -27.420 15.627 1.00 50.00 C ATOM 0 H ILE A 87 0.063 -31.267 15.171 1.00 12.50 H new ATOM 0 HA ILE A 87 2.970 -30.908 15.757 1.00 12.50 H new ATOM 0 HB ILE A 87 1.763 -30.143 13.657 1.00 50.00 H new ATOM 0 HG12 ILE A 87 3.780 -28.924 14.706 1.00 50.00 H new ATOM 0 HG13 ILE A 87 2.819 -28.004 13.565 1.00 50.00 H new ATOM 0 HG21 ILE A 87 0.167 -28.260 13.849 1.00 50.00 H new ATOM 0 HG22 ILE A 87 -0.428 -29.700 14.710 1.00 50.00 H new ATOM 0 HG23 ILE A 87 0.280 -28.347 15.623 1.00 50.00 H new ATOM 0 HD11 ILE A 87 3.302 -26.655 15.591 1.00 50.00 H new ATOM 0 HD12 ILE A 87 1.555 -26.960 15.450 1.00 50.00 H new ATOM 0 HD13 ILE A 87 2.531 -27.894 16.609 1.00 50.00 H new ATOM 1256 N LEU A 88 0.598 -29.609 17.567 1.00 12.50 N ATOM 1257 CA LEU A 88 0.375 -28.894 18.855 1.00 12.50 C ATOM 1258 C LEU A 88 -0.424 -29.782 19.812 1.00 12.50 C ATOM 1259 O LEU A 88 -0.635 -30.951 19.556 1.00 12.50 O ATOM 1260 CB LEU A 88 -0.423 -27.644 18.483 1.00 12.50 C ATOM 1261 CG LEU A 88 0.514 -26.434 18.442 1.00 12.50 C ATOM 1262 CD1 LEU A 88 -0.210 -25.248 17.803 1.00 12.50 C ATOM 1263 CD2 LEU A 88 0.934 -26.068 19.866 1.00 12.50 C ATOM 0 H LEU A 88 -0.246 -29.964 17.117 1.00 12.50 H new ATOM 0 HA LEU A 88 1.308 -28.641 19.358 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -0.901 -27.780 17.513 1.00 12.50 H new ATOM 0 HB3 LEU A 88 -1.218 -27.477 19.210 1.00 12.50 H new ATOM 0 HG LEU A 88 1.398 -26.679 17.853 1.00 12.50 H new ATOM 0 HD11 LEU A 88 0.458 -24.387 17.774 1.00 12.50 H new ATOM 0 HD12 LEU A 88 -0.510 -25.509 16.788 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -1.094 -25.002 18.391 1.00 12.50 H new ATOM 0 HD21 LEU A 88 1.601 -25.207 19.838 1.00 12.50 H new ATOM 0 HD22 LEU A 88 0.050 -25.823 20.455 1.00 12.50 H new ATOM 0 HD23 LEU A 88 1.451 -26.913 20.321 1.00 12.50 H new ATOM 1275 N SER A 89 -0.869 -29.239 20.910 1.00 12.50 N ATOM 1276 CA SER A 89 -1.653 -30.059 21.880 1.00 12.50 C ATOM 1277 C SER A 89 -2.953 -29.343 22.252 1.00 12.50 C ATOM 1278 O SER A 89 -2.996 -28.135 22.373 1.00 12.50 O ATOM 1279 CB SER A 89 -0.748 -30.197 23.107 1.00 12.50 C ATOM 1280 OG SER A 89 0.310 -29.252 23.027 1.00 12.50 O ATOM 0 H SER A 89 -0.725 -28.266 21.179 1.00 12.50 H new ATOM 0 HA SER A 89 -1.932 -31.028 21.467 1.00 12.50 H new ATOM 0 HB2 SER A 89 -1.325 -30.036 24.017 1.00 12.50 H new ATOM 0 HB3 SER A 89 -0.343 -31.208 23.161 1.00 12.50 H new ATOM 0 HG SER A 89 0.506 -28.903 23.922 1.00 12.50 H new ATOM 1286 N ASP A 90 -4.015 -30.080 22.435 1.00 10.00 N ATOM 1287 CA ASP A 90 -5.311 -29.441 22.803 1.00 10.00 C ATOM 1288 C ASP A 90 -5.134 -28.588 24.059 1.00 10.00 C ATOM 1289 O ASP A 90 -5.651 -27.494 24.159 1.00 10.00 O ATOM 1290 CB ASP A 90 -6.266 -30.603 23.073 1.00 10.00 C ATOM 1291 CG ASP A 90 -7.430 -30.546 22.081 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -7.265 -31.034 20.975 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -8.466 -30.012 22.444 1.00 10.00 O ATOM 0 H ASP A 90 -4.041 -31.096 22.346 1.00 10.00 H new ATOM 0 HA ASP A 90 -5.686 -28.783 22.019 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -5.738 -31.552 22.977 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -6.642 -30.549 24.095 1.00 10.00 H new ATOM 1298 N GLU A 91 -4.399 -29.082 25.014 1.00 12.50 N ATOM 1299 CA GLU A 91 -4.178 -28.303 26.265 1.00 12.50 C ATOM 1300 C GLU A 91 -3.553 -26.950 25.924 1.00 12.50 C ATOM 1301 O GLU A 91 -3.791 -25.958 26.584 1.00 12.50 O ATOM 1302 CB GLU A 91 -3.213 -29.151 27.094 1.00 12.50 C ATOM 1303 CG GLU A 91 -2.852 -28.407 28.381 1.00 12.50 C ATOM 1304 CD GLU A 91 -1.335 -28.214 28.450 1.00 50.00 C ATOM 1305 OE1 GLU A 91 -0.626 -29.192 28.281 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -0.911 -27.092 28.669 1.00 50.00 O ATOM 0 H GLU A 91 -3.941 -29.993 24.983 1.00 12.50 H new ATOM 0 HA GLU A 91 -5.103 -28.103 26.805 1.00 12.50 H new ATOM 0 HB2 GLU A 91 -3.670 -30.111 27.333 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -2.312 -29.362 26.519 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -3.354 -27.440 28.408 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -3.198 -28.970 29.248 1.00 12.50 H new ATOM 1313 N GLU A 92 -2.761 -26.900 24.887 1.00 10.00 N ATOM 1314 CA GLU A 92 -2.129 -25.610 24.494 1.00 10.00 C ATOM 1315 C GLU A 92 -3.207 -24.636 24.014 1.00 10.00 C ATOM 1316 O GLU A 92 -3.073 -23.435 24.129 1.00 10.00 O ATOM 1317 CB GLU A 92 -1.178 -25.967 23.352 1.00 50.00 C ATOM 1318 CG GLU A 92 0.219 -25.423 23.657 1.00 50.00 C ATOM 1319 CD GLU A 92 1.111 -26.562 24.156 1.00 50.00 C ATOM 1320 OE1 GLU A 92 0.589 -27.462 24.793 1.00 50.00 O ATOM 1321 OE2 GLU A 92 2.301 -26.515 23.891 1.00 50.00 O ATOM 0 H GLU A 92 -2.525 -27.697 24.296 1.00 10.00 H new ATOM 0 HA GLU A 92 -1.604 -25.130 25.320 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -1.138 -27.049 23.224 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -1.546 -25.548 22.415 1.00 50.00 H new ATOM 0 HG2 GLU A 92 0.650 -24.975 22.762 1.00 50.00 H new ATOM 0 HG3 GLU A 92 0.159 -24.637 24.410 1.00 50.00 H new ATOM 1328 N VAL A 93 -4.282 -25.150 23.480 1.00 10.00 N ATOM 1329 CA VAL A 93 -5.374 -24.258 22.996 1.00 10.00 C ATOM 1330 C VAL A 93 -6.206 -23.759 24.180 1.00 10.00 C ATOM 1331 O VAL A 93 -6.697 -22.648 24.183 1.00 10.00 O ATOM 1332 CB VAL A 93 -6.219 -25.138 22.075 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -7.313 -24.289 21.422 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -5.328 -25.743 20.988 1.00 10.00 C ATOM 0 H VAL A 93 -4.451 -26.148 23.358 1.00 10.00 H new ATOM 0 HA VAL A 93 -4.995 -23.376 22.480 1.00 10.00 H new ATOM 0 HB VAL A 93 -6.677 -25.938 22.657 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -7.916 -24.916 20.765 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -7.948 -23.857 22.195 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -6.854 -23.489 20.840 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -5.930 -26.371 20.331 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -4.870 -24.943 20.406 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -4.548 -26.347 21.451 1.00 10.00 H new ATOM 1344 N GLU A 94 -6.363 -24.572 25.188 1.00 12.50 N ATOM 1345 CA GLU A 94 -7.160 -24.146 26.373 1.00 12.50 C ATOM 1346 C GLU A 94 -6.247 -23.485 27.410 1.00 12.50 C ATOM 1347 O GLU A 94 -6.645 -22.574 28.109 1.00 12.50 O ATOM 1348 CB GLU A 94 -7.758 -25.436 26.934 1.00 12.50 C ATOM 1349 CG GLU A 94 -9.066 -25.119 27.662 1.00 12.50 C ATOM 1350 CD GLU A 94 -10.241 -25.280 26.694 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -10.633 -26.409 26.453 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -10.727 -24.271 26.212 1.00 12.50 O ATOM 0 H GLU A 94 -5.974 -25.513 25.242 1.00 12.50 H new ATOM 0 HA GLU A 94 -7.930 -23.419 26.114 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -7.942 -26.145 26.127 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -7.054 -25.908 27.619 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -9.190 -25.785 28.516 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -9.040 -24.102 28.053 1.00 12.50 H new ATOM 1359 N GLU A 95 -5.027 -23.936 27.515 1.00 12.50 N ATOM 1360 CA GLU A 95 -4.093 -23.333 28.511 1.00 12.50 C ATOM 1361 C GLU A 95 -3.170 -22.315 27.832 1.00 12.50 C ATOM 1362 O GLU A 95 -2.627 -21.437 28.471 1.00 12.50 O ATOM 1363 CB GLU A 95 -3.286 -24.509 29.062 1.00 25.00 C ATOM 1364 CG GLU A 95 -2.259 -23.993 30.073 1.00 25.00 C ATOM 1365 CD GLU A 95 -2.075 -25.026 31.187 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -1.412 -26.021 30.941 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -2.598 -24.804 32.266 1.00 50.00 O ATOM 0 H GLU A 95 -4.636 -24.694 26.956 1.00 12.50 H new ATOM 0 HA GLU A 95 -4.623 -22.798 29.299 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -3.951 -25.229 29.538 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -2.781 -25.031 28.249 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -1.307 -23.805 29.576 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -2.592 -23.044 30.494 1.00 25.00 H new ATOM 1374 N LYS A 96 -2.987 -22.426 26.543 1.00 25.00 N ATOM 1375 CA LYS A 96 -2.097 -21.460 25.834 1.00 25.00 C ATOM 1376 C LYS A 96 -2.892 -20.684 24.778 1.00 25.00 C ATOM 1377 O LYS A 96 -2.441 -19.681 24.262 1.00 25.00 O ATOM 1378 CB LYS A 96 -1.018 -22.320 25.177 1.00 25.00 C ATOM 1379 CG LYS A 96 0.351 -21.674 25.403 1.00 25.00 C ATOM 1380 CD LYS A 96 1.083 -22.407 26.529 1.00 25.00 C ATOM 1381 CE LYS A 96 2.593 -22.324 26.297 1.00 25.00 C ATOM 1382 NZ LYS A 96 3.194 -23.113 27.409 1.00 25.00 N ATOM 0 H LYS A 96 -3.413 -23.140 25.952 1.00 25.00 H new ATOM 0 HA LYS A 96 -1.668 -20.721 26.510 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -1.032 -23.326 25.597 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -1.215 -22.418 24.109 1.00 25.00 H new ATOM 0 HG2 LYS A 96 0.939 -21.714 24.486 1.00 25.00 H new ATOM 0 HG3 LYS A 96 0.230 -20.621 25.659 1.00 25.00 H new ATOM 0 HD2 LYS A 96 0.828 -21.964 27.492 1.00 25.00 H new ATOM 0 HD3 LYS A 96 0.767 -23.450 26.564 1.00 25.00 H new ATOM 0 HE2 LYS A 96 2.867 -22.737 25.326 1.00 25.00 H new ATOM 0 HE3 LYS A 96 2.939 -21.291 26.313 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 4.230 -23.104 27.320 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 2.921 -22.693 28.320 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 2.851 -24.094 27.364 1.00 25.00 H new ATOM 1396 N ASP A 97 -4.075 -21.137 24.460 1.00 10.00 N ATOM 1397 CA ASP A 97 -4.905 -20.421 23.446 1.00 10.00 C ATOM 1398 C ASP A 97 -4.171 -20.328 22.107 1.00 10.00 C ATOM 1399 O ASP A 97 -4.430 -19.448 21.311 1.00 10.00 O ATOM 1400 CB ASP A 97 -5.118 -19.025 24.029 1.00 50.00 C ATOM 1401 CG ASP A 97 -6.418 -19.006 24.835 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -7.172 -19.960 24.729 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -6.639 -18.038 25.544 1.00 50.00 O ATOM 0 H ASP A 97 -4.504 -21.972 24.858 1.00 10.00 H new ATOM 0 HA ASP A 97 -5.844 -20.940 23.252 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -4.277 -18.753 24.667 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -5.162 -18.287 23.228 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.260 -21.224 21.846 1.00 10.00 N ATOM 1409 CA VAL A 98 -2.522 -21.166 20.552 1.00 10.00 C ATOM 1410 C VAL A 98 -3.185 -22.083 19.519 1.00 10.00 C ATOM 1411 O VAL A 98 -3.699 -23.134 19.845 1.00 10.00 O ATOM 1412 CB VAL A 98 -1.109 -21.655 20.878 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -1.147 -23.152 21.190 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -0.194 -21.407 19.676 1.00 50.00 C ATOM 0 H VAL A 98 -2.996 -21.989 22.467 1.00 10.00 H new ATOM 0 HA VAL A 98 -2.517 -20.163 20.126 1.00 10.00 H new ATOM 0 HB VAL A 98 -0.727 -21.113 21.743 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -0.141 -23.501 21.422 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -1.799 -23.329 22.045 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -1.528 -23.694 20.325 1.00 50.00 H new ATOM 0 HG21 VAL A 98 0.813 -21.755 19.907 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -0.575 -21.949 18.811 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -0.167 -20.340 19.453 1.00 50.00 H new ATOM 1424 N ARG A 99 -3.175 -21.690 18.274 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.804 -22.535 17.218 1.00 10.00 C ATOM 1426 C ARG A 99 -3.095 -22.320 15.878 1.00 10.00 C ATOM 1427 O ARG A 99 -2.000 -21.797 15.820 1.00 10.00 O ATOM 1428 CB ARG A 99 -5.254 -22.057 17.140 1.00 50.00 C ATOM 1429 CG ARG A 99 -6.176 -23.260 16.927 1.00 50.00 C ATOM 1430 CD ARG A 99 -6.473 -23.919 18.275 1.00 50.00 C ATOM 1431 NE ARG A 99 -7.563 -24.896 17.991 1.00 50.00 N ATOM 1432 CZ ARG A 99 -7.443 -26.135 18.377 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -8.280 -26.632 19.246 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -6.485 -26.880 17.895 1.00 50.00 N ATOM 0 H ARG A 99 -2.758 -20.820 17.942 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.737 -23.599 17.446 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -5.526 -21.535 18.057 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -5.371 -21.346 16.322 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -7.105 -22.941 16.454 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -5.706 -23.978 16.255 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -5.590 -24.417 18.675 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -6.785 -23.182 19.015 1.00 50.00 H new ATOM 0 HE ARG A 99 -8.402 -24.595 17.495 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -9.028 -26.051 19.623 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -8.186 -27.602 19.548 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -5.830 -26.492 17.216 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -6.392 -27.850 18.198 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.711 -22.720 14.798 1.00 10.00 N ATOM 1449 CA LEU A 100 -3.073 -22.537 13.462 1.00 10.00 C ATOM 1450 C LEU A 100 -3.825 -21.471 12.659 1.00 10.00 C ATOM 1451 O LEU A 100 -4.966 -21.654 12.285 1.00 10.00 O ATOM 1452 CB LEU A 100 -3.183 -23.901 12.780 1.00 10.00 C ATOM 1453 CG LEU A 100 -2.547 -24.971 13.671 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -3.293 -26.294 13.491 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -1.080 -25.154 13.276 1.00 10.00 C ATOM 0 H LEU A 100 -4.628 -23.166 14.783 1.00 10.00 H new ATOM 0 HA LEU A 100 -2.038 -22.204 13.540 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -4.229 -24.143 12.594 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -2.684 -23.876 11.811 1.00 10.00 H new ATOM 0 HG LEU A 100 -2.607 -24.660 14.714 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -2.840 -27.056 14.125 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -4.338 -26.163 13.771 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -3.233 -26.607 12.449 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -0.625 -25.916 13.909 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -1.020 -25.466 12.233 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -0.548 -24.211 13.404 1.00 10.00 H new ATOM 1467 N THR A 101 -3.195 -20.360 12.391 1.00 10.00 N ATOM 1468 CA THR A 101 -3.876 -19.284 11.614 1.00 10.00 C ATOM 1469 C THR A 101 -3.816 -19.588 10.113 1.00 10.00 C ATOM 1470 O THR A 101 -4.621 -19.107 9.341 1.00 10.00 O ATOM 1471 CB THR A 101 -3.090 -18.011 11.935 1.00 10.00 C ATOM 1472 OG1 THR A 101 -1.782 -18.360 12.365 1.00 10.00 O ATOM 1473 CG2 THR A 101 -3.801 -17.235 13.044 1.00 10.00 C ATOM 0 H THR A 101 -2.238 -20.150 12.676 1.00 10.00 H new ATOM 0 HA THR A 101 -4.931 -19.192 11.874 1.00 10.00 H new ATOM 0 HB THR A 101 -3.027 -17.389 11.042 1.00 10.00 H new ATOM 0 HG1 THR A 101 -1.645 -18.046 13.283 1.00 10.00 H new ATOM 0 HG21 THR A 101 -3.240 -16.329 13.271 1.00 10.00 H new ATOM 0 HG22 THR A 101 -4.805 -16.967 12.715 1.00 10.00 H new ATOM 0 HG23 THR A 101 -3.866 -17.855 13.938 1.00 10.00 H new ATOM 1481 N CYS A 102 -2.867 -20.379 9.696 1.00 10.00 N ATOM 1482 CA CYS A 102 -2.757 -20.707 8.245 1.00 10.00 C ATOM 1483 C CYS A 102 -3.800 -21.755 7.852 1.00 10.00 C ATOM 1484 O CYS A 102 -4.330 -21.738 6.758 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.350 -21.274 8.074 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.129 -22.687 9.185 1.00 10.00 S ATOM 0 H CYS A 102 -2.164 -20.812 10.295 1.00 10.00 H new ATOM 0 HA CYS A 102 -2.930 -19.834 7.615 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.194 -21.583 7.040 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -0.608 -20.506 8.293 1.00 10.00 H new ATOM 0 HG CYS A 102 0.068 -23.171 9.038 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.099 -22.668 8.734 1.00 10.00 N ATOM 1492 CA ILE A 103 -5.104 -23.718 8.408 1.00 10.00 C ATOM 1493 C ILE A 103 -6.103 -23.868 9.557 1.00 10.00 C ATOM 1494 O ILE A 103 -6.643 -24.931 9.788 1.00 10.00 O ATOM 1495 CB ILE A 103 -4.294 -25.002 8.229 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -3.654 -25.393 9.563 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -3.198 -24.773 7.186 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -4.042 -26.833 9.906 1.00 50.00 C ATOM 0 H ILE A 103 -3.691 -22.732 9.667 1.00 10.00 H new ATOM 0 HA ILE A 103 -5.681 -23.474 7.516 1.00 10.00 H new ATOM 0 HB ILE A 103 -4.953 -25.803 7.894 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.570 -25.301 9.500 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -3.986 -24.717 10.351 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -2.620 -25.688 7.058 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -3.653 -24.495 6.235 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -2.539 -23.972 7.521 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -3.588 -27.116 10.856 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -5.126 -26.909 9.985 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -3.688 -27.502 9.121 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.354 -22.810 10.276 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.321 -22.891 11.405 1.00 10.00 C ATOM 1512 C GLY A 104 -8.482 -21.932 11.144 1.00 10.00 C ATOM 1513 O GLY A 104 -8.301 -20.853 10.616 1.00 10.00 O ATOM 0 H GLY A 104 -5.931 -21.893 10.131 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -7.692 -23.911 11.509 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -6.826 -22.635 12.342 1.00 10.00 H new ATOM 1517 N SER A 105 -9.674 -22.318 11.505 1.00 10.00 N ATOM 1518 CA SER A 105 -10.845 -21.426 11.271 1.00 10.00 C ATOM 1519 C SER A 105 -11.691 -21.318 12.542 1.00 10.00 C ATOM 1520 O SER A 105 -11.690 -22.210 13.366 1.00 10.00 O ATOM 1521 CB SER A 105 -11.637 -22.104 10.153 1.00 10.00 C ATOM 1522 OG SER A 105 -10.785 -22.326 9.039 1.00 10.00 O ATOM 0 H SER A 105 -9.888 -23.210 11.951 1.00 10.00 H new ATOM 0 HA SER A 105 -10.547 -20.412 11.004 1.00 10.00 H new ATOM 0 HB2 SER A 105 -12.047 -23.050 10.505 1.00 10.00 H new ATOM 0 HB3 SER A 105 -12.481 -21.480 9.860 1.00 10.00 H new ATOM 0 HG SER A 105 -11.291 -22.762 8.322 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.385 -20.219 12.657 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.247 -19.982 13.840 1.00 10.00 C ATOM 1530 C PRO A 106 -14.505 -20.851 13.771 1.00 10.00 C ATOM 1531 O PRO A 106 -15.118 -20.992 12.730 1.00 10.00 O ATOM 1532 CB PRO A 106 -13.603 -18.503 13.732 1.00 10.00 C ATOM 1533 CG PRO A 106 -13.475 -18.178 12.277 1.00 10.00 C ATOM 1534 CD PRO A 106 -12.433 -19.104 11.703 1.00 10.00 C ATOM 0 HA PRO A 106 -12.758 -20.232 14.782 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -14.615 -18.314 14.091 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -12.931 -17.891 14.334 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -14.430 -18.310 11.768 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -13.182 -17.137 12.140 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -12.708 -19.444 10.705 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -11.465 -18.611 11.616 1.00 10.00 H new ATOM 1542 N ALA A 107 -14.896 -21.433 14.871 1.00 10.00 N ATOM 1543 CA ALA A 107 -16.116 -22.291 14.867 1.00 10.00 C ATOM 1544 C ALA A 107 -17.241 -21.613 15.656 1.00 10.00 C ATOM 1545 O ALA A 107 -18.393 -21.988 15.559 1.00 10.00 O ATOM 1546 CB ALA A 107 -15.688 -23.590 15.551 1.00 50.00 C ATOM 0 H ALA A 107 -14.425 -21.352 15.772 1.00 10.00 H new ATOM 0 HA ALA A 107 -16.495 -22.467 13.860 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -16.533 -24.277 15.588 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -14.874 -24.046 14.988 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -15.352 -23.374 16.565 1.00 50.00 H new ATOM 1552 N ALA A 108 -16.915 -20.618 16.435 1.00 10.00 N ATOM 1553 CA ALA A 108 -17.965 -19.916 17.228 1.00 10.00 C ATOM 1554 C ALA A 108 -18.249 -18.538 16.624 1.00 10.00 C ATOM 1555 O ALA A 108 -17.585 -18.105 15.704 1.00 10.00 O ATOM 1556 CB ALA A 108 -17.373 -19.775 18.631 1.00 50.00 C ATOM 0 H ALA A 108 -15.967 -20.261 16.557 1.00 10.00 H new ATOM 0 HA ALA A 108 -18.910 -20.460 17.237 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -18.088 -19.266 19.278 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -17.157 -20.764 19.036 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -16.452 -19.194 18.581 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.229 -17.845 17.137 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.552 -16.495 16.592 1.00 50.00 C ATOM 1564 C ASP A 109 -18.442 -15.503 16.957 1.00 50.00 C ATOM 1565 O ASP A 109 -17.637 -15.126 16.128 1.00 50.00 O ATOM 1566 CB ASP A 109 -20.869 -16.101 17.260 1.00 50.00 C ATOM 1567 CG ASP A 109 -22.032 -16.763 16.517 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -21.966 -16.838 15.300 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -22.968 -17.184 17.176 1.00 50.00 O ATOM 0 H ASP A 109 -19.819 -18.155 17.909 1.00 50.00 H new ATOM 0 HA ASP A 109 -19.635 -16.495 15.505 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -20.867 -16.411 18.305 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -20.985 -15.017 17.249 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.392 -15.080 18.191 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.332 -14.116 18.607 1.00 10.00 C ATOM 1576 C GLU A 110 -16.080 -14.873 19.056 1.00 10.00 C ATOM 1577 O GLU A 110 -16.123 -15.679 19.965 1.00 10.00 O ATOM 1578 CB GLU A 110 -17.937 -13.341 19.778 1.00 10.00 C ATOM 1579 CG GLU A 110 -17.600 -11.856 19.638 1.00 10.00 C ATOM 1580 CD GLU A 110 -17.388 -11.248 21.025 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -16.535 -11.742 21.743 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -18.083 -10.296 21.346 1.00 50.00 O ATOM 0 H GLU A 110 -19.038 -15.360 18.929 1.00 10.00 H new ATOM 0 HA GLU A 110 -17.032 -13.455 17.794 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -19.018 -13.479 19.799 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -17.549 -13.725 20.721 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -16.702 -11.732 19.034 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -18.407 -11.336 19.121 1.00 10.00 H new ATOM 1589 N VAL A 111 -14.964 -14.624 18.427 1.00 10.00 N ATOM 1590 CA VAL A 111 -13.715 -15.336 18.824 1.00 10.00 C ATOM 1591 C VAL A 111 -12.531 -14.365 18.850 1.00 10.00 C ATOM 1592 O VAL A 111 -11.985 -14.009 17.825 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.504 -16.407 17.749 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.520 -17.459 18.264 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -14.840 -17.079 17.422 1.00 12.50 C ATOM 0 H VAL A 111 -14.862 -13.961 17.658 1.00 10.00 H new ATOM 0 HA VAL A 111 -13.792 -15.769 19.822 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.103 -15.940 16.849 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -12.369 -18.221 17.500 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.567 -16.983 18.495 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -12.922 -17.923 19.165 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.687 -17.840 16.657 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -15.243 -17.544 18.322 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.543 -16.331 17.054 1.00 12.50 H new ATOM 1605 N LYS A 112 -12.123 -13.941 20.016 1.00 10.00 N ATOM 1606 CA LYS A 112 -10.967 -13.002 20.103 1.00 10.00 C ATOM 1607 C LYS A 112 -9.658 -13.794 20.054 1.00 10.00 C ATOM 1608 O LYS A 112 -9.579 -14.908 20.531 1.00 10.00 O ATOM 1609 CB LYS A 112 -11.121 -12.297 21.451 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.521 -11.686 21.551 1.00 25.00 C ATOM 1611 CD LYS A 112 -12.426 -10.284 22.153 1.00 25.00 C ATOM 1612 CE LYS A 112 -12.210 -10.393 23.665 1.00 25.00 C ATOM 1613 NZ LYS A 112 -12.903 -9.206 24.246 1.00 25.00 N ATOM 0 H LYS A 112 -12.539 -14.203 20.910 1.00 10.00 H new ATOM 0 HA LYS A 112 -10.946 -12.288 19.279 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -10.963 -13.006 22.264 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.365 -11.519 21.555 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -12.980 -11.638 20.563 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -13.161 -12.316 22.169 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -11.603 -9.735 21.696 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -13.338 -9.724 21.944 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -12.625 -11.322 24.056 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -11.148 -10.389 23.912 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -12.543 -9.029 25.205 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -12.724 -8.373 23.650 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -13.926 -9.388 24.289 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.632 -13.234 19.476 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.332 -13.963 19.396 1.00 10.00 C ATOM 1629 C ILE A 113 -6.178 -12.992 19.147 1.00 10.00 C ATOM 1630 O ILE A 113 -6.329 -11.987 18.480 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.489 -14.918 18.214 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -6.248 -15.809 18.109 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -7.645 -14.106 16.926 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.247 -16.527 16.759 1.00 10.00 C ATOM 0 H ILE A 113 -8.636 -12.305 19.056 1.00 10.00 H new ATOM 0 HA ILE A 113 -7.102 -14.487 20.324 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.371 -15.542 18.362 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.345 -15.207 18.213 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -6.241 -16.537 18.920 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -7.757 -14.784 16.080 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -8.527 -13.470 17.001 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -6.762 -13.485 16.778 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.363 -17.161 16.685 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -7.143 -17.142 16.673 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -6.234 -15.791 15.955 1.00 10.00 H new ATOM 1646 N VAL A 114 -5.021 -13.292 19.667 1.00 10.00 N ATOM 1647 CA VAL A 114 -3.855 -12.395 19.450 1.00 10.00 C ATOM 1648 C VAL A 114 -3.109 -12.834 18.185 1.00 10.00 C ATOM 1649 O VAL A 114 -2.761 -13.989 18.029 1.00 10.00 O ATOM 1650 CB VAL A 114 -3.003 -12.554 20.725 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -1.541 -12.872 20.382 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -3.057 -11.254 21.528 1.00 50.00 C ATOM 0 H VAL A 114 -4.833 -14.120 20.233 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.124 -11.350 19.295 1.00 10.00 H new ATOM 0 HB VAL A 114 -3.407 -13.382 21.308 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -0.966 -12.978 21.302 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.494 -13.802 19.816 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -1.123 -12.062 19.785 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -2.456 -11.359 22.432 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -2.663 -10.437 20.924 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.090 -11.038 21.802 1.00 50.00 H new ATOM 1662 N TYR A 115 -2.871 -11.926 17.276 1.00 10.00 N ATOM 1663 CA TYR A 115 -2.160 -12.300 16.021 1.00 10.00 C ATOM 1664 C TYR A 115 -0.649 -12.078 16.176 1.00 10.00 C ATOM 1665 O TYR A 115 -0.210 -11.168 16.857 1.00 10.00 O ATOM 1666 CB TYR A 115 -2.781 -11.399 14.933 1.00 50.00 C ATOM 1667 CG TYR A 115 -1.872 -10.242 14.582 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -1.884 -9.077 15.357 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.023 -10.335 13.473 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -1.046 -8.006 15.026 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.185 -9.264 13.141 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.197 -8.100 13.917 1.00 50.00 C ATOM 1673 OH TYR A 115 0.629 -7.044 13.590 1.00 50.00 O ATOM 0 H TYR A 115 -3.138 -10.944 17.349 1.00 10.00 H new ATOM 0 HA TYR A 115 -2.273 -13.353 15.765 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -2.979 -11.991 14.039 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.740 -11.016 15.281 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -2.541 -9.004 16.211 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.014 -11.233 12.873 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -1.054 -7.108 15.626 1.00 50.00 H new ATOM 0 HE2 TYR A 115 0.471 -9.336 12.286 1.00 50.00 H new ATOM 0 HH TYR A 115 1.154 -7.273 12.795 1.00 50.00 H new ATOM 1683 N ASN A 116 0.143 -12.917 15.554 1.00 10.00 N ATOM 1684 CA ASN A 116 1.628 -12.787 15.653 1.00 10.00 C ATOM 1685 C ASN A 116 2.113 -13.273 17.020 1.00 10.00 C ATOM 1686 O ASN A 116 2.724 -12.537 17.769 1.00 10.00 O ATOM 1687 CB ASN A 116 1.930 -11.297 15.469 1.00 10.00 C ATOM 1688 CG ASN A 116 3.148 -11.132 14.556 1.00 10.00 C ATOM 1689 OD1 ASN A 116 3.208 -10.212 13.765 1.00 10.00 O ATOM 1690 ND2 ASN A 116 4.126 -11.993 14.632 1.00 10.00 N ATOM 0 H ASN A 116 -0.180 -13.693 14.977 1.00 10.00 H new ATOM 0 HA ASN A 116 2.138 -13.391 14.902 1.00 10.00 H new ATOM 0 HB2 ASN A 116 1.067 -10.791 15.037 1.00 10.00 H new ATOM 0 HB3 ASN A 116 2.121 -10.832 16.436 1.00 10.00 H new ATOM 0 HD21 ASN A 116 4.941 -11.894 14.027 1.00 10.00 H new ATOM 0 HD22 ASN A 116 4.075 -12.765 15.296 1.00 10.00 H new ATOM 1697 N ALA A 117 1.846 -14.509 17.352 1.00 10.00 N ATOM 1698 CA ALA A 117 2.300 -15.035 18.674 1.00 10.00 C ATOM 1699 C ALA A 117 3.779 -15.424 18.609 1.00 10.00 C ATOM 1700 O ALA A 117 4.461 -15.472 19.612 1.00 10.00 O ATOM 1701 CB ALA A 117 1.433 -16.268 18.935 1.00 50.00 C ATOM 0 H ALA A 117 1.337 -15.173 16.769 1.00 10.00 H new ATOM 0 HA ALA A 117 2.200 -14.294 19.467 1.00 10.00 H new ATOM 0 HB1 ALA A 117 1.709 -16.711 19.892 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.383 -15.976 18.960 1.00 50.00 H new ATOM 0 HB3 ALA A 117 1.588 -16.997 18.140 1.00 50.00 H new ATOM 1732 N HIS A 119 6.095 -13.871 18.255 1.00 50.00 N ATOM 1733 CA HIS A 119 6.883 -12.845 18.995 1.00 50.00 C ATOM 1734 C HIS A 119 7.171 -13.341 20.413 1.00 50.00 C ATOM 1735 O HIS A 119 8.167 -12.992 21.016 1.00 50.00 O ATOM 1736 CB HIS A 119 5.985 -11.608 19.034 1.00 50.00 C ATOM 1737 CG HIS A 119 6.019 -10.919 17.698 1.00 50.00 C ATOM 1738 ND1 HIS A 119 7.189 -10.414 17.156 1.00 50.00 N ATOM 1739 CD2 HIS A 119 5.032 -10.641 16.784 1.00 50.00 C ATOM 1740 CE1 HIS A 119 6.882 -9.863 15.967 1.00 50.00 C ATOM 1741 NE2 HIS A 119 5.580 -9.973 15.692 1.00 50.00 N ATOM 0 HA HIS A 119 7.843 -12.634 18.523 1.00 50.00 H new ATOM 0 HB2 HIS A 119 4.963 -11.896 19.280 1.00 50.00 H new ATOM 0 HB3 HIS A 119 6.321 -10.926 19.815 1.00 50.00 H new ATOM 0 HD1 HIS A 119 8.116 -10.453 17.581 1.00 50.00 H new ATOM 0 HD2 HIS A 119 3.990 -10.901 16.895 1.00 50.00 H new ATOM 0 HE1 HIS A 119 7.601 -9.390 15.315 1.00 50.00 H new ATOM 1749 N LEU A 120 6.301 -14.155 20.946 1.00 12.50 N ATOM 1750 CA LEU A 120 6.509 -14.685 22.323 1.00 12.50 C ATOM 1751 C LEU A 120 7.980 -15.049 22.539 1.00 12.50 C ATOM 1752 O LEU A 120 8.569 -15.777 21.765 1.00 12.50 O ATOM 1753 CB LEU A 120 5.636 -15.938 22.395 1.00 12.50 C ATOM 1754 CG LEU A 120 4.381 -15.643 23.215 1.00 12.50 C ATOM 1755 CD1 LEU A 120 3.292 -15.082 22.297 1.00 12.50 C ATOM 1756 CD2 LEU A 120 3.883 -16.936 23.865 1.00 12.50 C ATOM 0 H LEU A 120 5.451 -14.477 20.484 1.00 12.50 H new ATOM 0 HA LEU A 120 6.248 -13.955 23.089 1.00 12.50 H new ATOM 0 HB2 LEU A 120 5.359 -16.259 21.391 1.00 12.50 H new ATOM 0 HB3 LEU A 120 6.195 -16.757 22.848 1.00 12.50 H new ATOM 0 HG LEU A 120 4.615 -14.912 23.989 1.00 12.50 H new ATOM 0 HD11 LEU A 120 2.396 -14.871 22.881 1.00 12.50 H new ATOM 0 HD12 LEU A 120 3.646 -14.162 21.832 1.00 12.50 H new ATOM 0 HD13 LEU A 120 3.057 -15.813 21.523 1.00 12.50 H new ATOM 0 HD21 LEU A 120 2.988 -16.727 24.451 1.00 12.50 H new ATOM 0 HD22 LEU A 120 3.648 -17.666 23.090 1.00 12.50 H new ATOM 0 HD23 LEU A 120 4.658 -17.337 24.518 1.00 12.50 H new