USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 822 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 103 HIS : no HD1:sc= -1.55 X(o=-1.6,f=-1.2) USER MOD Set 1.2: A 105 HIS : no HD1:sc=-0.000973 K(o=-1.6,f=-2.3) USER MOD Set 2.1: A 54 SER OG : rot -170:sc= 0.121 USER MOD Set 2.2: A 83 SER OG : rot -35:sc= 0.167 USER MOD Set 3.1: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 41 GLN : amide:sc= 0 X(o=0,f=-0.0063) USER MOD Set 4.1: A 30 TYR OH : rot -90:sc= 1.14 USER MOD Set 4.2: A 32 SER OG : rot -61:sc=-0.00739 USER MOD Set 5.1: A 23 THR OG1 : rot 180:sc= -0.0217 USER MOD Set 5.2: A 63 SER OG : rot 180:sc= -0.651 USER MOD Set 6.1: A 10 SER OG : rot 180:sc= -0.036 USER MOD Set 6.2: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -116:sc= 0.131 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 29:sc= -1.46 USER MOD Single : A 15 TYR OH : rot 180:sc= 0.316 USER MOD Single : A 17 SER OG : rot 109:sc= 1.32 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -0.0324 K(o=-0.032,f=-0.78) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -14:sc= 0.0963 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 100:sc= -0.0943 USER MOD Single : A 55 SER OG : rot -127:sc= 0.866 USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= -0.0192 (180deg=-0.342) USER MOD Single : A 59 GLN : amide:sc= -0.019 K(o=-0.019,f=-1.8!) USER MOD Single : A 61 GLN : amide:sc= -0.137 K(o=-0.14,f=-1) USER MOD Single : A 70 ASN : amide:sc= -1.18 K(o=-1.2,f=-5.3!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 77 ASN : amide:sc= -0.0582 K(o=-0.058,f=-2.2!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 40:sc= 1.18 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -79:sc= -1.08 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.0225 K(o=-0.022,f=-1.6!) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.0048 F(o=-0.52,f=-0.0048) USER MOD Single : A 101 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-2.5!) USER MOD Single : A 102 HIS : no HD1:sc=-0.00199 X(o=-0.002,f=-0.002) USER MOD Single : A 104 HIS : no HE2:sc= -0.233 K(o=-0.23,f=-1.9) USER MOD Single : A 106 HIS : no HE2:sc= -0.125 K(o=-0.13,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.742 -0.231 -2.768 1.00 0.00 N ATOM 2 CA SER A 1 -12.308 -0.512 -2.472 1.00 0.00 C ATOM 3 C SER A 1 -12.089 -2.023 -2.385 1.00 0.00 C ATOM 4 O SER A 1 -13.023 -2.798 -2.449 1.00 0.00 O ATOM 5 CB SER A 1 -11.925 0.132 -1.140 1.00 0.00 C ATOM 6 OG SER A 1 -12.559 -0.571 -0.079 1.00 0.00 O ATOM 0 H1 SER A 1 -13.821 0.232 -3.696 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.275 -1.124 -2.780 1.00 0.00 H new ATOM 0 H3 SER A 1 -14.132 0.395 -2.035 1.00 0.00 H new ATOM 0 HA SER A 1 -11.688 -0.099 -3.268 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.843 0.111 -1.010 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.227 1.179 -1.129 1.00 0.00 H new ATOM 0 HG SER A 1 -12.314 -0.162 0.777 1.00 0.00 H new ATOM 14 N ASP A 2 -10.863 -2.445 -2.231 1.00 0.00 N ATOM 15 CA ASP A 2 -10.578 -3.906 -2.134 1.00 0.00 C ATOM 16 C ASP A 2 -9.097 -4.117 -1.821 1.00 0.00 C ATOM 17 O ASP A 2 -8.267 -3.262 -2.066 1.00 0.00 O ATOM 18 CB ASP A 2 -10.920 -4.597 -3.456 1.00 0.00 C ATOM 19 CG ASP A 2 -10.103 -3.975 -4.590 1.00 0.00 C ATOM 20 OD1 ASP A 2 -9.176 -3.239 -4.294 1.00 0.00 O ATOM 21 OD2 ASP A 2 -10.421 -4.245 -5.737 1.00 0.00 O ATOM 0 H ASP A 2 -10.044 -1.840 -2.168 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.187 -4.334 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.708 -5.664 -3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.985 -4.497 -3.665 1.00 0.00 H new ATOM 26 N LEU A 3 -8.765 -5.247 -1.266 1.00 0.00 N ATOM 27 CA LEU A 3 -7.347 -5.526 -0.913 1.00 0.00 C ATOM 28 C LEU A 3 -6.599 -6.055 -2.135 1.00 0.00 C ATOM 29 O LEU A 3 -7.043 -6.967 -2.804 1.00 0.00 O ATOM 30 CB LEU A 3 -7.319 -6.571 0.209 1.00 0.00 C ATOM 31 CG LEU A 3 -7.612 -5.896 1.558 1.00 0.00 C ATOM 32 CD1 LEU A 3 -6.441 -4.979 1.973 1.00 0.00 C ATOM 33 CD2 LEU A 3 -8.906 -5.075 1.444 1.00 0.00 C ATOM 0 H LEU A 3 -9.420 -5.995 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.861 -4.609 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.058 -7.348 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.344 -7.058 0.240 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.731 -6.665 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.668 -4.510 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.530 -5.571 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.297 -4.208 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.117 -4.594 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.787 -4.314 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.733 -5.734 1.179 1.00 0.00 H new ATOM 45 N VAL A 4 -5.456 -5.485 -2.423 1.00 0.00 N ATOM 46 CA VAL A 4 -4.654 -5.940 -3.596 1.00 0.00 C ATOM 47 C VAL A 4 -3.175 -5.990 -3.216 1.00 0.00 C ATOM 48 O VAL A 4 -2.749 -5.402 -2.243 1.00 0.00 O ATOM 49 CB VAL A 4 -4.859 -4.972 -4.759 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.323 -5.021 -5.197 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.508 -3.549 -4.316 1.00 0.00 C ATOM 0 H VAL A 4 -5.043 -4.719 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.980 -6.936 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.214 -5.258 -5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.478 -4.332 -6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.574 -6.033 -5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.962 -4.733 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.656 -2.862 -5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.152 -3.257 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.466 -3.514 -3.997 1.00 0.00 H new ATOM 61 N LYS A 5 -2.396 -6.700 -3.980 1.00 0.00 N ATOM 62 CA LYS A 5 -0.941 -6.819 -3.681 1.00 0.00 C ATOM 63 C LYS A 5 -0.180 -5.652 -4.321 1.00 0.00 C ATOM 64 O LYS A 5 -0.683 -4.964 -5.188 1.00 0.00 O ATOM 65 CB LYS A 5 -0.427 -8.153 -4.240 1.00 0.00 C ATOM 66 CG LYS A 5 -0.711 -9.284 -3.243 1.00 0.00 C ATOM 67 CD LYS A 5 -2.222 -9.452 -3.066 1.00 0.00 C ATOM 68 CE LYS A 5 -2.504 -10.701 -2.230 1.00 0.00 C ATOM 69 NZ LYS A 5 -3.972 -10.839 -2.024 1.00 0.00 N ATOM 0 H LYS A 5 -2.707 -7.209 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.782 -6.788 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.910 -8.368 -5.193 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.644 -8.087 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.272 -10.215 -3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.246 -9.060 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.641 -8.573 -2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.705 -9.537 -4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.112 -11.585 -2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.996 -10.630 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.164 -11.688 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.333 -10.000 -1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.445 -10.925 -2.946 1.00 0.00 H new ATOM 83 N ILE A 6 1.029 -5.428 -3.886 1.00 0.00 N ATOM 84 CA ILE A 6 1.840 -4.308 -4.442 1.00 0.00 C ATOM 85 C ILE A 6 2.096 -4.542 -5.936 1.00 0.00 C ATOM 86 O ILE A 6 1.989 -3.637 -6.740 1.00 0.00 O ATOM 87 CB ILE A 6 3.179 -4.245 -3.703 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.934 -4.198 -2.186 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.951 -2.999 -4.141 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.988 -3.044 -1.824 1.00 0.00 C ATOM 0 H ILE A 6 1.494 -5.977 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 6 1.299 -3.370 -4.313 1.00 0.00 H new ATOM 0 HB ILE A 6 3.764 -5.133 -3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.506 -5.143 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.882 -4.075 -1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.904 -2.957 -3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.133 -3.042 -5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.367 -2.109 -3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.828 -3.029 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.430 -2.099 -2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.033 -3.184 -2.330 1.00 0.00 H new ATOM 102 N ARG A 7 2.436 -5.744 -6.317 1.00 0.00 N ATOM 103 CA ARG A 7 2.703 -6.018 -7.761 1.00 0.00 C ATOM 104 C ARG A 7 1.403 -5.872 -8.556 1.00 0.00 C ATOM 105 O ARG A 7 1.415 -5.706 -9.759 1.00 0.00 O ATOM 106 CB ARG A 7 3.248 -7.441 -7.918 1.00 0.00 C ATOM 107 CG ARG A 7 3.607 -7.696 -9.385 1.00 0.00 C ATOM 108 CD ARG A 7 4.258 -9.075 -9.521 1.00 0.00 C ATOM 109 NE ARG A 7 5.582 -9.066 -8.836 1.00 0.00 N ATOM 110 CZ ARG A 7 6.250 -10.178 -8.676 1.00 0.00 C ATOM 111 NH1 ARG A 7 5.766 -11.306 -9.118 1.00 0.00 N ATOM 112 NH2 ARG A 7 7.407 -10.159 -8.072 1.00 0.00 N ATOM 0 H ARG A 7 2.540 -6.546 -5.695 1.00 0.00 H new ATOM 0 HA ARG A 7 3.438 -5.307 -8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.128 -7.575 -7.289 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.504 -8.165 -7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.711 -7.643 -10.004 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.288 -6.924 -9.743 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.615 -9.838 -9.083 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.382 -9.329 -10.574 1.00 0.00 H new ATOM 0 HE ARG A 7 5.969 -8.188 -8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.862 -11.323 -9.591 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.291 -12.171 -8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.787 -9.278 -7.726 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.931 -11.025 -7.946 1.00 0.00 H new ATOM 126 N ASP A 8 0.282 -5.930 -7.890 1.00 0.00 N ATOM 127 CA ASP A 8 -1.021 -5.792 -8.601 1.00 0.00 C ATOM 128 C ASP A 8 -1.355 -4.308 -8.776 1.00 0.00 C ATOM 129 O ASP A 8 -2.364 -3.954 -9.352 1.00 0.00 O ATOM 130 CB ASP A 8 -2.120 -6.466 -7.776 1.00 0.00 C ATOM 131 CG ASP A 8 -1.913 -7.981 -7.787 1.00 0.00 C ATOM 132 OD1 ASP A 8 -1.149 -8.448 -8.615 1.00 0.00 O ATOM 133 OD2 ASP A 8 -2.523 -8.649 -6.969 1.00 0.00 O ATOM 0 H ASP A 8 0.212 -6.067 -6.882 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.954 -6.266 -9.580 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.100 -6.093 -6.752 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.099 -6.220 -8.186 1.00 0.00 H new ATOM 138 N VAL A 9 -0.520 -3.437 -8.277 1.00 0.00 N ATOM 139 CA VAL A 9 -0.798 -1.977 -8.406 1.00 0.00 C ATOM 140 C VAL A 9 -0.676 -1.545 -9.868 1.00 0.00 C ATOM 141 O VAL A 9 0.285 -1.853 -10.545 1.00 0.00 O ATOM 142 CB VAL A 9 0.198 -1.193 -7.548 1.00 0.00 C ATOM 143 CG1 VAL A 9 0.051 0.307 -7.821 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.089 -1.467 -6.072 1.00 0.00 C ATOM 0 H VAL A 9 0.342 -3.673 -7.786 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.813 -1.773 -8.064 1.00 0.00 H new ATOM 0 HB VAL A 9 1.213 -1.506 -7.794 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.762 0.860 -7.208 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.249 0.506 -8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.963 0.624 -7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.617 -0.911 -5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.105 -1.152 -5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.016 -2.533 -5.873 1.00 0.00 H new ATOM 154 N SER A 10 -1.651 -0.825 -10.350 1.00 0.00 N ATOM 155 CA SER A 10 -1.614 -0.354 -11.762 1.00 0.00 C ATOM 156 C SER A 10 -2.629 0.778 -11.938 1.00 0.00 C ATOM 157 O SER A 10 -3.552 0.927 -11.159 1.00 0.00 O ATOM 158 CB SER A 10 -1.967 -1.508 -12.700 1.00 0.00 C ATOM 159 OG SER A 10 -1.952 -1.042 -14.042 1.00 0.00 O ATOM 0 H SER A 10 -2.477 -0.541 -9.823 1.00 0.00 H new ATOM 0 HA SER A 10 -0.614 0.007 -12.001 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.253 -2.323 -12.578 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.951 -1.906 -12.452 1.00 0.00 H new ATOM 0 HG SER A 10 -2.176 -1.780 -14.647 1.00 0.00 H new ATOM 165 N LEU A 11 -2.469 1.570 -12.961 1.00 0.00 N ATOM 166 CA LEU A 11 -3.421 2.692 -13.194 1.00 0.00 C ATOM 167 C LEU A 11 -4.792 2.111 -13.532 1.00 0.00 C ATOM 168 O LEU A 11 -5.762 2.825 -13.694 1.00 0.00 O ATOM 169 CB LEU A 11 -2.917 3.545 -14.360 1.00 0.00 C ATOM 170 CG LEU A 11 -1.429 3.856 -14.161 1.00 0.00 C ATOM 171 CD1 LEU A 11 -0.937 4.752 -15.298 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.223 4.569 -12.819 1.00 0.00 C ATOM 0 H LEU A 11 -1.719 1.489 -13.647 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.497 3.314 -12.302 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.066 3.017 -15.302 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.488 4.471 -14.420 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.864 2.924 -14.163 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.121 4.973 -15.156 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.076 4.241 -16.250 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.505 5.683 -15.300 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.164 4.788 -12.682 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.790 5.500 -12.811 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.568 3.927 -12.009 1.00 0.00 H new ATOM 184 N SER A 12 -4.874 0.814 -13.630 1.00 0.00 N ATOM 185 CA SER A 12 -6.173 0.163 -13.946 1.00 0.00 C ATOM 186 C SER A 12 -7.189 0.518 -12.866 1.00 0.00 C ATOM 187 O SER A 12 -8.363 0.678 -13.139 1.00 0.00 O ATOM 188 CB SER A 12 -5.990 -1.353 -13.975 1.00 0.00 C ATOM 189 OG SER A 12 -5.259 -1.716 -15.138 1.00 0.00 O ATOM 0 H SER A 12 -4.090 0.173 -13.504 1.00 0.00 H new ATOM 0 HA SER A 12 -6.525 0.510 -14.917 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.461 -1.684 -13.081 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.961 -1.848 -13.973 1.00 0.00 H new ATOM 0 HG SER A 12 -5.139 -2.688 -15.158 1.00 0.00 H new ATOM 195 N THR A 13 -6.746 0.628 -11.633 1.00 0.00 N ATOM 196 CA THR A 13 -7.685 0.959 -10.513 1.00 0.00 C ATOM 197 C THR A 13 -7.319 2.331 -9.917 1.00 0.00 C ATOM 198 O THR A 13 -6.162 2.599 -9.658 1.00 0.00 O ATOM 199 CB THR A 13 -7.565 -0.114 -9.430 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.250 -0.103 -8.890 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.860 -1.480 -10.046 1.00 0.00 C ATOM 0 H THR A 13 -5.773 0.502 -11.355 1.00 0.00 H new ATOM 0 HA THR A 13 -8.707 0.993 -10.890 1.00 0.00 H new ATOM 0 HB THR A 13 -8.278 0.088 -8.631 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.878 0.801 -8.953 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.776 -2.250 -9.280 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.870 -1.484 -10.456 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.144 -1.682 -10.843 1.00 0.00 H new ATOM 209 N PRO A 14 -8.286 3.200 -9.693 1.00 0.00 N ATOM 210 CA PRO A 14 -8.021 4.552 -9.117 1.00 0.00 C ATOM 211 C PRO A 14 -7.714 4.481 -7.619 1.00 0.00 C ATOM 212 O PRO A 14 -6.710 4.993 -7.154 1.00 0.00 O ATOM 213 CB PRO A 14 -9.330 5.316 -9.366 1.00 0.00 C ATOM 214 CG PRO A 14 -10.392 4.263 -9.406 1.00 0.00 C ATOM 215 CD PRO A 14 -9.726 3.000 -9.959 1.00 0.00 C ATOM 0 HA PRO A 14 -7.151 5.029 -9.569 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.521 6.040 -8.574 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.290 5.872 -10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.799 4.084 -8.411 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.223 4.573 -10.039 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.101 2.104 -9.465 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.921 2.882 -11.025 1.00 0.00 H new ATOM 223 N TYR A 15 -8.582 3.852 -6.862 1.00 0.00 N ATOM 224 CA TYR A 15 -8.374 3.739 -5.386 1.00 0.00 C ATOM 225 C TYR A 15 -8.284 2.269 -4.986 1.00 0.00 C ATOM 226 O TYR A 15 -9.111 1.460 -5.359 1.00 0.00 O ATOM 227 CB TYR A 15 -9.549 4.393 -4.663 1.00 0.00 C ATOM 228 CG TYR A 15 -9.520 5.879 -4.923 1.00 0.00 C ATOM 229 CD1 TYR A 15 -8.661 6.700 -4.185 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.348 6.434 -5.907 1.00 0.00 C ATOM 231 CE1 TYR A 15 -8.628 8.078 -4.430 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.315 7.812 -6.151 1.00 0.00 C ATOM 233 CZ TYR A 15 -9.456 8.634 -5.413 1.00 0.00 C ATOM 234 OH TYR A 15 -9.423 9.992 -5.654 1.00 0.00 O ATOM 0 H TYR A 15 -9.433 3.409 -7.209 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.446 4.241 -5.111 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.490 3.968 -5.013 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.489 4.197 -3.592 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.023 6.271 -3.426 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.011 5.800 -6.477 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.964 8.712 -3.861 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -10.953 8.241 -6.909 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.057 10.213 -6.367 1.00 0.00 H new ATOM 244 N VAL A 16 -7.282 1.920 -4.228 1.00 0.00 N ATOM 245 CA VAL A 16 -7.123 0.504 -3.790 1.00 0.00 C ATOM 246 C VAL A 16 -6.500 0.466 -2.395 1.00 0.00 C ATOM 247 O VAL A 16 -5.950 1.442 -1.922 1.00 0.00 O ATOM 248 CB VAL A 16 -6.222 -0.239 -4.775 1.00 0.00 C ATOM 249 CG1 VAL A 16 -6.916 -0.328 -6.138 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.897 0.513 -4.924 1.00 0.00 C ATOM 0 H VAL A 16 -6.562 2.559 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.101 0.023 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.028 -1.244 -4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.272 -0.858 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.858 -0.866 -6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.112 0.677 -6.513 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.255 -0.018 -5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.090 1.519 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.402 0.574 -3.955 1.00 0.00 H new ATOM 260 N SER A 17 -6.585 -0.658 -1.731 1.00 0.00 N ATOM 261 CA SER A 17 -6.003 -0.784 -0.357 1.00 0.00 C ATOM 262 C SER A 17 -4.782 -1.704 -0.402 1.00 0.00 C ATOM 263 O SER A 17 -4.789 -2.727 -1.059 1.00 0.00 O ATOM 264 CB SER A 17 -7.049 -1.382 0.579 1.00 0.00 C ATOM 265 OG SER A 17 -6.451 -1.636 1.843 1.00 0.00 O ATOM 0 H SER A 17 -7.036 -1.502 -2.083 1.00 0.00 H new ATOM 0 HA SER A 17 -5.704 0.200 0.004 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.889 -0.696 0.691 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.446 -2.306 0.158 1.00 0.00 H new ATOM 0 HG SER A 17 -6.796 -0.998 2.502 1.00 0.00 H new ATOM 271 N VAL A 18 -3.733 -1.346 0.298 1.00 0.00 N ATOM 272 CA VAL A 18 -2.497 -2.192 0.311 1.00 0.00 C ATOM 273 C VAL A 18 -1.997 -2.352 1.746 1.00 0.00 C ATOM 274 O VAL A 18 -2.334 -1.580 2.625 1.00 0.00 O ATOM 275 CB VAL A 18 -1.409 -1.520 -0.529 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.840 -1.499 -1.995 1.00 0.00 C ATOM 277 CG2 VAL A 18 -1.195 -0.082 -0.043 1.00 0.00 C ATOM 0 H VAL A 18 -3.679 -0.499 0.864 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.729 -3.172 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.479 -2.079 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.066 -1.021 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.991 -2.520 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.771 -0.941 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.419 0.393 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.125 0.478 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.888 -0.093 1.003 1.00 0.00 H new ATOM 287 N ILE A 19 -1.188 -3.348 1.989 1.00 0.00 N ATOM 288 CA ILE A 19 -0.649 -3.569 3.362 1.00 0.00 C ATOM 289 C ILE A 19 0.795 -4.055 3.273 1.00 0.00 C ATOM 290 O ILE A 19 1.130 -4.885 2.453 1.00 0.00 O ATOM 291 CB ILE A 19 -1.496 -4.613 4.090 1.00 0.00 C ATOM 292 CG1 ILE A 19 -0.962 -4.789 5.511 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.429 -5.948 3.346 1.00 0.00 C ATOM 294 CD1 ILE A 19 -1.944 -5.631 6.326 1.00 0.00 C ATOM 0 H ILE A 19 -0.875 -4.022 1.291 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.683 -2.630 3.915 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.533 -4.279 4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.014 -5.273 5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.824 -3.816 5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.035 -6.687 3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.810 -5.819 2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.395 -6.290 3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.562 -5.756 7.339 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.911 -5.129 6.362 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.060 -6.609 5.859 1.00 0.00 H new ATOM 306 N GLY A 20 1.653 -3.544 4.112 1.00 0.00 N ATOM 307 CA GLY A 20 3.075 -3.984 4.066 1.00 0.00 C ATOM 308 C GLY A 20 3.889 -3.222 5.113 1.00 0.00 C ATOM 309 O GLY A 20 3.347 -2.648 6.042 1.00 0.00 O ATOM 0 H GLY A 20 1.433 -2.846 4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.139 -5.056 4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.488 -3.808 3.073 1.00 0.00 H new ATOM 313 N LYS A 21 5.192 -3.216 4.966 1.00 0.00 N ATOM 314 CA LYS A 21 6.074 -2.501 5.940 1.00 0.00 C ATOM 315 C LYS A 21 6.687 -1.280 5.267 1.00 0.00 C ATOM 316 O LYS A 21 7.244 -1.365 4.194 1.00 0.00 O ATOM 317 CB LYS A 21 7.184 -3.445 6.407 1.00 0.00 C ATOM 318 CG LYS A 21 8.071 -2.729 7.427 1.00 0.00 C ATOM 319 CD LYS A 21 9.114 -3.706 7.969 1.00 0.00 C ATOM 320 CE LYS A 21 9.992 -2.995 9.000 1.00 0.00 C ATOM 321 NZ LYS A 21 10.958 -3.966 9.585 1.00 0.00 N ATOM 0 H LYS A 21 5.686 -3.681 4.205 1.00 0.00 H new ATOM 0 HA LYS A 21 5.486 -2.181 6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.750 -4.340 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.781 -3.770 5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.564 -1.876 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.463 -2.339 8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.621 -4.564 8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.729 -4.088 7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.528 -2.171 8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.372 -2.564 9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.555 -3.482 10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.437 -4.738 10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.558 -4.357 8.830 1.00 0.00 H new ATOM 335 N ILE A 22 6.577 -0.138 5.898 1.00 0.00 N ATOM 336 CA ILE A 22 7.139 1.116 5.309 1.00 0.00 C ATOM 337 C ILE A 22 8.463 1.463 5.986 1.00 0.00 C ATOM 338 O ILE A 22 8.565 1.474 7.200 1.00 0.00 O ATOM 339 CB ILE A 22 6.146 2.258 5.523 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.840 1.934 4.792 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.736 3.556 4.973 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.767 2.952 5.182 1.00 0.00 C ATOM 0 H ILE A 22 6.119 -0.020 6.802 1.00 0.00 H new ATOM 0 HA ILE A 22 7.312 0.968 4.243 1.00 0.00 H new ATOM 0 HB ILE A 22 5.947 2.377 6.588 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.000 1.954 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.510 0.927 5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.028 4.371 5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.667 3.782 5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.935 3.443 3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.838 2.720 4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.599 2.910 6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.098 3.953 4.905 1.00 0.00 H new ATOM 354 N THR A 23 9.478 1.745 5.202 1.00 0.00 N ATOM 355 CA THR A 23 10.809 2.101 5.781 1.00 0.00 C ATOM 356 C THR A 23 11.501 3.146 4.900 1.00 0.00 C ATOM 357 O THR A 23 11.266 3.232 3.707 1.00 0.00 O ATOM 358 CB THR A 23 11.689 0.852 5.862 1.00 0.00 C ATOM 359 OG1 THR A 23 10.971 -0.194 6.499 1.00 0.00 O ATOM 360 CG2 THR A 23 12.948 1.174 6.667 1.00 0.00 C ATOM 0 H THR A 23 9.439 1.743 4.183 1.00 0.00 H new ATOM 0 HA THR A 23 10.659 2.510 6.780 1.00 0.00 H new ATOM 0 HB THR A 23 11.969 0.536 4.857 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.535 -0.994 6.549 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.578 0.287 6.727 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.498 1.977 6.176 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.667 1.488 7.672 1.00 0.00 H new ATOM 368 N GLY A 24 12.363 3.936 5.487 1.00 0.00 N ATOM 369 CA GLY A 24 13.092 4.977 4.705 1.00 0.00 C ATOM 370 C GLY A 24 12.198 6.201 4.506 1.00 0.00 C ATOM 371 O GLY A 24 11.818 6.529 3.401 1.00 0.00 O ATOM 0 H GLY A 24 12.594 3.904 6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.005 5.264 5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.392 4.574 3.738 1.00 0.00 H new ATOM 375 N ILE A 25 11.857 6.878 5.568 1.00 0.00 N ATOM 376 CA ILE A 25 10.984 8.080 5.440 1.00 0.00 C ATOM 377 C ILE A 25 11.822 9.292 5.034 1.00 0.00 C ATOM 378 O ILE A 25 12.829 9.596 5.642 1.00 0.00 O ATOM 379 CB ILE A 25 10.302 8.365 6.778 1.00 0.00 C ATOM 380 CG1 ILE A 25 9.630 7.086 7.291 1.00 0.00 C ATOM 381 CG2 ILE A 25 9.258 9.469 6.602 1.00 0.00 C ATOM 382 CD1 ILE A 25 8.700 6.500 6.220 1.00 0.00 C ATOM 0 H ILE A 25 12.145 6.651 6.520 1.00 0.00 H new ATOM 0 HA ILE A 25 10.229 7.890 4.677 1.00 0.00 H new ATOM 0 HB ILE A 25 11.047 8.695 7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.390 6.353 7.562 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.061 7.305 8.195 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.775 9.669 7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.745 10.377 6.245 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.509 9.150 5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.232 5.593 6.602 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.929 7.229 5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.278 6.262 5.327 1.00 0.00 H new ATOM 394 N HIS A 26 11.402 9.987 4.007 1.00 0.00 N ATOM 395 CA HIS A 26 12.146 11.195 3.536 1.00 0.00 C ATOM 396 C HIS A 26 11.197 12.393 3.527 1.00 0.00 C ATOM 397 O HIS A 26 10.084 12.313 3.045 1.00 0.00 O ATOM 398 CB HIS A 26 12.672 10.940 2.124 1.00 0.00 C ATOM 399 CG HIS A 26 13.704 9.848 2.177 1.00 0.00 C ATOM 400 ND1 HIS A 26 13.372 8.509 2.039 1.00 0.00 N ATOM 401 CD2 HIS A 26 15.063 9.880 2.364 1.00 0.00 C ATOM 402 CE1 HIS A 26 14.510 7.797 2.145 1.00 0.00 C ATOM 403 NE2 HIS A 26 15.570 8.584 2.344 1.00 0.00 N ATOM 0 H HIS A 26 10.565 9.766 3.468 1.00 0.00 H new ATOM 0 HA HIS A 26 12.984 11.402 4.201 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.854 10.653 1.463 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.108 11.851 1.714 1.00 0.00 H new ATOM 0 HD1 HIS A 26 12.437 8.132 1.885 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.650 10.775 2.505 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.559 6.720 2.077 1.00 0.00 H new ATOM 411 N LYS A 27 11.625 13.503 4.067 1.00 0.00 N ATOM 412 CA LYS A 27 10.748 14.710 4.106 1.00 0.00 C ATOM 413 C LYS A 27 11.038 15.601 2.902 1.00 0.00 C ATOM 414 O LYS A 27 12.175 15.869 2.570 1.00 0.00 O ATOM 415 CB LYS A 27 11.020 15.492 5.392 1.00 0.00 C ATOM 416 CG LYS A 27 10.068 16.687 5.470 1.00 0.00 C ATOM 417 CD LYS A 27 10.283 17.428 6.790 1.00 0.00 C ATOM 418 CE LYS A 27 9.319 18.611 6.869 1.00 0.00 C ATOM 419 NZ LYS A 27 9.502 19.316 8.169 1.00 0.00 N ATOM 0 H LYS A 27 12.548 13.626 4.484 1.00 0.00 H new ATOM 0 HA LYS A 27 9.704 14.397 4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.883 14.846 6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.054 15.835 5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.243 17.360 4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.035 16.347 5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.118 16.753 7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.313 17.778 6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.501 19.298 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.291 18.263 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.846 20.121 8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.308 18.658 8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.480 19.661 8.242 1.00 0.00 H new ATOM 433 N LYS A 28 10.009 16.066 2.246 1.00 0.00 N ATOM 434 CA LYS A 28 10.203 16.948 1.061 1.00 0.00 C ATOM 435 C LYS A 28 9.081 17.984 1.014 1.00 0.00 C ATOM 436 O LYS A 28 8.024 17.793 1.582 1.00 0.00 O ATOM 437 CB LYS A 28 10.169 16.101 -0.212 1.00 0.00 C ATOM 438 CG LYS A 28 10.743 16.908 -1.380 1.00 0.00 C ATOM 439 CD LYS A 28 10.858 16.013 -2.618 1.00 0.00 C ATOM 440 CE LYS A 28 9.465 15.698 -3.174 1.00 0.00 C ATOM 441 NZ LYS A 28 9.597 15.190 -4.569 1.00 0.00 N ATOM 0 H LYS A 28 9.036 15.871 2.482 1.00 0.00 H new ATOM 0 HA LYS A 28 11.165 17.455 1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.747 15.188 -0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.145 15.799 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.101 17.762 -1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.723 17.305 -1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.458 16.510 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.373 15.087 -2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.971 14.955 -2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.843 16.593 -3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.654 14.975 -4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.053 15.914 -5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.176 14.326 -4.571 1.00 0.00 H new ATOM 455 N GLU A 29 9.307 19.083 0.341 1.00 0.00 N ATOM 456 CA GLU A 29 8.266 20.154 0.241 1.00 0.00 C ATOM 457 C GLU A 29 7.967 20.442 -1.229 1.00 0.00 C ATOM 458 O GLU A 29 8.841 20.392 -2.072 1.00 0.00 O ATOM 459 CB GLU A 29 8.783 21.420 0.921 1.00 0.00 C ATOM 460 CG GLU A 29 8.855 21.178 2.428 1.00 0.00 C ATOM 461 CD GLU A 29 9.456 22.403 3.117 1.00 0.00 C ATOM 462 OE1 GLU A 29 9.809 23.338 2.417 1.00 0.00 O ATOM 463 OE2 GLU A 29 9.551 22.386 4.333 1.00 0.00 O ATOM 0 H GLU A 29 10.178 19.287 -0.149 1.00 0.00 H new ATOM 0 HA GLU A 29 7.351 19.824 0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.768 21.681 0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.123 22.260 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.859 20.979 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.462 20.297 2.636 1.00 0.00 H new ATOM 470 N TYR A 30 6.732 20.735 -1.545 1.00 0.00 N ATOM 471 CA TYR A 30 6.361 21.017 -2.964 1.00 0.00 C ATOM 472 C TYR A 30 5.321 22.138 -3.002 1.00 0.00 C ATOM 473 O TYR A 30 4.669 22.431 -2.018 1.00 0.00 O ATOM 474 CB TYR A 30 5.780 19.750 -3.600 1.00 0.00 C ATOM 475 CG TYR A 30 4.454 19.408 -2.951 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.411 18.964 -1.622 1.00 0.00 C ATOM 477 CD2 TYR A 30 3.264 19.533 -3.683 1.00 0.00 C ATOM 478 CE1 TYR A 30 3.183 18.647 -1.029 1.00 0.00 C ATOM 479 CE2 TYR A 30 2.038 19.215 -3.088 1.00 0.00 C ATOM 480 CZ TYR A 30 1.998 18.771 -1.762 1.00 0.00 C ATOM 481 OH TYR A 30 0.789 18.457 -1.176 1.00 0.00 O ATOM 0 H TYR A 30 5.962 20.791 -0.879 1.00 0.00 H new ATOM 0 HA TYR A 30 7.246 21.326 -3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.643 19.900 -4.671 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.477 18.921 -3.482 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.325 18.866 -1.055 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.294 19.875 -4.707 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.151 18.306 -0.005 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.122 19.312 -3.653 1.00 0.00 H new ATOM 0 HH TYR A 30 0.593 17.508 -1.320 1.00 0.00 H new ATOM 491 N GLU A 31 5.171 22.773 -4.131 1.00 0.00 N ATOM 492 CA GLU A 31 4.187 23.886 -4.241 1.00 0.00 C ATOM 493 C GLU A 31 2.778 23.317 -4.429 1.00 0.00 C ATOM 494 O GLU A 31 2.589 22.273 -5.021 1.00 0.00 O ATOM 495 CB GLU A 31 4.557 24.758 -5.445 1.00 0.00 C ATOM 496 CG GLU A 31 3.642 25.986 -5.511 1.00 0.00 C ATOM 497 CD GLU A 31 3.961 26.927 -4.347 1.00 0.00 C ATOM 498 OE1 GLU A 31 4.942 26.683 -3.664 1.00 0.00 O ATOM 499 OE2 GLU A 31 3.223 27.879 -4.163 1.00 0.00 O ATOM 0 H GLU A 31 5.689 22.568 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 31 4.207 24.485 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.597 25.074 -5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.467 24.179 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.780 26.505 -6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.598 25.677 -5.466 1.00 0.00 H new ATOM 506 N SER A 32 1.787 24.007 -3.929 1.00 0.00 N ATOM 507 CA SER A 32 0.378 23.532 -4.067 1.00 0.00 C ATOM 508 C SER A 32 -0.544 24.741 -4.235 1.00 0.00 C ATOM 509 O SER A 32 -0.156 25.754 -4.776 1.00 0.00 O ATOM 510 CB SER A 32 -0.025 22.758 -2.814 1.00 0.00 C ATOM 511 OG SER A 32 0.892 21.693 -2.607 1.00 0.00 O ATOM 0 H SER A 32 1.894 24.888 -3.426 1.00 0.00 H new ATOM 0 HA SER A 32 0.295 22.881 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.032 23.421 -1.949 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.036 22.367 -2.923 1.00 0.00 H new ATOM 0 HG SER A 32 0.862 21.082 -3.373 1.00 0.00 H new ATOM 517 N ASP A 33 -1.763 24.634 -3.776 1.00 0.00 N ATOM 518 CA ASP A 33 -2.727 25.765 -3.910 1.00 0.00 C ATOM 519 C ASP A 33 -2.097 27.058 -3.390 1.00 0.00 C ATOM 520 O ASP A 33 -2.290 27.453 -2.257 1.00 0.00 O ATOM 521 CB ASP A 33 -3.993 25.441 -3.113 1.00 0.00 C ATOM 522 CG ASP A 33 -4.779 24.344 -3.837 1.00 0.00 C ATOM 523 OD1 ASP A 33 -4.458 24.069 -4.982 1.00 0.00 O ATOM 524 OD2 ASP A 33 -5.689 23.798 -3.235 1.00 0.00 O ATOM 0 H ASP A 33 -2.134 23.806 -3.311 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.982 25.902 -4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.730 25.113 -2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.608 26.335 -3.006 1.00 0.00 H new ATOM 529 N GLY A 34 -1.347 27.719 -4.227 1.00 0.00 N ATOM 530 CA GLY A 34 -0.692 28.994 -3.820 1.00 0.00 C ATOM 531 C GLY A 34 -0.008 28.817 -2.466 1.00 0.00 C ATOM 532 O GLY A 34 0.272 29.778 -1.778 1.00 0.00 O ATOM 0 H GLY A 34 -1.158 27.427 -5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.040 29.293 -4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.433 29.791 -3.762 1.00 0.00 H new ATOM 536 N THR A 35 0.267 27.601 -2.071 1.00 0.00 N ATOM 537 CA THR A 35 0.936 27.385 -0.751 1.00 0.00 C ATOM 538 C THR A 35 1.838 26.152 -0.813 1.00 0.00 C ATOM 539 O THR A 35 1.592 25.223 -1.554 1.00 0.00 O ATOM 540 CB THR A 35 -0.126 27.182 0.331 1.00 0.00 C ATOM 541 OG1 THR A 35 0.507 27.119 1.602 1.00 0.00 O ATOM 542 CG2 THR A 35 -0.889 25.881 0.072 1.00 0.00 C ATOM 0 H THR A 35 0.060 26.754 -2.600 1.00 0.00 H new ATOM 0 HA THR A 35 1.543 28.259 -0.514 1.00 0.00 H new ATOM 0 HB THR A 35 -0.828 28.016 0.312 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.170 26.991 2.299 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.644 25.742 0.846 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.374 25.931 -0.903 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.194 25.042 0.089 1.00 0.00 H new ATOM 550 N THR A 36 2.883 26.140 -0.028 1.00 0.00 N ATOM 551 CA THR A 36 3.811 24.971 -0.020 1.00 0.00 C ATOM 552 C THR A 36 3.330 23.955 1.017 1.00 0.00 C ATOM 553 O THR A 36 3.039 24.300 2.145 1.00 0.00 O ATOM 554 CB THR A 36 5.224 25.444 0.341 1.00 0.00 C ATOM 555 OG1 THR A 36 5.735 26.243 -0.717 1.00 0.00 O ATOM 556 CG2 THR A 36 6.138 24.234 0.553 1.00 0.00 C ATOM 0 H THR A 36 3.135 26.894 0.611 1.00 0.00 H new ATOM 0 HA THR A 36 3.827 24.507 -1.006 1.00 0.00 H new ATOM 0 HB THR A 36 5.186 26.030 1.260 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.177 26.126 -1.514 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.141 24.576 0.809 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.746 23.619 1.363 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.179 23.644 -0.363 1.00 0.00 H new ATOM 564 N LYS A 37 3.239 22.705 0.636 1.00 0.00 N ATOM 565 CA LYS A 37 2.772 21.642 1.583 1.00 0.00 C ATOM 566 C LYS A 37 3.866 20.593 1.769 1.00 0.00 C ATOM 567 O LYS A 37 4.629 20.302 0.868 1.00 0.00 O ATOM 568 CB LYS A 37 1.523 20.977 1.010 1.00 0.00 C ATOM 569 CG LYS A 37 0.362 21.971 1.047 1.00 0.00 C ATOM 570 CD LYS A 37 -0.885 21.319 0.450 1.00 0.00 C ATOM 571 CE LYS A 37 -2.053 22.304 0.513 1.00 0.00 C ATOM 572 NZ LYS A 37 -3.268 21.669 -0.071 1.00 0.00 N ATOM 0 H LYS A 37 3.470 22.371 -0.300 1.00 0.00 H new ATOM 0 HA LYS A 37 2.543 22.092 2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.707 20.652 -0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.273 20.086 1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.167 22.281 2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.620 22.869 0.486 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.697 21.027 -0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.132 20.410 0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.242 22.595 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.806 23.214 -0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.063 22.338 -0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.083 21.412 -1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.506 20.813 0.470 1.00 0.00 H new ATOM 586 N SER A 38 3.950 20.028 2.943 1.00 0.00 N ATOM 587 CA SER A 38 4.992 18.999 3.208 1.00 0.00 C ATOM 588 C SER A 38 4.508 17.632 2.727 1.00 0.00 C ATOM 589 O SER A 38 3.334 17.311 2.794 1.00 0.00 O ATOM 590 CB SER A 38 5.268 18.940 4.709 1.00 0.00 C ATOM 591 OG SER A 38 4.107 18.470 5.381 1.00 0.00 O ATOM 0 H SER A 38 3.338 20.237 3.732 1.00 0.00 H new ATOM 0 HA SER A 38 5.904 19.263 2.673 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.111 18.279 4.910 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.542 19.928 5.079 1.00 0.00 H new ATOM 0 HG SER A 38 4.281 18.429 6.345 1.00 0.00 H new ATOM 597 N VAL A 39 5.414 16.818 2.255 1.00 0.00 N ATOM 598 CA VAL A 39 5.041 15.457 1.774 1.00 0.00 C ATOM 599 C VAL A 39 6.110 14.463 2.225 1.00 0.00 C ATOM 600 O VAL A 39 7.293 14.738 2.164 1.00 0.00 O ATOM 601 CB VAL A 39 4.934 15.465 0.243 1.00 0.00 C ATOM 602 CG1 VAL A 39 6.324 15.591 -0.389 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.283 14.162 -0.222 1.00 0.00 C ATOM 0 H VAL A 39 6.407 17.041 2.182 1.00 0.00 H new ATOM 0 HA VAL A 39 4.077 15.164 2.190 1.00 0.00 H new ATOM 0 HB VAL A 39 4.328 16.317 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.231 15.595 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.790 16.520 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.942 14.747 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.204 14.162 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.892 13.317 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.287 14.077 0.214 1.00 0.00 H new ATOM 613 N TYR A 40 5.700 13.310 2.682 1.00 0.00 N ATOM 614 CA TYR A 40 6.679 12.284 3.149 1.00 0.00 C ATOM 615 C TYR A 40 6.802 11.187 2.099 1.00 0.00 C ATOM 616 O TYR A 40 5.818 10.632 1.651 1.00 0.00 O ATOM 617 CB TYR A 40 6.181 11.679 4.461 1.00 0.00 C ATOM 618 CG TYR A 40 6.216 12.732 5.539 1.00 0.00 C ATOM 619 CD1 TYR A 40 5.103 13.553 5.756 1.00 0.00 C ATOM 620 CD2 TYR A 40 7.367 12.892 6.321 1.00 0.00 C ATOM 621 CE1 TYR A 40 5.139 14.532 6.756 1.00 0.00 C ATOM 622 CE2 TYR A 40 7.403 13.871 7.319 1.00 0.00 C ATOM 623 CZ TYR A 40 6.290 14.691 7.538 1.00 0.00 C ATOM 624 OH TYR A 40 6.327 15.656 8.524 1.00 0.00 O ATOM 0 H TYR A 40 4.721 13.032 2.753 1.00 0.00 H new ATOM 0 HA TYR A 40 7.653 12.748 3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.166 11.301 4.339 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.805 10.831 4.744 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.216 13.431 5.152 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.226 12.260 6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.280 15.164 6.924 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.291 13.994 7.922 1.00 0.00 H new ATOM 0 HH TYR A 40 7.198 15.632 8.973 1.00 0.00 H new ATOM 634 N GLN A 41 8.007 10.869 1.708 1.00 0.00 N ATOM 635 CA GLN A 41 8.226 9.802 0.684 1.00 0.00 C ATOM 636 C GLN A 41 8.945 8.630 1.335 1.00 0.00 C ATOM 637 O GLN A 41 9.640 8.782 2.320 1.00 0.00 O ATOM 638 CB GLN A 41 9.090 10.354 -0.448 1.00 0.00 C ATOM 639 CG GLN A 41 8.287 11.384 -1.239 1.00 0.00 C ATOM 640 CD GLN A 41 9.156 11.967 -2.354 1.00 0.00 C ATOM 641 OE1 GLN A 41 10.167 12.586 -2.092 1.00 0.00 O ATOM 642 NE2 GLN A 41 8.800 11.792 -3.597 1.00 0.00 N ATOM 0 H GLN A 41 8.859 11.307 2.057 1.00 0.00 H new ATOM 0 HA GLN A 41 7.266 9.474 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.992 10.813 -0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.411 9.545 -1.104 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.398 10.918 -1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.945 12.180 -0.577 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.950 11.272 -3.816 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.371 12.175 -4.350 1.00 0.00 H new ATOM 651 N GLY A 42 8.782 7.458 0.798 1.00 0.00 N ATOM 652 CA GLY A 42 9.460 6.278 1.394 1.00 0.00 C ATOM 653 C GLY A 42 9.191 5.049 0.536 1.00 0.00 C ATOM 654 O GLY A 42 8.677 5.148 -0.561 1.00 0.00 O ATOM 0 H GLY A 42 8.211 7.265 -0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.533 6.458 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.099 6.112 2.409 1.00 0.00 H new ATOM 658 N TYR A 43 9.538 3.889 1.029 1.00 0.00 N ATOM 659 CA TYR A 43 9.311 2.630 0.254 1.00 0.00 C ATOM 660 C TYR A 43 8.497 1.655 1.091 1.00 0.00 C ATOM 661 O TYR A 43 8.628 1.594 2.298 1.00 0.00 O ATOM 662 CB TYR A 43 10.657 1.993 -0.086 1.00 0.00 C ATOM 663 CG TYR A 43 11.408 2.887 -1.040 1.00 0.00 C ATOM 664 CD1 TYR A 43 12.190 3.938 -0.550 1.00 0.00 C ATOM 665 CD2 TYR A 43 11.322 2.660 -2.418 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.887 4.763 -1.440 1.00 0.00 C ATOM 667 CE2 TYR A 43 12.018 3.483 -3.307 1.00 0.00 C ATOM 668 CZ TYR A 43 12.801 4.536 -2.819 1.00 0.00 C ATOM 669 OH TYR A 43 13.490 5.348 -3.696 1.00 0.00 O ATOM 0 H TYR A 43 9.972 3.757 1.942 1.00 0.00 H new ATOM 0 HA TYR A 43 8.771 2.865 -0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.240 1.841 0.823 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.504 1.011 -0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.256 4.113 0.514 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.717 1.848 -2.795 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.491 5.575 -1.063 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.952 3.307 -4.370 1.00 0.00 H new ATOM 0 HH TYR A 43 13.322 5.053 -4.615 1.00 0.00 H new ATOM 679 N ILE A 44 7.664 0.878 0.449 1.00 0.00 N ATOM 680 CA ILE A 44 6.836 -0.127 1.178 1.00 0.00 C ATOM 681 C ILE A 44 7.090 -1.486 0.541 1.00 0.00 C ATOM 682 O ILE A 44 7.210 -1.594 -0.661 1.00 0.00 O ATOM 683 CB ILE A 44 5.354 0.235 1.059 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.533 -0.730 1.917 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.906 0.131 -0.401 1.00 0.00 C ATOM 686 CD1 ILE A 44 3.099 -0.212 2.036 1.00 0.00 C ATOM 0 H ILE A 44 7.521 0.898 -0.561 1.00 0.00 H new ATOM 0 HA ILE A 44 7.101 -0.146 2.235 1.00 0.00 H new ATOM 0 HB ILE A 44 5.202 1.258 1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.536 -1.724 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.980 -0.824 2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.850 0.390 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.493 0.817 -1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.056 -0.889 -0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.514 -0.899 2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.106 0.773 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.654 -0.140 1.043 1.00 0.00 H new ATOM 698 N GLU A 45 7.200 -2.521 1.336 1.00 0.00 N ATOM 699 CA GLU A 45 7.478 -3.883 0.777 1.00 0.00 C ATOM 700 C GLU A 45 6.442 -4.882 1.282 1.00 0.00 C ATOM 701 O GLU A 45 5.920 -4.762 2.373 1.00 0.00 O ATOM 702 CB GLU A 45 8.871 -4.336 1.218 1.00 0.00 C ATOM 703 CG GLU A 45 9.187 -5.692 0.582 1.00 0.00 C ATOM 704 CD GLU A 45 10.610 -6.111 0.946 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.186 -5.486 1.822 1.00 0.00 O ATOM 706 OE2 GLU A 45 11.102 -7.051 0.343 1.00 0.00 O ATOM 0 H GLU A 45 7.109 -2.483 2.351 1.00 0.00 H new ATOM 0 HA GLU A 45 7.428 -3.837 -0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.617 -3.599 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.914 -4.412 2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.476 -6.442 0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.081 -5.630 -0.501 1.00 0.00 H new ATOM 713 N ASP A 46 6.151 -5.874 0.481 1.00 0.00 N ATOM 714 CA ASP A 46 5.154 -6.910 0.872 1.00 0.00 C ATOM 715 C ASP A 46 5.704 -8.292 0.504 1.00 0.00 C ATOM 716 O ASP A 46 6.892 -8.470 0.320 1.00 0.00 O ATOM 717 CB ASP A 46 3.848 -6.658 0.115 1.00 0.00 C ATOM 718 CG ASP A 46 2.717 -7.462 0.758 1.00 0.00 C ATOM 719 OD1 ASP A 46 3.003 -8.233 1.659 1.00 0.00 O ATOM 720 OD2 ASP A 46 1.585 -7.291 0.340 1.00 0.00 O ATOM 0 H ASP A 46 6.569 -6.010 -0.440 1.00 0.00 H new ATOM 0 HA ASP A 46 4.966 -6.865 1.945 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.606 -5.595 0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.961 -6.944 -0.931 1.00 0.00 H new ATOM 725 N ASP A 47 4.850 -9.273 0.402 1.00 0.00 N ATOM 726 CA ASP A 47 5.317 -10.645 0.053 1.00 0.00 C ATOM 727 C ASP A 47 5.515 -10.763 -1.460 1.00 0.00 C ATOM 728 O ASP A 47 5.956 -11.783 -1.955 1.00 0.00 O ATOM 729 CB ASP A 47 4.270 -11.660 0.519 1.00 0.00 C ATOM 730 CG ASP A 47 2.885 -11.224 0.037 1.00 0.00 C ATOM 731 OD1 ASP A 47 2.622 -11.357 -1.147 1.00 0.00 O ATOM 732 OD2 ASP A 47 2.110 -10.765 0.860 1.00 0.00 O ATOM 0 H ASP A 47 3.844 -9.183 0.546 1.00 0.00 H new ATOM 0 HA ASP A 47 6.269 -10.843 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.508 -12.649 0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.281 -11.736 1.606 1.00 0.00 H new ATOM 737 N THR A 48 5.195 -9.730 -2.201 1.00 0.00 N ATOM 738 CA THR A 48 5.368 -9.772 -3.690 1.00 0.00 C ATOM 739 C THR A 48 6.558 -8.898 -4.089 1.00 0.00 C ATOM 740 O THR A 48 7.534 -9.373 -4.637 1.00 0.00 O ATOM 741 CB THR A 48 4.103 -9.231 -4.362 1.00 0.00 C ATOM 742 OG1 THR A 48 3.877 -7.897 -3.934 1.00 0.00 O ATOM 743 CG2 THR A 48 2.905 -10.102 -3.981 1.00 0.00 C ATOM 0 H THR A 48 4.819 -8.854 -1.838 1.00 0.00 H new ATOM 0 HA THR A 48 5.544 -10.800 -4.006 1.00 0.00 H new ATOM 0 HB THR A 48 4.230 -9.250 -5.444 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.196 -7.275 -4.621 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.006 -9.714 -4.461 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.080 -11.126 -4.311 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.774 -10.087 -2.899 1.00 0.00 H new ATOM 751 N ALA A 49 6.486 -7.622 -3.821 1.00 0.00 N ATOM 752 CA ALA A 49 7.614 -6.718 -4.190 1.00 0.00 C ATOM 753 C ALA A 49 7.523 -5.426 -3.376 1.00 0.00 C ATOM 754 O ALA A 49 7.016 -5.411 -2.273 1.00 0.00 O ATOM 755 CB ALA A 49 7.532 -6.382 -5.678 1.00 0.00 C ATOM 0 H ALA A 49 5.696 -7.167 -3.363 1.00 0.00 H new ATOM 0 HA ALA A 49 8.560 -7.217 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.356 -5.722 -5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.596 -7.300 -6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.585 -5.885 -5.887 1.00 0.00 H new ATOM 761 N ARG A 50 8.015 -4.338 -3.914 1.00 0.00 N ATOM 762 CA ARG A 50 7.961 -3.039 -3.173 1.00 0.00 C ATOM 763 C ARG A 50 7.741 -1.885 -4.153 1.00 0.00 C ATOM 764 O ARG A 50 8.039 -1.987 -5.326 1.00 0.00 O ATOM 765 CB ARG A 50 9.276 -2.826 -2.410 1.00 0.00 C ATOM 766 CG ARG A 50 10.457 -2.793 -3.390 1.00 0.00 C ATOM 767 CD ARG A 50 11.759 -2.566 -2.614 1.00 0.00 C ATOM 768 NE ARG A 50 12.014 -3.729 -1.716 1.00 0.00 N ATOM 769 CZ ARG A 50 13.032 -3.718 -0.896 1.00 0.00 C ATOM 770 NH1 ARG A 50 13.848 -2.699 -0.873 1.00 0.00 N ATOM 771 NH2 ARG A 50 13.235 -4.732 -0.100 1.00 0.00 N ATOM 0 H ARG A 50 8.452 -4.293 -4.835 1.00 0.00 H new ATOM 0 HA ARG A 50 7.132 -3.067 -2.466 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.233 -1.892 -1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.418 -3.627 -1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.510 -3.730 -3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.314 -1.998 -4.122 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.590 -2.440 -3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.690 -1.649 -2.028 1.00 0.00 H new ATOM 0 HE ARG A 50 11.391 -4.537 -1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.693 -1.907 -1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.641 -2.695 -0.231 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.600 -5.530 -0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.028 -4.726 0.541 1.00 0.00 H new ATOM 785 N ILE A 51 7.219 -0.782 -3.677 1.00 0.00 N ATOM 786 CA ILE A 51 6.978 0.388 -4.575 1.00 0.00 C ATOM 787 C ILE A 51 7.177 1.695 -3.800 1.00 0.00 C ATOM 788 O ILE A 51 7.123 1.729 -2.586 1.00 0.00 O ATOM 789 CB ILE A 51 5.550 0.329 -5.119 1.00 0.00 C ATOM 790 CG1 ILE A 51 5.342 1.478 -6.108 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.551 0.463 -3.967 1.00 0.00 C ATOM 792 CD1 ILE A 51 4.052 1.248 -6.897 1.00 0.00 C ATOM 0 H ILE A 51 6.949 -0.642 -2.703 1.00 0.00 H new ATOM 0 HA ILE A 51 7.686 0.353 -5.403 1.00 0.00 H new ATOM 0 HB ILE A 51 5.392 -0.625 -5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.289 2.426 -5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.190 1.543 -6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.535 0.420 -4.360 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.701 -0.352 -3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.705 1.416 -3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.905 2.067 -7.601 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.123 0.308 -7.444 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.208 1.205 -6.209 1.00 0.00 H new ATOM 804 N ARG A 52 7.410 2.774 -4.502 1.00 0.00 N ATOM 805 CA ARG A 52 7.613 4.089 -3.826 1.00 0.00 C ATOM 806 C ARG A 52 6.267 4.644 -3.365 1.00 0.00 C ATOM 807 O ARG A 52 5.257 4.472 -4.020 1.00 0.00 O ATOM 808 CB ARG A 52 8.263 5.073 -4.805 1.00 0.00 C ATOM 809 CG ARG A 52 8.533 6.404 -4.094 1.00 0.00 C ATOM 810 CD ARG A 52 9.267 7.355 -5.044 1.00 0.00 C ATOM 811 NE ARG A 52 8.380 7.693 -6.194 1.00 0.00 N ATOM 812 CZ ARG A 52 8.836 8.404 -7.192 1.00 0.00 C ATOM 813 NH1 ARG A 52 10.072 8.827 -7.188 1.00 0.00 N ATOM 814 NH2 ARG A 52 8.053 8.693 -8.196 1.00 0.00 N ATOM 0 H ARG A 52 7.469 2.800 -5.520 1.00 0.00 H new ATOM 0 HA ARG A 52 8.263 3.953 -2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.195 4.658 -5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.610 5.233 -5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.594 6.852 -3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.131 6.235 -3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.556 8.263 -4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.185 6.890 -5.404 1.00 0.00 H new ATOM 0 HE ARG A 52 7.413 7.368 -6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.685 8.603 -6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.424 9.381 -7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.087 8.364 -8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.407 9.248 -8.976 1.00 0.00 H new ATOM 828 N ILE A 53 6.246 5.310 -2.237 1.00 0.00 N ATOM 829 CA ILE A 53 4.970 5.887 -1.710 1.00 0.00 C ATOM 830 C ILE A 53 5.163 7.364 -1.371 1.00 0.00 C ATOM 831 O ILE A 53 6.268 7.823 -1.137 1.00 0.00 O ATOM 832 CB ILE A 53 4.555 5.126 -0.448 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.671 5.205 0.604 1.00 0.00 C ATOM 834 CG2 ILE A 53 4.296 3.663 -0.806 1.00 0.00 C ATOM 835 CD1 ILE A 53 5.177 4.612 1.924 1.00 0.00 C ATOM 0 H ILE A 53 7.065 5.480 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 53 4.194 5.795 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 53 3.649 5.573 -0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.550 4.663 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.973 6.242 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.000 3.116 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.498 3.605 -1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.205 3.222 -1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.971 4.669 2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.311 5.174 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.897 3.570 1.772 1.00 0.00 H new ATOM 847 N SER A 54 4.088 8.101 -1.330 1.00 0.00 N ATOM 848 CA SER A 54 4.167 9.551 -0.996 1.00 0.00 C ATOM 849 C SER A 54 2.923 9.936 -0.197 1.00 0.00 C ATOM 850 O SER A 54 1.809 9.691 -0.617 1.00 0.00 O ATOM 851 CB SER A 54 4.216 10.365 -2.289 1.00 0.00 C ATOM 852 OG SER A 54 3.023 10.143 -3.029 1.00 0.00 O ATOM 0 H SER A 54 3.146 7.756 -1.516 1.00 0.00 H new ATOM 0 HA SER A 54 5.063 9.753 -0.409 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.324 11.425 -2.061 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.084 10.076 -2.881 1.00 0.00 H new ATOM 0 HG SER A 54 3.115 10.533 -3.923 1.00 0.00 H new ATOM 858 N SER A 55 3.104 10.531 0.956 1.00 0.00 N ATOM 859 CA SER A 55 1.935 10.932 1.805 1.00 0.00 C ATOM 860 C SER A 55 1.883 12.452 1.914 1.00 0.00 C ATOM 861 O SER A 55 2.856 13.094 2.254 1.00 0.00 O ATOM 862 CB SER A 55 2.090 10.319 3.196 1.00 0.00 C ATOM 863 OG SER A 55 1.067 10.818 4.046 1.00 0.00 O ATOM 0 H SER A 55 4.017 10.758 1.350 1.00 0.00 H new ATOM 0 HA SER A 55 1.011 10.574 1.351 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.031 9.232 3.136 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.070 10.562 3.606 1.00 0.00 H new ATOM 0 HG SER A 55 1.469 11.190 4.858 1.00 0.00 H new ATOM 869 N PHE A 56 0.750 13.033 1.612 1.00 0.00 N ATOM 870 CA PHE A 56 0.628 14.521 1.677 1.00 0.00 C ATOM 871 C PHE A 56 -0.003 14.946 3.006 1.00 0.00 C ATOM 872 O PHE A 56 -1.135 14.618 3.302 1.00 0.00 O ATOM 873 CB PHE A 56 -0.248 14.987 0.514 1.00 0.00 C ATOM 874 CG PHE A 56 0.462 14.681 -0.783 1.00 0.00 C ATOM 875 CD1 PHE A 56 1.495 15.514 -1.227 1.00 0.00 C ATOM 876 CD2 PHE A 56 0.099 13.557 -1.535 1.00 0.00 C ATOM 877 CE1 PHE A 56 2.161 15.228 -2.424 1.00 0.00 C ATOM 878 CE2 PHE A 56 0.766 13.270 -2.732 1.00 0.00 C ATOM 879 CZ PHE A 56 1.797 14.104 -3.176 1.00 0.00 C ATOM 0 H PHE A 56 -0.096 12.542 1.323 1.00 0.00 H new ATOM 0 HA PHE A 56 1.617 14.974 1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.214 14.483 0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.444 16.056 0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.779 16.379 -0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.696 12.911 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.955 15.874 -2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.484 12.404 -3.313 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.312 13.881 -4.099 1.00 0.00 H new ATOM 889 N GLY A 57 0.723 15.690 3.800 1.00 0.00 N ATOM 890 CA GLY A 57 0.169 16.160 5.106 1.00 0.00 C ATOM 891 C GLY A 57 0.338 15.083 6.181 1.00 0.00 C ATOM 892 O GLY A 57 0.888 15.331 7.236 1.00 0.00 O ATOM 0 H GLY A 57 1.676 15.993 3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.677 17.073 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.887 16.406 4.992 1.00 0.00 H new ATOM 896 N LYS A 58 -0.142 13.894 5.933 1.00 0.00 N ATOM 897 CA LYS A 58 -0.018 12.814 6.957 1.00 0.00 C ATOM 898 C LYS A 58 1.436 12.363 7.092 1.00 0.00 C ATOM 899 O LYS A 58 2.150 12.216 6.120 1.00 0.00 O ATOM 900 CB LYS A 58 -0.896 11.628 6.555 1.00 0.00 C ATOM 901 CG LYS A 58 -2.365 12.002 6.749 1.00 0.00 C ATOM 902 CD LYS A 58 -3.253 10.819 6.361 1.00 0.00 C ATOM 903 CE LYS A 58 -4.721 11.199 6.561 1.00 0.00 C ATOM 904 NZ LYS A 58 -5.002 11.355 8.016 1.00 0.00 N ATOM 0 H LYS A 58 -0.613 13.623 5.070 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.348 13.203 7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.711 11.359 5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.648 10.755 7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.546 12.280 7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.613 12.871 6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.076 10.543 5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.005 9.949 6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.942 12.128 6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.367 10.431 6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.027 11.292 8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.520 10.601 8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.656 12.281 8.339 1.00 0.00 H new ATOM 918 N GLN A 59 1.877 12.150 8.306 1.00 0.00 N ATOM 919 CA GLN A 59 3.285 11.714 8.537 1.00 0.00 C ATOM 920 C GLN A 59 3.377 10.189 8.487 1.00 0.00 C ATOM 921 O GLN A 59 2.401 9.490 8.674 1.00 0.00 O ATOM 922 CB GLN A 59 3.752 12.205 9.909 1.00 0.00 C ATOM 923 CG GLN A 59 5.228 11.849 10.095 1.00 0.00 C ATOM 924 CD GLN A 59 5.772 12.527 11.351 1.00 0.00 C ATOM 925 OE1 GLN A 59 5.178 13.455 11.862 1.00 0.00 O ATOM 926 NE2 GLN A 59 6.888 12.099 11.873 1.00 0.00 N ATOM 0 H GLN A 59 1.317 12.261 9.152 1.00 0.00 H new ATOM 0 HA GLN A 59 3.920 12.136 7.758 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.613 13.283 9.989 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.153 11.747 10.696 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.343 10.768 10.176 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.800 12.166 9.223 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.386 11.320 11.443 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.263 12.544 12.711 1.00 0.00 H new ATOM 935 N LEU A 60 4.555 9.675 8.236 1.00 0.00 N ATOM 936 CA LEU A 60 4.757 8.194 8.165 1.00 0.00 C ATOM 937 C LEU A 60 5.797 7.777 9.201 1.00 0.00 C ATOM 938 O LEU A 60 6.644 8.555 9.594 1.00 0.00 O ATOM 939 CB LEU A 60 5.255 7.824 6.769 1.00 0.00 C ATOM 940 CG LEU A 60 4.243 8.291 5.718 1.00 0.00 C ATOM 941 CD1 LEU A 60 4.773 7.945 4.324 1.00 0.00 C ATOM 942 CD2 LEU A 60 2.886 7.600 5.946 1.00 0.00 C ATOM 0 H LEU A 60 5.398 10.227 8.075 1.00 0.00 H new ATOM 0 HA LEU A 60 3.816 7.682 8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.225 8.286 6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.397 6.746 6.697 1.00 0.00 H new ATOM 0 HG LEU A 60 4.105 9.369 5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.058 8.275 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.727 8.447 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.912 6.867 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.174 7.939 5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.010 6.520 5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.512 7.851 6.939 1.00 0.00 H new ATOM 954 N GLN A 61 5.728 6.551 9.655 1.00 0.00 N ATOM 955 CA GLN A 61 6.698 6.057 10.682 1.00 0.00 C ATOM 956 C GLN A 61 7.693 5.095 10.035 1.00 0.00 C ATOM 957 O GLN A 61 7.335 4.238 9.252 1.00 0.00 O ATOM 958 CB GLN A 61 5.926 5.333 11.785 1.00 0.00 C ATOM 959 CG GLN A 61 5.127 6.359 12.590 1.00 0.00 C ATOM 960 CD GLN A 61 4.290 5.641 13.647 1.00 0.00 C ATOM 961 OE1 GLN A 61 3.617 4.673 13.355 1.00 0.00 O ATOM 962 NE2 GLN A 61 4.302 6.079 14.877 1.00 0.00 N ATOM 0 H GLN A 61 5.035 5.865 9.356 1.00 0.00 H new ATOM 0 HA GLN A 61 7.245 6.900 11.105 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.256 4.591 11.351 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.615 4.797 12.437 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.803 7.068 13.067 1.00 0.00 H new ATOM 0 HG3 GLN A 61 4.480 6.932 11.927 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.867 6.892 15.123 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.747 5.608 15.591 1.00 0.00 H new ATOM 971 N ASP A 62 8.946 5.253 10.354 1.00 0.00 N ATOM 972 CA ASP A 62 9.999 4.381 9.764 1.00 0.00 C ATOM 973 C ASP A 62 9.841 2.932 10.240 1.00 0.00 C ATOM 974 O ASP A 62 9.597 2.663 11.399 1.00 0.00 O ATOM 975 CB ASP A 62 11.371 4.918 10.175 1.00 0.00 C ATOM 976 CG ASP A 62 12.470 4.096 9.502 1.00 0.00 C ATOM 977 OD1 ASP A 62 12.539 4.121 8.285 1.00 0.00 O ATOM 978 OD2 ASP A 62 13.226 3.459 10.216 1.00 0.00 O ATOM 0 H ASP A 62 9.290 5.958 11.006 1.00 0.00 H new ATOM 0 HA ASP A 62 9.902 4.390 8.678 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.462 5.966 9.890 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.481 4.871 11.258 1.00 0.00 H new ATOM 983 N SER A 63 9.985 2.004 9.330 1.00 0.00 N ATOM 984 CA SER A 63 9.858 0.558 9.668 1.00 0.00 C ATOM 985 C SER A 63 8.626 0.328 10.538 1.00 0.00 C ATOM 986 O SER A 63 8.715 0.174 11.740 1.00 0.00 O ATOM 987 CB SER A 63 11.111 0.080 10.402 1.00 0.00 C ATOM 988 OG SER A 63 12.239 0.234 9.549 1.00 0.00 O ATOM 0 H SER A 63 10.189 2.193 8.349 1.00 0.00 H new ATOM 0 HA SER A 63 9.749 -0.010 8.744 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.252 0.654 11.318 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.000 -0.964 10.694 1.00 0.00 H new ATOM 0 HG SER A 63 13.046 -0.070 10.015 1.00 0.00 H new ATOM 994 N ASP A 64 7.474 0.296 9.928 1.00 0.00 N ATOM 995 CA ASP A 64 6.217 0.067 10.702 1.00 0.00 C ATOM 996 C ASP A 64 5.189 -0.632 9.806 1.00 0.00 C ATOM 997 O ASP A 64 4.892 -0.184 8.713 1.00 0.00 O ATOM 998 CB ASP A 64 5.657 1.404 11.193 1.00 0.00 C ATOM 999 CG ASP A 64 4.454 1.150 12.104 1.00 0.00 C ATOM 1000 OD1 ASP A 64 4.022 0.011 12.179 1.00 0.00 O ATOM 1001 OD2 ASP A 64 3.990 2.097 12.719 1.00 0.00 O ATOM 0 H ASP A 64 7.346 0.419 8.924 1.00 0.00 H new ATOM 0 HA ASP A 64 6.433 -0.563 11.565 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.426 1.956 11.734 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.360 2.020 10.344 1.00 0.00 H new ATOM 1006 N VAL A 65 4.657 -1.739 10.259 1.00 0.00 N ATOM 1007 CA VAL A 65 3.655 -2.480 9.441 1.00 0.00 C ATOM 1008 C VAL A 65 2.300 -1.788 9.558 1.00 0.00 C ATOM 1009 O VAL A 65 1.710 -1.715 10.621 1.00 0.00 O ATOM 1010 CB VAL A 65 3.553 -3.919 9.952 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.801 -4.774 8.930 1.00 0.00 C ATOM 1012 CG2 VAL A 65 4.963 -4.484 10.148 1.00 0.00 C ATOM 0 H VAL A 65 4.875 -2.161 11.162 1.00 0.00 H new ATOM 0 HA VAL A 65 3.963 -2.491 8.395 1.00 0.00 H new ATOM 0 HB VAL A 65 3.015 -3.933 10.900 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.729 -5.798 9.295 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.799 -4.370 8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.338 -4.764 7.982 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.897 -5.509 10.512 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.496 -4.470 9.197 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.501 -3.875 10.874 1.00 0.00 H new ATOM 1022 N VAL A 66 1.804 -1.269 8.464 1.00 0.00 N ATOM 1023 CA VAL A 66 0.486 -0.565 8.493 1.00 0.00 C ATOM 1024 C VAL A 66 -0.312 -0.902 7.236 1.00 0.00 C ATOM 1025 O VAL A 66 0.208 -1.446 6.275 1.00 0.00 O ATOM 1026 CB VAL A 66 0.712 0.948 8.567 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.424 1.294 9.875 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.570 1.400 7.384 1.00 0.00 C ATOM 0 H VAL A 66 2.256 -1.302 7.550 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.073 -0.892 9.370 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.250 1.458 8.530 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.585 2.371 9.928 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.810 0.977 10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.385 0.781 9.913 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.729 2.477 7.440 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.532 0.889 7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.061 1.156 6.451 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.580 -0.575 7.247 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.463 -0.846 6.075 1.00 0.00 C ATOM 1040 C ARG A 67 -3.066 0.470 5.591 1.00 0.00 C ATOM 1041 O ARG A 67 -3.591 1.245 6.367 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.577 -1.807 6.491 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.475 -2.094 5.288 1.00 0.00 C ATOM 1044 CD ARG A 67 -5.480 -3.191 5.645 1.00 0.00 C ATOM 1045 NE ARG A 67 -6.415 -2.690 6.692 1.00 0.00 N ATOM 1046 CZ ARG A 67 -7.312 -3.489 7.206 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -7.392 -4.731 6.807 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -8.131 -3.045 8.117 1.00 0.00 N ATOM 0 H ARG A 67 -2.047 -0.124 8.034 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.884 -1.298 5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.149 -2.735 6.869 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.163 -1.373 7.301 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.002 -1.187 4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.870 -2.405 4.436 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.038 -3.490 4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.955 -4.076 6.005 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.355 -1.722 7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.753 -5.079 6.092 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.093 -5.352 7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.071 -2.075 8.428 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.832 -3.667 8.519 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.983 0.733 4.311 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.535 2.008 3.757 1.00 0.00 C ATOM 1064 C ILE A 68 -4.809 1.705 2.972 1.00 0.00 C ATOM 1065 O ILE A 68 -4.837 0.831 2.127 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.496 2.641 2.829 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.198 2.860 3.611 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -3.012 3.991 2.324 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.091 3.308 2.655 1.00 0.00 C ATOM 0 H ILE A 68 -2.554 0.116 3.622 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.766 2.698 4.569 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.315 1.982 1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.351 3.612 4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.906 1.939 4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.270 4.440 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.943 3.843 1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.190 4.653 3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.832 3.463 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.068 2.540 1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.383 4.240 2.171 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.866 2.423 3.256 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.164 2.200 2.548 1.00 0.00 C ATOM 1083 C ASP A 69 -7.480 3.396 1.648 1.00 0.00 C ATOM 1084 O ASP A 69 -7.214 4.536 1.991 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.275 2.035 3.584 1.00 0.00 C ATOM 1086 CG ASP A 69 -8.103 0.696 4.303 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -7.326 -0.114 3.825 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -8.754 0.502 5.316 1.00 0.00 O ATOM 0 H ASP A 69 -5.885 3.164 3.957 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.092 1.302 1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.242 2.854 4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.250 2.077 3.098 1.00 0.00 H new ATOM 1093 N ASN A 70 -8.053 3.125 0.500 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.408 4.207 -0.466 1.00 0.00 C ATOM 1095 C ASN A 70 -7.138 4.925 -0.934 1.00 0.00 C ATOM 1096 O ASN A 70 -7.127 6.126 -1.120 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.359 5.207 0.197 1.00 0.00 C ATOM 1098 CG ASN A 70 -9.988 6.101 -0.874 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.314 5.641 -1.950 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.172 7.368 -0.624 1.00 0.00 N ATOM 0 H ASN A 70 -8.293 2.184 0.189 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.905 3.764 -1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.137 4.676 0.746 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.817 5.815 0.921 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.590 7.972 -1.332 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.898 7.755 0.279 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.074 4.195 -1.143 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.810 4.829 -1.616 1.00 0.00 C ATOM 1109 C ALA A 71 -4.969 5.219 -3.085 1.00 0.00 C ATOM 1110 O ALA A 71 -5.534 4.486 -3.867 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.653 3.839 -1.471 1.00 0.00 C ATOM 0 H ALA A 71 -6.027 3.185 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.598 5.716 -1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.730 4.305 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.546 3.556 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.857 2.950 -2.068 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.478 6.369 -3.466 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.611 6.815 -4.887 1.00 0.00 C ATOM 1119 C ARG A 72 -3.381 6.391 -5.690 1.00 0.00 C ATOM 1120 O ARG A 72 -2.254 6.572 -5.273 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.748 8.339 -4.914 1.00 0.00 C ATOM 1122 CG ARG A 72 -4.958 8.818 -6.351 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.155 10.336 -6.356 1.00 0.00 C ATOM 1124 NE ARG A 72 -6.442 10.667 -5.682 1.00 0.00 N ATOM 1125 CZ ARG A 72 -6.790 11.913 -5.500 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -6.011 12.880 -5.905 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -7.918 12.193 -4.906 1.00 0.00 N ATOM 0 H ARG A 72 -3.989 7.021 -2.853 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.492 6.354 -5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.588 8.648 -4.292 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.854 8.801 -4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.098 8.550 -6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.827 8.326 -6.787 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.326 10.824 -5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.160 10.710 -7.380 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.054 9.917 -5.361 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.127 12.664 -6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.287 13.851 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.526 11.440 -4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.191 13.165 -4.763 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.597 5.822 -6.846 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.457 5.373 -7.698 1.00 0.00 C ATOM 1143 C VAL A 73 -1.983 6.528 -8.581 1.00 0.00 C ATOM 1144 O VAL A 73 -2.772 7.198 -9.217 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.922 4.215 -8.578 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.717 3.585 -9.279 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -3.610 3.166 -7.703 1.00 0.00 C ATOM 0 H VAL A 73 -4.522 5.648 -7.240 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.632 5.049 -7.064 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.621 4.584 -9.329 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.052 2.759 -9.906 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.224 4.334 -9.898 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.016 3.212 -8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.945 2.336 -8.325 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.907 2.799 -6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.469 3.615 -7.204 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.696 6.767 -8.626 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.157 7.880 -9.468 1.00 0.00 C ATOM 1159 C ALA A 74 1.119 7.417 -10.170 1.00 0.00 C ATOM 1160 O ALA A 74 1.802 6.523 -9.712 1.00 0.00 O ATOM 1161 CB ALA A 74 0.168 9.078 -8.576 1.00 0.00 C ATOM 0 H ALA A 74 0.008 6.236 -8.113 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.901 8.165 -10.212 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.561 9.891 -9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.738 9.411 -8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.913 8.788 -7.835 1.00 0.00 H new ATOM 1167 N GLN A 75 1.443 8.029 -11.284 1.00 0.00 N ATOM 1168 CA GLN A 75 2.678 7.648 -12.040 1.00 0.00 C ATOM 1169 C GLN A 75 3.590 8.866 -12.153 1.00 0.00 C ATOM 1170 O GLN A 75 3.216 9.882 -12.703 1.00 0.00 O ATOM 1171 CB GLN A 75 2.293 7.171 -13.442 1.00 0.00 C ATOM 1172 CG GLN A 75 3.555 6.759 -14.202 1.00 0.00 C ATOM 1173 CD GLN A 75 3.169 6.158 -15.553 1.00 0.00 C ATOM 1174 OE1 GLN A 75 2.336 6.695 -16.255 1.00 0.00 O ATOM 1175 NE2 GLN A 75 3.746 5.057 -15.950 1.00 0.00 N ATOM 0 H GLN A 75 0.900 8.783 -11.705 1.00 0.00 H new ATOM 0 HA GLN A 75 3.196 6.846 -11.515 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.604 6.329 -13.375 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.775 7.965 -13.979 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.201 7.624 -14.349 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.122 6.033 -13.619 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.446 4.606 -15.360 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.498 4.647 -16.850 1.00 0.00 H new ATOM 1184 N PHE A 76 4.788 8.767 -11.633 1.00 0.00 N ATOM 1185 CA PHE A 76 5.752 9.911 -11.697 1.00 0.00 C ATOM 1186 C PHE A 76 7.042 9.457 -12.380 1.00 0.00 C ATOM 1187 O PHE A 76 7.594 8.420 -12.069 1.00 0.00 O ATOM 1188 CB PHE A 76 6.057 10.392 -10.277 1.00 0.00 C ATOM 1189 CG PHE A 76 4.855 11.130 -9.736 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.605 12.446 -10.142 1.00 0.00 C ATOM 1191 CD2 PHE A 76 3.988 10.499 -8.835 1.00 0.00 C ATOM 1192 CE1 PHE A 76 3.490 13.131 -9.649 1.00 0.00 C ATOM 1193 CE2 PHE A 76 2.872 11.185 -8.341 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.623 12.502 -8.748 1.00 0.00 C ATOM 0 H PHE A 76 5.144 7.935 -11.162 1.00 0.00 H new ATOM 0 HA PHE A 76 5.315 10.728 -12.271 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.297 9.544 -9.636 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.929 11.046 -10.281 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.274 12.933 -10.837 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.180 9.484 -8.521 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.298 14.146 -9.964 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.203 10.699 -7.646 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.763 13.032 -8.367 1.00 0.00 H new ATOM 1204 N ASN A 77 7.516 10.234 -13.315 1.00 0.00 N ATOM 1205 CA ASN A 77 8.766 9.882 -14.045 1.00 0.00 C ATOM 1206 C ASN A 77 8.625 8.493 -14.676 1.00 0.00 C ATOM 1207 O ASN A 77 9.586 7.765 -14.826 1.00 0.00 O ATOM 1208 CB ASN A 77 9.957 9.909 -13.082 1.00 0.00 C ATOM 1209 CG ASN A 77 10.260 11.361 -12.704 1.00 0.00 C ATOM 1210 OD1 ASN A 77 9.842 12.276 -13.387 1.00 0.00 O ATOM 1211 ND2 ASN A 77 10.970 11.614 -11.639 1.00 0.00 N ATOM 0 H ASN A 77 7.084 11.110 -13.608 1.00 0.00 H new ATOM 0 HA ASN A 77 8.938 10.612 -14.836 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.732 9.327 -12.189 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.829 9.452 -13.549 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.174 12.579 -11.380 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.321 10.847 -11.066 1.00 0.00 H new ATOM 1218 N GLY A 78 7.431 8.134 -15.067 1.00 0.00 N ATOM 1219 CA GLY A 78 7.218 6.806 -15.712 1.00 0.00 C ATOM 1220 C GLY A 78 7.229 5.695 -14.660 1.00 0.00 C ATOM 1221 O GLY A 78 7.165 4.527 -14.988 1.00 0.00 O ATOM 0 H GLY A 78 6.592 8.705 -14.967 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.267 6.802 -16.245 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.998 6.624 -16.451 1.00 0.00 H new ATOM 1225 N TYR A 79 7.314 6.047 -13.399 1.00 0.00 N ATOM 1226 CA TYR A 79 7.334 5.013 -12.313 1.00 0.00 C ATOM 1227 C TYR A 79 6.051 5.106 -11.484 1.00 0.00 C ATOM 1228 O TYR A 79 5.588 6.176 -11.144 1.00 0.00 O ATOM 1229 CB TYR A 79 8.553 5.246 -11.420 1.00 0.00 C ATOM 1230 CG TYR A 79 9.801 4.879 -12.187 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.161 3.534 -12.327 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.593 5.879 -12.765 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.314 3.186 -13.041 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.747 5.532 -13.480 1.00 0.00 C ATOM 1235 CZ TYR A 79 12.106 4.185 -13.617 1.00 0.00 C ATOM 1236 OH TYR A 79 13.242 3.843 -14.322 1.00 0.00 O ATOM 0 H TYR A 79 7.371 7.012 -13.073 1.00 0.00 H new ATOM 0 HA TYR A 79 7.394 4.019 -12.755 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.597 6.289 -11.107 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.477 4.644 -10.514 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.548 2.763 -11.884 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.314 6.917 -12.660 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.592 2.148 -13.147 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.359 6.302 -13.925 1.00 0.00 H new ATOM 0 HH TYR A 79 13.676 4.655 -14.657 1.00 0.00 H new ATOM 1246 N LEU A 80 5.467 3.979 -11.177 1.00 0.00 N ATOM 1247 CA LEU A 80 4.200 3.969 -10.392 1.00 0.00 C ATOM 1248 C LEU A 80 4.476 4.243 -8.914 1.00 0.00 C ATOM 1249 O LEU A 80 5.506 3.884 -8.380 1.00 0.00 O ATOM 1250 CB LEU A 80 3.534 2.599 -10.532 1.00 0.00 C ATOM 1251 CG LEU A 80 3.213 2.319 -12.006 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.614 0.915 -12.129 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.208 3.360 -12.540 1.00 0.00 C ATOM 0 H LEU A 80 5.817 3.057 -11.439 1.00 0.00 H new ATOM 0 HA LEU A 80 3.544 4.750 -10.776 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.193 1.824 -10.141 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.619 2.568 -9.940 1.00 0.00 H new ATOM 0 HG LEU A 80 4.129 2.384 -12.593 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.383 0.708 -13.174 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.331 0.180 -11.764 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.701 0.856 -11.537 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.989 3.150 -13.587 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.287 3.308 -11.959 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.637 4.358 -12.452 1.00 0.00 H new ATOM 1265 N SER A 81 3.543 4.873 -8.250 1.00 0.00 N ATOM 1266 CA SER A 81 3.714 5.176 -6.802 1.00 0.00 C ATOM 1267 C SER A 81 2.336 5.350 -6.163 1.00 0.00 C ATOM 1268 O SER A 81 1.376 5.697 -6.823 1.00 0.00 O ATOM 1269 CB SER A 81 4.521 6.462 -6.633 1.00 0.00 C ATOM 1270 OG SER A 81 4.578 6.799 -5.252 1.00 0.00 O ATOM 0 H SER A 81 2.663 5.193 -8.654 1.00 0.00 H new ATOM 0 HA SER A 81 4.246 4.356 -6.318 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.528 6.329 -7.029 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.060 7.272 -7.199 1.00 0.00 H new ATOM 0 HG SER A 81 4.707 5.985 -4.722 1.00 0.00 H new ATOM 1276 N LEU A 82 2.228 5.114 -4.881 1.00 0.00 N ATOM 1277 CA LEU A 82 0.908 5.262 -4.193 1.00 0.00 C ATOM 1278 C LEU A 82 0.868 6.601 -3.461 1.00 0.00 C ATOM 1279 O LEU A 82 1.745 6.925 -2.684 1.00 0.00 O ATOM 1280 CB LEU A 82 0.728 4.130 -3.180 1.00 0.00 C ATOM 1281 CG LEU A 82 0.804 2.773 -3.891 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.641 1.655 -2.857 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.312 2.665 -4.947 1.00 0.00 C ATOM 0 H LEU A 82 2.998 4.824 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 82 0.108 5.221 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.500 4.191 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.233 4.232 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 82 1.770 2.680 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.694 0.687 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.438 1.725 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.325 1.755 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.249 1.698 -5.446 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.283 2.760 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.195 3.461 -5.683 1.00 0.00 H new ATOM 1295 N SER A 83 -0.153 7.378 -3.709 1.00 0.00 N ATOM 1296 CA SER A 83 -0.283 8.710 -3.044 1.00 0.00 C ATOM 1297 C SER A 83 -1.370 8.637 -1.972 1.00 0.00 C ATOM 1298 O SER A 83 -2.502 8.282 -2.239 1.00 0.00 O ATOM 1299 CB SER A 83 -0.664 9.754 -4.093 1.00 0.00 C ATOM 1300 OG SER A 83 0.478 10.060 -4.884 1.00 0.00 O ATOM 0 H SER A 83 -0.911 7.145 -4.351 1.00 0.00 H new ATOM 0 HA SER A 83 0.663 8.987 -2.578 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.468 9.376 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.037 10.656 -3.607 1.00 0.00 H new ATOM 0 HG SER A 83 1.282 10.026 -4.325 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.034 8.976 -0.755 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.040 8.933 0.347 1.00 0.00 C ATOM 1308 C VAL A 84 -2.619 10.335 0.545 1.00 0.00 C ATOM 1309 O VAL A 84 -1.932 11.255 0.958 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.349 8.465 1.631 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.395 8.157 2.698 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.533 7.205 1.333 1.00 0.00 C ATOM 0 H VAL A 84 -0.102 9.282 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.846 8.242 0.099 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.689 9.252 1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.898 7.824 3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.976 9.055 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.060 7.371 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.039 6.868 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.196 6.420 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.217 7.428 0.575 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.880 10.501 0.231 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.536 11.837 0.364 1.00 0.00 C ATOM 1324 C GLY A 85 -5.149 12.005 1.756 1.00 0.00 C ATOM 1325 O GLY A 85 -5.104 11.121 2.587 1.00 0.00 O ATOM 0 H GLY A 85 -4.489 9.759 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.805 12.626 0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.311 11.944 -0.395 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.726 13.150 2.004 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.353 13.416 3.330 1.00 0.00 C ATOM 1331 C ASP A 86 -7.633 12.591 3.486 1.00 0.00 C ATOM 1332 O ASP A 86 -8.099 12.354 4.583 1.00 0.00 O ATOM 1333 CB ASP A 86 -6.698 14.903 3.422 1.00 0.00 C ATOM 1334 CG ASP A 86 -5.411 15.720 3.534 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -4.377 15.126 3.795 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -5.479 16.924 3.356 1.00 0.00 O ATOM 0 H ASP A 86 -5.790 13.920 1.338 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.656 13.139 4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.261 15.211 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.334 15.087 4.288 1.00 0.00 H new ATOM 1341 N SER A 87 -8.210 12.157 2.399 1.00 0.00 N ATOM 1342 CA SER A 87 -9.465 11.353 2.487 1.00 0.00 C ATOM 1343 C SER A 87 -9.108 9.881 2.693 1.00 0.00 C ATOM 1344 O SER A 87 -9.967 9.045 2.890 1.00 0.00 O ATOM 1345 CB SER A 87 -10.254 11.506 1.187 1.00 0.00 C ATOM 1346 OG SER A 87 -9.533 10.892 0.126 1.00 0.00 O ATOM 0 H SER A 87 -7.868 12.324 1.453 1.00 0.00 H new ATOM 0 HA SER A 87 -10.068 11.704 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.237 11.046 1.288 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.417 12.561 0.969 1.00 0.00 H new ATOM 0 HG SER A 87 -10.037 10.986 -0.709 1.00 0.00 H new ATOM 1352 N SER A 88 -7.846 9.561 2.647 1.00 0.00 N ATOM 1353 CA SER A 88 -7.425 8.146 2.835 1.00 0.00 C ATOM 1354 C SER A 88 -7.434 7.795 4.319 1.00 0.00 C ATOM 1355 O SER A 88 -7.528 8.656 5.170 1.00 0.00 O ATOM 1356 CB SER A 88 -6.014 7.958 2.287 1.00 0.00 C ATOM 1357 OG SER A 88 -5.078 8.372 3.271 1.00 0.00 O ATOM 0 H SER A 88 -7.085 10.221 2.487 1.00 0.00 H new ATOM 0 HA SER A 88 -8.119 7.495 2.303 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.848 6.913 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.884 8.540 1.375 1.00 0.00 H new ATOM 0 HG SER A 88 -5.009 9.350 3.266 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.331 6.527 4.630 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.325 6.092 6.063 1.00 0.00 C ATOM 1365 C ARG A 89 -6.164 5.130 6.296 1.00 0.00 C ATOM 1366 O ARG A 89 -5.847 4.307 5.462 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.645 5.395 6.383 1.00 0.00 C ATOM 1368 CG ARG A 89 -9.768 6.431 6.385 1.00 0.00 C ATOM 1369 CD ARG A 89 -11.110 5.729 6.589 1.00 0.00 C ATOM 1370 NE ARG A 89 -11.134 5.080 7.934 1.00 0.00 N ATOM 1371 CZ ARG A 89 -11.836 3.993 8.138 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -12.527 3.460 7.166 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -11.848 3.441 9.321 1.00 0.00 N ATOM 0 H ARG A 89 -7.250 5.770 3.951 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.208 6.960 6.711 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.850 4.620 5.645 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.585 4.903 7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.603 7.160 7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.772 6.980 5.443 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.925 6.448 6.506 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.264 4.982 5.810 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.599 5.487 8.701 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.522 3.890 6.241 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.071 2.614 7.332 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.312 3.856 10.083 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.394 2.595 9.483 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.527 5.236 7.435 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.373 4.342 7.759 1.00 0.00 C ATOM 1389 C ILE A 90 -4.661 3.600 9.062 1.00 0.00 C ATOM 1390 O ILE A 90 -5.047 4.192 10.051 1.00 0.00 O ATOM 1391 CB ILE A 90 -3.112 5.189 7.915 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.773 5.829 6.567 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -1.952 4.304 8.370 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.671 6.872 6.753 1.00 0.00 C ATOM 0 H ILE A 90 -5.760 5.912 8.163 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.227 3.618 6.957 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.280 5.967 8.660 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.447 5.064 5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.661 6.297 6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.053 4.911 8.481 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.199 3.844 9.327 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.775 3.526 7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.433 7.325 5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.013 7.644 7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.780 6.392 7.158 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.476 2.304 9.065 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.734 1.493 10.295 1.00 0.00 C ATOM 1408 C GLU A 91 -3.480 0.694 10.650 1.00 0.00 C ATOM 1409 O GLU A 91 -2.802 0.159 9.793 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.902 0.542 10.036 1.00 0.00 C ATOM 1411 CG GLU A 91 -7.191 1.358 9.905 1.00 0.00 C ATOM 1412 CD GLU A 91 -8.359 0.425 9.582 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -8.130 -0.770 9.498 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -9.461 0.922 9.428 1.00 0.00 O ATOM 0 H GLU A 91 -4.154 1.767 8.260 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.984 2.152 11.126 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.726 -0.032 9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.992 -0.175 10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.388 1.896 10.832 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.082 2.106 9.119 1.00 0.00 H new ATOM 1421 N SER A 92 -3.163 0.628 11.912 1.00 0.00 N ATOM 1422 CA SER A 92 -1.948 -0.114 12.352 1.00 0.00 C ATOM 1423 C SER A 92 -2.159 -1.619 12.179 1.00 0.00 C ATOM 1424 O SER A 92 -3.265 -2.114 12.268 1.00 0.00 O ATOM 1425 CB SER A 92 -1.682 0.197 13.825 1.00 0.00 C ATOM 1426 OG SER A 92 -1.096 1.487 13.930 1.00 0.00 O ATOM 0 H SER A 92 -3.698 1.060 12.665 1.00 0.00 H new ATOM 0 HA SER A 92 -1.097 0.195 11.746 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.613 0.160 14.391 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.018 -0.554 14.254 1.00 0.00 H new ATOM 0 HG SER A 92 -0.925 1.693 14.873 1.00 0.00 H new ATOM 1432 N VAL A 93 -1.095 -2.347 11.935 1.00 0.00 N ATOM 1433 CA VAL A 93 -1.204 -3.827 11.753 1.00 0.00 C ATOM 1434 C VAL A 93 -0.489 -4.537 12.908 1.00 0.00 C ATOM 1435 O VAL A 93 0.623 -4.205 13.269 1.00 0.00 O ATOM 1436 CB VAL A 93 -0.554 -4.220 10.422 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -0.406 -5.743 10.344 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -1.438 -3.735 9.272 1.00 0.00 C ATOM 0 H VAL A 93 -0.149 -1.975 11.854 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.253 -4.121 11.746 1.00 0.00 H new ATOM 0 HB VAL A 93 0.432 -3.762 10.350 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.057 -6.015 9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.220 -6.090 11.166 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.389 -6.208 10.415 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.982 -4.011 8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.422 -4.197 9.350 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.541 -2.651 9.324 1.00 0.00 H new ATOM 1448 N ASN A 94 -1.132 -5.515 13.480 1.00 0.00 N ATOM 1449 CA ASN A 94 -0.526 -6.275 14.608 1.00 0.00 C ATOM 1450 C ASN A 94 0.023 -5.316 15.668 1.00 0.00 C ATOM 1451 O ASN A 94 -0.712 -4.563 16.278 1.00 0.00 O ATOM 1452 CB ASN A 94 0.620 -7.142 14.085 1.00 0.00 C ATOM 1453 CG ASN A 94 0.065 -8.253 13.196 1.00 0.00 C ATOM 1454 OD1 ASN A 94 -1.107 -8.572 13.255 1.00 0.00 O ATOM 1455 ND2 ASN A 94 0.867 -8.862 12.366 1.00 0.00 N ATOM 0 H ASN A 94 -2.066 -5.825 13.210 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.297 -6.902 15.056 1.00 0.00 H new ATOM 0 HB2 ASN A 94 1.323 -6.529 13.521 1.00 0.00 H new ATOM 0 HB3 ASN A 94 1.172 -7.574 14.920 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.511 -9.606 11.766 1.00 0.00 H new ATOM 0 HD22 ASN A 94 1.850 -8.594 12.317 1.00 0.00 H new ATOM 1462 N VAL A 95 1.310 -5.366 15.911 1.00 0.00 N ATOM 1463 CA VAL A 95 1.929 -4.490 16.949 1.00 0.00 C ATOM 1464 C VAL A 95 1.219 -4.708 18.291 1.00 0.00 C ATOM 1465 O VAL A 95 1.562 -4.110 19.290 1.00 0.00 O ATOM 1466 CB VAL A 95 1.811 -3.017 16.530 1.00 0.00 C ATOM 1467 CG1 VAL A 95 2.319 -2.112 17.666 1.00 0.00 C ATOM 1468 CG2 VAL A 95 2.646 -2.780 15.263 1.00 0.00 C ATOM 0 H VAL A 95 1.963 -5.983 15.428 1.00 0.00 H new ATOM 0 HA VAL A 95 2.984 -4.744 17.052 1.00 0.00 H new ATOM 0 HB VAL A 95 0.767 -2.779 16.326 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.234 -1.068 17.365 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.721 -2.282 18.561 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.363 -2.345 17.877 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.564 -1.735 14.963 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.690 -3.019 15.465 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.277 -3.418 14.460 1.00 0.00 H new ATOM 1478 N ASN A 96 0.233 -5.565 18.320 1.00 0.00 N ATOM 1479 CA ASN A 96 -0.504 -5.826 19.585 1.00 0.00 C ATOM 1480 C ASN A 96 0.311 -6.756 20.485 1.00 0.00 C ATOM 1481 O ASN A 96 1.365 -7.234 20.116 1.00 0.00 O ATOM 1482 CB ASN A 96 -1.841 -6.492 19.259 1.00 0.00 C ATOM 1483 CG ASN A 96 -2.721 -5.519 18.474 1.00 0.00 C ATOM 1484 OD1 ASN A 96 -2.786 -4.271 18.849 1.00 0.00 O flip ATOM 1485 ND2 ASN A 96 -3.358 -5.898 17.512 1.00 0.00 N flip ATOM 0 H ASN A 96 -0.094 -6.098 17.514 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.672 -4.881 20.102 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.675 -7.398 18.677 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.343 -6.791 20.179 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.307 -6.874 17.219 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -3.944 -5.241 16.997 1.00 0.00 H new ATOM 1492 N ILE A 97 -0.184 -7.016 21.669 1.00 0.00 N ATOM 1493 CA ILE A 97 0.531 -7.916 22.624 1.00 0.00 C ATOM 1494 C ILE A 97 -0.485 -8.876 23.261 1.00 0.00 C ATOM 1495 O ILE A 97 -0.702 -8.859 24.458 1.00 0.00 O ATOM 1496 CB ILE A 97 1.189 -7.064 23.715 1.00 0.00 C ATOM 1497 CG1 ILE A 97 0.196 -6.006 24.206 1.00 0.00 C ATOM 1498 CG2 ILE A 97 2.426 -6.367 23.141 1.00 0.00 C ATOM 1499 CD1 ILE A 97 0.757 -5.315 25.453 1.00 0.00 C ATOM 0 H ILE A 97 -1.064 -6.638 22.018 1.00 0.00 H new ATOM 0 HA ILE A 97 1.295 -8.490 22.100 1.00 0.00 H new ATOM 0 HB ILE A 97 1.482 -7.705 24.547 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.014 -5.271 23.422 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.763 -6.471 24.436 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.895 -5.761 23.916 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.135 -7.116 22.788 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.130 -5.727 22.310 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.050 -4.562 25.801 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.916 -6.054 26.238 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.705 -4.836 25.208 1.00 0.00 H new ATOM 1511 N PRO A 98 -1.107 -9.708 22.454 1.00 0.00 N ATOM 1512 CA PRO A 98 -2.132 -10.694 22.925 1.00 0.00 C ATOM 1513 C PRO A 98 -1.482 -11.886 23.616 1.00 0.00 C ATOM 1514 O PRO A 98 -2.137 -12.765 24.134 1.00 0.00 O ATOM 1515 CB PRO A 98 -2.816 -11.155 21.628 1.00 0.00 C ATOM 1516 CG PRO A 98 -1.786 -10.964 20.554 1.00 0.00 C ATOM 1517 CD PRO A 98 -0.890 -9.801 21.001 1.00 0.00 C ATOM 0 HA PRO A 98 -2.818 -10.257 23.651 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -3.127 -12.198 21.695 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -3.712 -10.568 21.424 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -1.200 -11.872 20.415 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -2.261 -10.741 19.598 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.157 -9.994 20.767 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -1.163 -8.873 20.498 1.00 0.00 H new ATOM 1525 N LEU A 99 -0.193 -11.932 23.590 1.00 0.00 N ATOM 1526 CA LEU A 99 0.526 -13.073 24.205 1.00 0.00 C ATOM 1527 C LEU A 99 -0.036 -13.394 25.604 1.00 0.00 C ATOM 1528 O LEU A 99 -0.875 -14.253 25.739 1.00 0.00 O ATOM 1529 CB LEU A 99 2.011 -12.722 24.288 1.00 0.00 C ATOM 1530 CG LEU A 99 2.849 -14.003 24.575 1.00 0.00 C ATOM 1531 CD1 LEU A 99 3.464 -14.533 23.277 1.00 0.00 C ATOM 1532 CD2 LEU A 99 3.974 -13.683 25.579 1.00 0.00 C ATOM 0 H LEU A 99 0.405 -11.223 23.166 1.00 0.00 H new ATOM 0 HA LEU A 99 0.389 -13.962 23.590 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.338 -12.266 23.353 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.175 -11.987 25.076 1.00 0.00 H new ATOM 0 HG LEU A 99 2.190 -14.762 24.997 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.048 -15.429 23.490 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.670 -14.777 22.571 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.113 -13.772 22.844 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.555 -14.584 25.774 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.625 -12.914 25.163 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.538 -13.324 26.511 1.00 0.00 H new ATOM 1544 N GLU A 100 0.406 -12.724 26.649 1.00 0.00 N ATOM 1545 CA GLU A 100 -0.140 -13.025 28.020 1.00 0.00 C ATOM 1546 C GLU A 100 -0.278 -14.539 28.226 1.00 0.00 C ATOM 1547 O GLU A 100 -1.280 -15.138 27.881 1.00 0.00 O ATOM 1548 CB GLU A 100 -1.513 -12.366 28.169 1.00 0.00 C ATOM 1549 CG GLU A 100 -2.030 -12.571 29.594 1.00 0.00 C ATOM 1550 CD GLU A 100 -3.360 -11.838 29.765 1.00 0.00 C ATOM 1551 OE1 GLU A 100 -3.678 -11.023 28.914 1.00 0.00 O ATOM 1552 OE2 GLU A 100 -4.039 -12.097 30.746 1.00 0.00 O ATOM 0 H GLU A 100 1.113 -11.990 26.614 1.00 0.00 H new ATOM 0 HA GLU A 100 0.549 -12.632 28.768 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.442 -11.301 27.947 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.213 -12.795 27.452 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.160 -13.634 29.795 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.302 -12.197 30.314 1.00 0.00 H new ATOM 1559 N HIS A 101 0.715 -15.155 28.799 1.00 0.00 N ATOM 1560 CA HIS A 101 0.658 -16.626 29.043 1.00 0.00 C ATOM 1561 C HIS A 101 -0.450 -16.940 30.051 1.00 0.00 C ATOM 1562 O HIS A 101 -1.100 -17.965 29.977 1.00 0.00 O ATOM 1563 CB HIS A 101 2.001 -17.087 29.610 1.00 0.00 C ATOM 1564 CG HIS A 101 3.056 -16.990 28.542 1.00 0.00 C ATOM 1565 ND1 HIS A 101 3.163 -17.924 27.524 1.00 0.00 N ATOM 1566 CD2 HIS A 101 4.059 -16.078 28.321 1.00 0.00 C ATOM 1567 CE1 HIS A 101 4.198 -17.559 26.746 1.00 0.00 C ATOM 1568 NE2 HIS A 101 4.779 -16.441 27.187 1.00 0.00 N ATOM 0 H HIS A 101 1.573 -14.701 29.113 1.00 0.00 H new ATOM 0 HA HIS A 101 0.450 -17.144 28.107 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.277 -16.471 30.466 1.00 0.00 H new ATOM 0 HB3 HIS A 101 1.924 -18.114 29.968 1.00 0.00 H new ATOM 0 HD1 HIS A 101 2.566 -18.740 27.389 1.00 0.00 H new ATOM 0 HD2 HIS A 101 4.258 -15.211 28.934 1.00 0.00 H new ATOM 0 HE1 HIS A 101 4.520 -18.104 25.871 1.00 0.00 H new ATOM 1576 N HIS A 102 -0.656 -16.073 31.002 1.00 0.00 N ATOM 1577 CA HIS A 102 -1.705 -16.320 32.030 1.00 0.00 C ATOM 1578 C HIS A 102 -3.089 -16.329 31.383 1.00 0.00 C ATOM 1579 O HIS A 102 -3.357 -15.597 30.450 1.00 0.00 O ATOM 1580 CB HIS A 102 -1.642 -15.217 33.085 1.00 0.00 C ATOM 1581 CG HIS A 102 -0.290 -15.239 33.741 1.00 0.00 C ATOM 1582 ND1 HIS A 102 0.065 -16.207 34.666 1.00 0.00 N ATOM 1583 CD2 HIS A 102 0.807 -14.423 33.611 1.00 0.00 C ATOM 1584 CE1 HIS A 102 1.328 -15.952 35.054 1.00 0.00 C ATOM 1585 NE2 HIS A 102 1.827 -14.875 34.441 1.00 0.00 N ATOM 0 H HIS A 102 -0.141 -15.200 31.112 1.00 0.00 H new ATOM 0 HA HIS A 102 -1.529 -17.290 32.495 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -1.820 -14.245 32.624 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.424 -15.365 33.830 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.868 -13.561 32.963 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.872 -16.546 35.774 1.00 0.00 H new ATOM 0 HE2 HIS A 102 2.756 -14.471 34.557 1.00 0.00 H new ATOM 1593 N HIS A 103 -3.971 -17.161 31.879 1.00 0.00 N ATOM 1594 CA HIS A 103 -5.353 -17.247 31.312 1.00 0.00 C ATOM 1595 C HIS A 103 -6.378 -17.194 32.443 1.00 0.00 C ATOM 1596 O HIS A 103 -6.143 -17.676 33.535 1.00 0.00 O ATOM 1597 CB HIS A 103 -5.506 -18.570 30.559 1.00 0.00 C ATOM 1598 CG HIS A 103 -4.555 -18.593 29.398 1.00 0.00 C ATOM 1599 ND1 HIS A 103 -4.778 -17.855 28.248 1.00 0.00 N ATOM 1600 CD2 HIS A 103 -3.372 -19.258 29.193 1.00 0.00 C ATOM 1601 CE1 HIS A 103 -3.753 -18.090 27.409 1.00 0.00 C ATOM 1602 NE2 HIS A 103 -2.867 -18.939 27.937 1.00 0.00 N ATOM 0 H HIS A 103 -3.791 -17.791 32.661 1.00 0.00 H new ATOM 0 HA HIS A 103 -5.518 -16.411 30.633 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.303 -19.407 31.227 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.531 -18.685 30.207 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -2.904 -19.927 29.900 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.658 -17.647 26.429 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.005 -19.280 27.511 1.00 0.00 H new ATOM 1610 N HIS A 104 -7.517 -16.616 32.185 1.00 0.00 N ATOM 1611 CA HIS A 104 -8.574 -16.528 33.233 1.00 0.00 C ATOM 1612 C HIS A 104 -9.944 -16.444 32.556 1.00 0.00 C ATOM 1613 O HIS A 104 -10.528 -15.386 32.433 1.00 0.00 O ATOM 1614 CB HIS A 104 -8.341 -15.286 34.092 1.00 0.00 C ATOM 1615 CG HIS A 104 -9.312 -15.284 35.239 1.00 0.00 C ATOM 1616 ND1 HIS A 104 -10.605 -14.800 35.111 1.00 0.00 N ATOM 1617 CD2 HIS A 104 -9.199 -15.708 36.541 1.00 0.00 C ATOM 1618 CE1 HIS A 104 -11.211 -14.944 36.303 1.00 0.00 C ATOM 1619 NE2 HIS A 104 -10.400 -15.493 37.210 1.00 0.00 N ATOM 0 H HIS A 104 -7.764 -16.198 31.288 1.00 0.00 H new ATOM 0 HA HIS A 104 -8.537 -17.412 33.870 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -7.318 -15.276 34.467 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -8.469 -14.385 33.491 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -11.021 -14.407 34.267 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -8.312 -16.142 36.979 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -12.231 -14.651 36.502 1.00 0.00 H new ATOM 1627 N HIS A 105 -10.456 -17.561 32.118 1.00 0.00 N ATOM 1628 CA HIS A 105 -11.787 -17.579 31.450 1.00 0.00 C ATOM 1629 C HIS A 105 -12.176 -19.032 31.172 1.00 0.00 C ATOM 1630 O HIS A 105 -12.759 -19.351 30.154 1.00 0.00 O ATOM 1631 CB HIS A 105 -11.728 -16.789 30.137 1.00 0.00 C ATOM 1632 CG HIS A 105 -10.588 -17.283 29.290 1.00 0.00 C ATOM 1633 ND1 HIS A 105 -9.306 -16.772 29.407 1.00 0.00 N ATOM 1634 CD2 HIS A 105 -10.525 -18.233 28.302 1.00 0.00 C ATOM 1635 CE1 HIS A 105 -8.531 -17.411 28.511 1.00 0.00 C ATOM 1636 NE2 HIS A 105 -9.225 -18.313 27.811 1.00 0.00 N ATOM 0 H HIS A 105 -10.003 -18.472 32.196 1.00 0.00 H new ATOM 0 HA HIS A 105 -12.531 -17.115 32.097 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -12.668 -16.897 29.595 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -11.602 -15.727 30.347 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -11.358 -18.828 27.958 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -7.477 -17.218 28.375 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -8.877 -18.928 27.075 1.00 0.00 H new ATOM 1644 N HIS A 106 -11.851 -19.915 32.082 1.00 0.00 N ATOM 1645 CA HIS A 106 -12.190 -21.356 31.902 1.00 0.00 C ATOM 1646 C HIS A 106 -11.617 -21.866 30.578 1.00 0.00 C ATOM 1647 O HIS A 106 -12.323 -21.807 29.586 1.00 0.00 O ATOM 1648 CB HIS A 106 -13.711 -21.526 31.905 1.00 0.00 C ATOM 1649 CG HIS A 106 -14.055 -22.989 31.878 1.00 0.00 C ATOM 1650 ND1 HIS A 106 -14.142 -23.705 30.694 1.00 0.00 N ATOM 1651 CD2 HIS A 106 -14.342 -23.884 32.879 1.00 0.00 C ATOM 1652 CE1 HIS A 106 -14.468 -24.971 31.009 1.00 0.00 C ATOM 1653 NE2 HIS A 106 -14.602 -25.135 32.328 1.00 0.00 N ATOM 1654 OXT HIS A 106 -10.480 -22.312 30.580 1.00 0.00 O ATOM 0 H HIS A 106 -11.361 -19.695 32.949 1.00 0.00 H new ATOM 0 HA HIS A 106 -11.758 -21.931 32.721 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -14.138 -21.058 32.792 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.145 -21.024 31.040 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -13.987 -23.338 29.755 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -14.363 -23.652 33.934 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.605 -25.759 30.284 1.00 0.00 H new TER 1662 HIS A 106