USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 967 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 130 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 131 LYS NZ :NH3+ -132:sc= -0.0565 (180deg=-1.44!) USER MOD Set 2.1: A 11 SER OG : rot -58:sc= 0.121 USER MOD Set 2.2: A 76 CYS SG : rot 13:sc= -0.354! USER MOD Set 3.1: A 40 MET CE :methyl 169:sc= -4.92! (180deg=-6.37!) USER MOD Set 3.2: A 64 TYR OH : rot -28:sc= -0.0549 USER MOD Single : A 4 TYR OH : rot 131:sc= 0.0937 USER MOD Single : A 5 TYR OH : rot 0:sc= -4.72 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 9:sc= -3.7! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.18) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -1.08 USER MOD Single : A 38 GLN : amide:sc= -0.0512 X(o=-0.051,f=0.4) USER MOD Single : A 41 THR OG1 : rot -58:sc= 0.55 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -70:sc= 0.989 USER MOD Single : A 51 THR OG1 : rot 74:sc= -4.91! USER MOD Single : A 57 GLN : amide:sc= -0.109 K(o=-0.11,f=0.39) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.103 K(o=-0.1,f=-0.64) USER MOD Single : A 67 HIS : no HD1:sc= -5.21! C(o=-5.2!,f=-5.6!) USER MOD Single : A 69 TYR OH : rot 149:sc= 0.897 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 158:sc= -2.07! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.952 K(o=-0.95,f=-3.2!) USER MOD Single : A 85 TYR OH : rot 63:sc= -1.18! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.00162 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 0:sc= -0.709 USER MOD Single : A 105 HIS : no HD1:sc= -6.03! K(o=-6!,f=-2.9) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -3.75 K(o=-3.7,f=-9!) USER MOD Single : A 127 THR OG1 : rot 63:sc= 1.14 USER MOD Single : A 128 TYR OH : rot 0:sc= -1.14 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -1.71 K(o=-1.7,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -10.650 9.856 2.550 1.00 0.00 N ATOM 21 CA ARG A 2 -9.318 9.598 3.087 1.00 0.00 C ATOM 22 C ARG A 2 -8.785 8.255 2.602 1.00 0.00 C ATOM 23 O ARG A 2 -9.389 7.606 1.749 1.00 0.00 O ATOM 24 CB ARG A 2 -9.340 9.635 4.617 1.00 0.00 C ATOM 25 CG ARG A 2 -10.052 10.853 5.184 1.00 0.00 C ATOM 26 CD ARG A 2 -9.437 12.146 4.672 1.00 0.00 C ATOM 27 NE ARG A 2 -10.128 12.654 3.490 1.00 0.00 N ATOM 28 CZ ARG A 2 -11.253 13.364 3.536 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.822 13.647 4.701 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.811 13.793 2.411 1.00 0.00 N ATOM 0 HA ARG A 2 -8.652 10.382 2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -9.828 8.734 4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.315 9.618 4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.107 10.818 4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.002 10.831 6.273 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.468 12.898 5.460 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.387 11.977 4.433 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.725 12.453 2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.397 13.320 5.569 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.684 14.192 4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.378 13.579 1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.673 14.337 2.445 1.00 0.00 H new ATOM 44 N ILE A 3 -7.646 7.845 3.148 1.00 0.00 N ATOM 45 CA ILE A 3 -7.025 6.583 2.766 1.00 0.00 C ATOM 46 C ILE A 3 -7.904 5.397 3.149 1.00 0.00 C ATOM 47 O ILE A 3 -8.583 5.420 4.175 1.00 0.00 O ATOM 48 CB ILE A 3 -5.636 6.435 3.415 1.00 0.00 C ATOM 49 CG1 ILE A 3 -4.939 5.172 2.932 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.755 6.420 4.929 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.437 5.273 3.026 1.00 0.00 C ATOM 0 H ILE A 3 -7.134 8.369 3.857 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.908 6.592 1.682 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.034 7.293 3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.281 4.323 3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.223 4.976 1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.764 6.315 5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.206 7.353 5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.380 5.582 5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.987 4.346 2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.089 6.105 2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.148 5.441 4.063 1.00 0.00 H new ATOM 63 N TYR A 4 -7.895 4.365 2.307 1.00 0.00 N ATOM 64 CA TYR A 4 -8.705 3.178 2.551 1.00 0.00 C ATOM 65 C TYR A 4 -7.848 1.927 2.713 1.00 0.00 C ATOM 66 O TYR A 4 -8.147 1.074 3.547 1.00 0.00 O ATOM 67 CB TYR A 4 -9.700 2.970 1.409 1.00 0.00 C ATOM 68 CG TYR A 4 -10.752 4.052 1.314 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.338 4.583 2.457 1.00 0.00 C ATOM 70 CD2 TYR A 4 -11.160 4.539 0.080 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.300 5.571 2.370 1.00 0.00 C ATOM 72 CE2 TYR A 4 -12.121 5.528 -0.015 1.00 0.00 C ATOM 73 CZ TYR A 4 -12.687 6.041 1.133 1.00 0.00 C ATOM 74 OH TYR A 4 -13.645 7.024 1.042 1.00 0.00 O ATOM 0 H TYR A 4 -7.337 4.329 1.454 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.244 3.342 3.484 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.154 2.923 0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.193 2.007 1.540 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -11.037 4.218 3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.719 4.139 -0.821 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.747 5.973 3.267 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.427 5.897 -0.983 1.00 0.00 H new ATOM 0 HH TYR A 4 -13.328 7.735 0.447 1.00 0.00 H new ATOM 84 N TYR A 5 -6.795 1.801 1.909 1.00 0.00 N ATOM 85 CA TYR A 5 -5.939 0.624 1.993 1.00 0.00 C ATOM 86 C TYR A 5 -4.484 0.931 1.678 1.00 0.00 C ATOM 87 O TYR A 5 -4.165 1.864 0.943 1.00 0.00 O ATOM 88 CB TYR A 5 -6.447 -0.472 1.047 1.00 0.00 C ATOM 89 CG TYR A 5 -5.562 -1.711 0.975 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.317 -1.677 0.352 1.00 0.00 C ATOM 91 CD2 TYR A 5 -5.982 -2.920 1.518 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.520 -2.801 0.275 1.00 0.00 C ATOM 93 CE2 TYR A 5 -5.188 -4.050 1.443 1.00 0.00 C ATOM 94 CZ TYR A 5 -3.960 -3.985 0.821 1.00 0.00 C ATOM 95 OH TYR A 5 -3.170 -5.107 0.743 1.00 0.00 O ATOM 0 H TYR A 5 -6.519 2.486 1.205 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.985 0.278 3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.445 -0.773 1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.544 -0.053 0.046 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.968 -0.751 -0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.944 -2.978 2.006 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.557 -2.752 -0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.530 -4.981 1.871 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.339 -4.890 0.271 1.00 0.00 H new ATOM 105 N ILE A 6 -3.610 0.099 2.228 1.00 0.00 N ATOM 106 CA ILE A 6 -2.183 0.212 2.011 1.00 0.00 C ATOM 107 C ILE A 6 -1.564 -1.173 2.081 1.00 0.00 C ATOM 108 O ILE A 6 -2.202 -2.123 2.535 1.00 0.00 O ATOM 109 CB ILE A 6 -1.534 1.174 3.036 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.627 2.602 2.503 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.087 0.812 3.347 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.914 3.635 3.351 1.00 0.00 C ATOM 0 H ILE A 6 -3.876 -0.674 2.838 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.000 0.636 1.024 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.080 1.085 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.212 2.628 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.678 2.879 2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.318 1.519 4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.045 -0.195 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.503 0.852 2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.031 4.620 2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.343 3.642 4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.146 3.387 3.412 1.00 0.00 H new ATOM 124 N GLY A 7 -0.336 -1.290 1.626 1.00 0.00 N ATOM 125 CA GLY A 7 0.323 -2.573 1.648 1.00 0.00 C ATOM 126 C GLY A 7 1.533 -2.618 0.752 1.00 0.00 C ATOM 127 O GLY A 7 2.091 -1.583 0.386 1.00 0.00 O ATOM 0 H GLY A 7 0.218 -0.524 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.623 -2.806 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.382 -3.345 1.339 1.00 0.00 H new ATOM 131 N VAL A 8 1.942 -3.823 0.403 1.00 0.00 N ATOM 132 CA VAL A 8 3.100 -4.011 -0.447 1.00 0.00 C ATOM 133 C VAL A 8 2.925 -5.248 -1.320 1.00 0.00 C ATOM 134 O VAL A 8 2.164 -6.151 -0.973 1.00 0.00 O ATOM 135 CB VAL A 8 4.381 -4.149 0.388 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.550 -3.477 -0.310 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.198 -3.569 1.785 1.00 0.00 C ATOM 0 H VAL A 8 1.488 -4.688 0.696 1.00 0.00 H new ATOM 0 HA VAL A 8 3.191 -3.131 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 8 4.596 -5.213 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.448 -3.586 0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.711 -3.944 -1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.332 -2.418 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.123 -3.683 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.946 -2.511 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.393 -4.098 2.296 1.00 0.00 H new ATOM 147 N PHE A 9 3.597 -5.277 -2.469 1.00 0.00 N ATOM 148 CA PHE A 9 3.458 -6.405 -3.385 1.00 0.00 C ATOM 149 C PHE A 9 4.731 -6.679 -4.182 1.00 0.00 C ATOM 150 O PHE A 9 5.247 -5.802 -4.873 1.00 0.00 O ATOM 151 CB PHE A 9 2.309 -6.138 -4.351 1.00 0.00 C ATOM 152 CG PHE A 9 1.059 -5.639 -3.686 1.00 0.00 C ATOM 153 CD1 PHE A 9 1.015 -4.387 -3.089 1.00 0.00 C ATOM 154 CD2 PHE A 9 -0.078 -6.424 -3.665 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.141 -3.936 -2.487 1.00 0.00 C ATOM 156 CE2 PHE A 9 -1.237 -5.977 -3.066 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.268 -4.731 -2.476 1.00 0.00 C ATOM 0 H PHE A 9 4.233 -4.545 -2.784 1.00 0.00 H new ATOM 0 HA PHE A 9 3.256 -7.288 -2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.632 -5.406 -5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.080 -7.057 -4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.894 -3.760 -3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.059 -7.401 -4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.164 -2.960 -2.024 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.118 -6.601 -3.059 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.174 -4.378 -2.006 1.00 0.00 H new ATOM 167 N ARG A 10 5.210 -7.917 -4.108 1.00 0.00 N ATOM 168 CA ARG A 10 6.400 -8.321 -4.847 1.00 0.00 C ATOM 169 C ARG A 10 6.038 -8.608 -6.301 1.00 0.00 C ATOM 170 O ARG A 10 5.212 -9.475 -6.583 1.00 0.00 O ATOM 171 CB ARG A 10 7.033 -9.561 -4.208 1.00 0.00 C ATOM 172 CG ARG A 10 8.145 -10.184 -5.041 1.00 0.00 C ATOM 173 CD ARG A 10 7.634 -11.363 -5.855 1.00 0.00 C ATOM 174 NE ARG A 10 8.435 -11.587 -7.056 1.00 0.00 N ATOM 175 CZ ARG A 10 8.269 -12.625 -7.875 1.00 0.00 C ATOM 176 NH1 ARG A 10 7.329 -13.528 -7.629 1.00 0.00 N ATOM 177 NH2 ARG A 10 9.044 -12.758 -8.943 1.00 0.00 N ATOM 0 H ARG A 10 4.792 -8.657 -3.544 1.00 0.00 H new ATOM 0 HA ARG A 10 7.124 -7.507 -4.814 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.432 -9.290 -3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.257 -10.307 -4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.565 -9.433 -5.710 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.951 -10.514 -4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.646 -12.262 -5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.597 -11.185 -6.139 1.00 0.00 H new ATOM 0 HE ARG A 10 9.164 -10.910 -7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.729 -13.430 -6.810 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.206 -14.321 -8.259 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.767 -12.066 -9.138 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.917 -13.553 -9.570 1.00 0.00 H new ATOM 191 N SER A 11 6.650 -7.870 -7.222 1.00 0.00 N ATOM 192 CA SER A 11 6.379 -8.046 -8.645 1.00 0.00 C ATOM 193 C SER A 11 6.504 -9.509 -9.058 1.00 0.00 C ATOM 194 O SER A 11 7.608 -10.020 -9.253 1.00 0.00 O ATOM 195 CB SER A 11 7.330 -7.189 -9.481 1.00 0.00 C ATOM 196 OG SER A 11 7.934 -6.178 -8.694 1.00 0.00 O ATOM 0 H SER A 11 7.336 -7.146 -7.009 1.00 0.00 H new ATOM 0 HA SER A 11 5.353 -7.725 -8.827 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.102 -7.821 -9.921 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.783 -6.733 -10.306 1.00 0.00 H new ATOM 0 HG SER A 11 7.239 -5.612 -8.298 1.00 0.00 H new ATOM 202 N GLY A 12 5.364 -10.175 -9.193 1.00 0.00 N ATOM 203 CA GLY A 12 5.361 -11.572 -9.587 1.00 0.00 C ATOM 204 C GLY A 12 5.495 -11.750 -11.086 1.00 0.00 C ATOM 205 O GLY A 12 6.315 -11.089 -11.725 1.00 0.00 O ATOM 0 H GLY A 12 4.440 -9.773 -9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.180 -12.089 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.436 -12.040 -9.250 1.00 0.00 H new ATOM 209 N GLY A 13 4.688 -12.642 -11.650 1.00 0.00 N ATOM 210 CA GLY A 13 4.736 -12.885 -13.080 1.00 0.00 C ATOM 211 C GLY A 13 3.640 -12.155 -13.829 1.00 0.00 C ATOM 212 O GLY A 13 3.868 -11.082 -14.387 1.00 0.00 O ATOM 0 H GLY A 13 4.002 -13.201 -11.143 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.706 -12.572 -13.466 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.649 -13.955 -13.267 1.00 0.00 H new ATOM 216 N GLU A 14 2.445 -12.735 -13.839 1.00 0.00 N ATOM 217 CA GLU A 14 1.307 -12.132 -14.523 1.00 0.00 C ATOM 218 C GLU A 14 0.642 -11.068 -13.651 1.00 0.00 C ATOM 219 O GLU A 14 -0.087 -10.212 -14.151 1.00 0.00 O ATOM 220 CB GLU A 14 0.286 -13.208 -14.902 1.00 0.00 C ATOM 221 CG GLU A 14 -0.270 -13.050 -16.308 1.00 0.00 C ATOM 222 CD GLU A 14 -0.490 -14.380 -17.001 1.00 0.00 C ATOM 223 OE1 GLU A 14 0.489 -15.142 -17.147 1.00 0.00 O ATOM 224 OE2 GLU A 14 -1.641 -14.659 -17.399 1.00 0.00 O ATOM 0 H GLU A 14 2.239 -13.623 -13.381 1.00 0.00 H new ATOM 0 HA GLU A 14 1.675 -11.651 -15.429 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.754 -14.188 -14.813 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.538 -13.182 -14.189 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.214 -12.508 -16.262 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.417 -12.445 -16.900 1.00 0.00 H new ATOM 231 N LYS A 15 0.896 -11.127 -12.346 1.00 0.00 N ATOM 232 CA LYS A 15 0.324 -10.170 -11.411 1.00 0.00 C ATOM 233 C LYS A 15 1.288 -9.896 -10.264 1.00 0.00 C ATOM 234 O LYS A 15 2.385 -10.453 -10.216 1.00 0.00 O ATOM 235 CB LYS A 15 -1.008 -10.690 -10.863 1.00 0.00 C ATOM 236 CG LYS A 15 -0.979 -12.164 -10.494 1.00 0.00 C ATOM 237 CD LYS A 15 -1.762 -13.006 -11.491 1.00 0.00 C ATOM 238 CE LYS A 15 -3.141 -13.360 -10.959 1.00 0.00 C ATOM 239 NZ LYS A 15 -3.679 -14.597 -11.590 1.00 0.00 N ATOM 0 H LYS A 15 1.496 -11.830 -11.914 1.00 0.00 H new ATOM 0 HA LYS A 15 0.146 -9.237 -11.946 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.281 -10.109 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.787 -10.525 -11.608 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.054 -12.510 -10.456 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.397 -12.298 -9.496 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.862 -12.461 -12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.210 -13.920 -11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.089 -13.496 -9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.825 -12.531 -11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.621 -14.804 -11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.753 -14.459 -12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.040 -15.393 -11.393 1.00 0.00 H new ATOM 253 N ALA A 16 0.875 -9.037 -9.341 1.00 0.00 N ATOM 254 CA ALA A 16 1.704 -8.692 -8.195 1.00 0.00 C ATOM 255 C ALA A 16 1.435 -9.624 -7.022 1.00 0.00 C ATOM 256 O ALA A 16 0.282 -9.896 -6.685 1.00 0.00 O ATOM 257 CB ALA A 16 1.458 -7.250 -7.783 1.00 0.00 C ATOM 0 H ALA A 16 -0.030 -8.567 -9.364 1.00 0.00 H new ATOM 0 HA ALA A 16 2.748 -8.806 -8.488 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.084 -7.005 -6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.704 -6.587 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.409 -7.122 -7.515 1.00 0.00 H new ATOM 263 N LEU A 17 2.502 -10.106 -6.395 1.00 0.00 N ATOM 264 CA LEU A 17 2.369 -11.000 -5.255 1.00 0.00 C ATOM 265 C LEU A 17 2.067 -10.207 -3.988 1.00 0.00 C ATOM 266 O LEU A 17 2.705 -9.192 -3.715 1.00 0.00 O ATOM 267 CB LEU A 17 3.639 -11.826 -5.059 1.00 0.00 C ATOM 268 CG LEU A 17 3.586 -12.809 -3.887 1.00 0.00 C ATOM 269 CD1 LEU A 17 4.158 -14.159 -4.293 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.330 -12.250 -2.683 1.00 0.00 C ATOM 0 H LEU A 17 3.464 -9.893 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 17 1.540 -11.679 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.839 -12.383 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.479 -11.147 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 17 2.542 -12.951 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.111 -14.844 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.578 -14.566 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.196 -14.036 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.280 -12.964 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.372 -12.075 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.871 -11.310 -2.376 1.00 0.00 H new ATOM 282 N GLU A 18 1.088 -10.673 -3.223 1.00 0.00 N ATOM 283 CA GLU A 18 0.701 -10.002 -1.988 1.00 0.00 C ATOM 284 C GLU A 18 1.840 -10.011 -0.972 1.00 0.00 C ATOM 285 O GLU A 18 2.093 -11.022 -0.319 1.00 0.00 O ATOM 286 CB GLU A 18 -0.539 -10.669 -1.389 1.00 0.00 C ATOM 287 CG GLU A 18 -0.457 -12.186 -1.356 1.00 0.00 C ATOM 288 CD GLU A 18 -1.233 -12.836 -2.485 1.00 0.00 C ATOM 289 OE1 GLU A 18 -1.392 -12.192 -3.544 1.00 0.00 O ATOM 290 OE2 GLU A 18 -1.680 -13.989 -2.311 1.00 0.00 O ATOM 0 H GLU A 18 0.548 -11.512 -3.435 1.00 0.00 H new ATOM 0 HA GLU A 18 0.469 -8.965 -2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.686 -10.299 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.415 -10.373 -1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.588 -12.491 -1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.841 -12.546 -0.402 1.00 0.00 H new ATOM 297 N LEU A 19 2.513 -8.873 -0.833 1.00 0.00 N ATOM 298 CA LEU A 19 3.614 -8.743 0.116 1.00 0.00 C ATOM 299 C LEU A 19 3.063 -8.586 1.529 1.00 0.00 C ATOM 300 O LEU A 19 3.131 -9.507 2.337 1.00 0.00 O ATOM 301 CB LEU A 19 4.488 -7.548 -0.247 1.00 0.00 C ATOM 302 CG LEU A 19 5.977 -7.723 0.038 1.00 0.00 C ATOM 303 CD1 LEU A 19 6.627 -8.590 -1.029 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.658 -6.368 0.115 1.00 0.00 C ATOM 0 H LEU A 19 2.315 -8.026 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 19 4.226 -9.644 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.360 -7.333 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.129 -6.676 0.300 1.00 0.00 H new ATOM 0 HG LEU A 19 6.091 -8.224 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.688 -8.703 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.152 -9.571 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.507 -8.118 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.720 -6.506 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.535 -5.845 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.208 -5.780 0.915 1.00 0.00 H new ATOM 316 N SER A 20 2.484 -7.424 1.804 1.00 0.00 N ATOM 317 CA SER A 20 1.878 -7.158 3.099 1.00 0.00 C ATOM 318 C SER A 20 0.619 -6.322 2.899 1.00 0.00 C ATOM 319 O SER A 20 0.676 -5.227 2.339 1.00 0.00 O ATOM 320 CB SER A 20 2.850 -6.466 4.054 1.00 0.00 C ATOM 321 OG SER A 20 2.807 -5.058 3.905 1.00 0.00 O ATOM 0 H SER A 20 2.422 -6.649 1.144 1.00 0.00 H new ATOM 0 HA SER A 20 1.614 -8.110 3.560 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.604 -6.732 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.863 -6.822 3.866 1.00 0.00 H new ATOM 0 HG SER A 20 2.056 -4.813 3.326 1.00 0.00 H new ATOM 327 N GLU A 21 -0.526 -6.861 3.306 1.00 0.00 N ATOM 328 CA GLU A 21 -1.797 -6.171 3.108 1.00 0.00 C ATOM 329 C GLU A 21 -2.361 -5.543 4.381 1.00 0.00 C ATOM 330 O GLU A 21 -2.699 -6.237 5.341 1.00 0.00 O ATOM 331 CB GLU A 21 -2.824 -7.144 2.527 1.00 0.00 C ATOM 332 CG GLU A 21 -2.353 -7.846 1.263 1.00 0.00 C ATOM 333 CD GLU A 21 -2.936 -9.237 1.118 1.00 0.00 C ATOM 334 OE1 GLU A 21 -3.210 -9.878 2.155 1.00 0.00 O ATOM 335 OE2 GLU A 21 -3.117 -9.688 -0.033 1.00 0.00 O ATOM 0 H GLU A 21 -0.601 -7.766 3.771 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.597 -5.352 2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.067 -7.894 3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.744 -6.601 2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.630 -7.248 0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.265 -7.911 1.272 1.00 0.00 H new ATOM 342 N VAL A 22 -2.506 -4.220 4.347 1.00 0.00 N ATOM 343 CA VAL A 22 -3.080 -3.465 5.450 1.00 0.00 C ATOM 344 C VAL A 22 -4.314 -2.725 4.945 1.00 0.00 C ATOM 345 O VAL A 22 -4.289 -2.144 3.860 1.00 0.00 O ATOM 346 CB VAL A 22 -2.068 -2.465 6.047 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.702 -1.373 5.055 1.00 0.00 C ATOM 348 CG2 VAL A 22 -2.607 -1.854 7.331 1.00 0.00 C ATOM 0 H VAL A 22 -2.228 -3.644 3.552 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.353 -4.160 6.244 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.160 -3.022 6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.988 -0.689 5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.256 -1.822 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.600 -0.823 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.877 -1.152 7.734 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.538 -1.328 7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.793 -2.643 8.060 1.00 0.00 H new ATOM 358 N LYS A 23 -5.407 -2.777 5.695 1.00 0.00 N ATOM 359 CA LYS A 23 -6.638 -2.131 5.252 1.00 0.00 C ATOM 360 C LYS A 23 -7.176 -1.116 6.242 1.00 0.00 C ATOM 361 O LYS A 23 -6.876 -1.148 7.435 1.00 0.00 O ATOM 362 CB LYS A 23 -7.727 -3.175 4.998 1.00 0.00 C ATOM 363 CG LYS A 23 -7.244 -4.393 4.226 1.00 0.00 C ATOM 364 CD LYS A 23 -7.653 -5.686 4.911 1.00 0.00 C ATOM 365 CE LYS A 23 -7.542 -6.875 3.969 1.00 0.00 C ATOM 366 NZ LYS A 23 -8.182 -8.094 4.535 1.00 0.00 N ATOM 0 H LYS A 23 -5.469 -3.250 6.597 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.379 -1.602 4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.134 -3.501 5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.543 -2.708 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.653 -4.370 3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.159 -4.358 4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.022 -5.852 5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.678 -5.600 5.271 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.011 -6.628 3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.491 -7.079 3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.085 -8.881 3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.719 -8.345 5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.191 -7.908 4.707 1.00 0.00 H new ATOM 380 N ASP A 24 -8.027 -0.247 5.713 1.00 0.00 N ATOM 381 CA ASP A 24 -8.702 0.771 6.492 1.00 0.00 C ATOM 382 C ASP A 24 -10.133 0.864 5.987 1.00 0.00 C ATOM 383 O ASP A 24 -10.383 1.346 4.882 1.00 0.00 O ATOM 384 CB ASP A 24 -7.995 2.122 6.358 1.00 0.00 C ATOM 385 CG ASP A 24 -8.696 3.222 7.132 1.00 0.00 C ATOM 386 OD1 ASP A 24 -9.299 2.917 8.182 1.00 0.00 O ATOM 387 OD2 ASP A 24 -8.641 4.388 6.688 1.00 0.00 O ATOM 0 H ASP A 24 -8.267 -0.232 4.722 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.687 0.505 7.549 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.969 2.029 6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.943 2.399 5.305 1.00 0.00 H new ATOM 392 N LEU A 25 -11.066 0.369 6.786 1.00 0.00 N ATOM 393 CA LEU A 25 -12.468 0.361 6.405 1.00 0.00 C ATOM 394 C LEU A 25 -13.336 1.007 7.475 1.00 0.00 C ATOM 395 O LEU A 25 -13.905 0.328 8.330 1.00 0.00 O ATOM 396 CB LEU A 25 -12.919 -1.073 6.142 1.00 0.00 C ATOM 397 CG LEU A 25 -12.180 -1.763 4.991 1.00 0.00 C ATOM 398 CD1 LEU A 25 -11.623 -3.110 5.428 1.00 0.00 C ATOM 399 CD2 LEU A 25 -13.097 -1.923 3.787 1.00 0.00 C ATOM 0 H LEU A 25 -10.876 -0.033 7.704 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.582 0.947 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.780 -1.658 7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.987 -1.072 5.924 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.340 -1.132 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.104 -3.578 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.925 -2.965 6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.440 -3.754 5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.555 -2.415 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.961 -2.527 4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.433 -0.942 3.453 1.00 0.00 H new ATOM 411 N SER A 26 -13.421 2.327 7.419 1.00 0.00 N ATOM 412 CA SER A 26 -14.209 3.093 8.382 1.00 0.00 C ATOM 413 C SER A 26 -15.694 3.127 8.011 1.00 0.00 C ATOM 414 O SER A 26 -16.531 2.584 8.732 1.00 0.00 O ATOM 415 CB SER A 26 -13.667 4.521 8.486 1.00 0.00 C ATOM 416 OG SER A 26 -13.378 4.859 9.831 1.00 0.00 O ATOM 0 H SER A 26 -12.952 2.896 6.714 1.00 0.00 H new ATOM 0 HA SER A 26 -14.120 2.594 9.347 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.765 4.616 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.397 5.221 8.080 1.00 0.00 H new ATOM 0 HG SER A 26 -13.032 5.775 9.871 1.00 0.00 H new ATOM 422 N GLN A 27 -16.018 3.782 6.897 1.00 0.00 N ATOM 423 CA GLN A 27 -17.408 3.901 6.453 1.00 0.00 C ATOM 424 C GLN A 27 -17.953 2.572 5.928 1.00 0.00 C ATOM 425 O GLN A 27 -19.166 2.395 5.806 1.00 0.00 O ATOM 426 CB GLN A 27 -17.528 4.977 5.372 1.00 0.00 C ATOM 427 CG GLN A 27 -16.843 4.612 4.064 1.00 0.00 C ATOM 428 CD GLN A 27 -17.827 4.200 2.986 1.00 0.00 C ATOM 429 OE1 GLN A 27 -18.409 5.043 2.305 1.00 0.00 O ATOM 430 NE2 GLN A 27 -18.019 2.895 2.828 1.00 0.00 N ATOM 0 H GLN A 27 -15.340 4.238 6.286 1.00 0.00 H new ATOM 0 HA GLN A 27 -18.005 4.187 7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -18.583 5.168 5.178 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -17.100 5.906 5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -16.261 5.464 3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.141 3.797 4.241 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.515 2.231 3.415 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.671 2.557 2.120 1.00 0.00 H new ATOM 439 N PHE A 28 -17.056 1.647 5.617 1.00 0.00 N ATOM 440 CA PHE A 28 -17.447 0.337 5.101 1.00 0.00 C ATOM 441 C PHE A 28 -17.837 -0.595 6.246 1.00 0.00 C ATOM 442 O PHE A 28 -16.988 -1.026 7.026 1.00 0.00 O ATOM 443 CB PHE A 28 -16.307 -0.271 4.280 1.00 0.00 C ATOM 444 CG PHE A 28 -15.498 0.763 3.551 1.00 0.00 C ATOM 445 CD1 PHE A 28 -14.525 1.481 4.220 1.00 0.00 C ATOM 446 CD2 PHE A 28 -15.721 1.031 2.212 1.00 0.00 C ATOM 447 CE1 PHE A 28 -13.785 2.444 3.574 1.00 0.00 C ATOM 448 CE2 PHE A 28 -14.984 1.998 1.556 1.00 0.00 C ATOM 449 CZ PHE A 28 -14.013 2.704 2.241 1.00 0.00 C ATOM 0 H PHE A 28 -16.049 1.777 5.712 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.314 0.464 4.452 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -15.652 -0.838 4.941 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -16.721 -0.976 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -14.343 1.283 5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -16.478 0.479 1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.027 2.995 4.111 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -15.166 2.202 0.511 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.433 3.459 1.731 1.00 0.00 H new ATOM 459 N GLY A 29 -19.133 -0.888 6.349 1.00 0.00 N ATOM 460 CA GLY A 29 -19.625 -1.754 7.408 1.00 0.00 C ATOM 461 C GLY A 29 -18.951 -3.113 7.425 1.00 0.00 C ATOM 462 O GLY A 29 -17.883 -3.292 6.845 1.00 0.00 O ATOM 0 H GLY A 29 -19.852 -0.539 5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.470 -1.266 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.700 -1.889 7.289 1.00 0.00 H new ATOM 466 N PHE A 30 -19.581 -4.075 8.094 1.00 0.00 N ATOM 467 CA PHE A 30 -19.034 -5.428 8.183 1.00 0.00 C ATOM 468 C PHE A 30 -18.999 -6.083 6.808 1.00 0.00 C ATOM 469 O PHE A 30 -17.929 -6.352 6.261 1.00 0.00 O ATOM 470 CB PHE A 30 -19.858 -6.296 9.142 1.00 0.00 C ATOM 471 CG PHE A 30 -20.527 -5.530 10.248 1.00 0.00 C ATOM 472 CD1 PHE A 30 -19.776 -4.853 11.195 1.00 0.00 C ATOM 473 CD2 PHE A 30 -21.909 -5.488 10.339 1.00 0.00 C ATOM 474 CE1 PHE A 30 -20.391 -4.148 12.212 1.00 0.00 C ATOM 475 CE2 PHE A 30 -22.530 -4.786 11.353 1.00 0.00 C ATOM 476 CZ PHE A 30 -21.770 -4.115 12.291 1.00 0.00 C ATOM 0 H PHE A 30 -20.468 -3.945 8.581 1.00 0.00 H new ATOM 0 HA PHE A 30 -18.018 -5.347 8.570 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -20.620 -6.826 8.570 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -19.206 -7.051 9.581 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -18.698 -4.876 11.138 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -22.508 -6.011 9.608 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -19.795 -3.624 12.944 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -23.608 -4.762 11.413 1.00 0.00 H new ATOM 0 HZ PHE A 30 -22.253 -3.565 13.085 1.00 0.00 H new ATOM 486 N PHE A 31 -20.181 -6.334 6.255 1.00 0.00 N ATOM 487 CA PHE A 31 -20.297 -6.956 4.941 1.00 0.00 C ATOM 488 C PHE A 31 -19.544 -6.146 3.890 1.00 0.00 C ATOM 489 O PHE A 31 -19.052 -6.694 2.904 1.00 0.00 O ATOM 490 CB PHE A 31 -21.769 -7.089 4.545 1.00 0.00 C ATOM 491 CG PHE A 31 -22.652 -7.568 5.664 1.00 0.00 C ATOM 492 CD1 PHE A 31 -22.730 -8.916 5.974 1.00 0.00 C ATOM 493 CD2 PHE A 31 -23.404 -6.669 6.405 1.00 0.00 C ATOM 494 CE1 PHE A 31 -23.540 -9.359 7.002 1.00 0.00 C ATOM 495 CE2 PHE A 31 -24.216 -7.106 7.434 1.00 0.00 C ATOM 496 CZ PHE A 31 -24.284 -8.453 7.733 1.00 0.00 C ATOM 0 H PHE A 31 -21.074 -6.116 6.697 1.00 0.00 H new ATOM 0 HA PHE A 31 -19.853 -7.950 4.994 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.131 -6.122 4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -21.850 -7.782 3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -22.151 -9.629 5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -23.354 -5.615 6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -23.591 -10.413 7.234 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -24.797 -6.396 8.004 1.00 0.00 H new ATOM 0 HZ PHE A 31 -24.918 -8.797 8.537 1.00 0.00 H new ATOM 506 N GLU A 32 -19.455 -4.839 4.114 1.00 0.00 N ATOM 507 CA GLU A 32 -18.757 -3.952 3.192 1.00 0.00 C ATOM 508 C GLU A 32 -17.251 -4.009 3.427 1.00 0.00 C ATOM 509 O GLU A 32 -16.465 -3.947 2.485 1.00 0.00 O ATOM 510 CB GLU A 32 -19.256 -2.516 3.354 1.00 0.00 C ATOM 511 CG GLU A 32 -20.611 -2.267 2.712 1.00 0.00 C ATOM 512 CD GLU A 32 -21.764 -2.553 3.654 1.00 0.00 C ATOM 513 OE1 GLU A 32 -22.034 -1.710 4.535 1.00 0.00 O ATOM 514 OE2 GLU A 32 -22.396 -3.621 3.511 1.00 0.00 O ATOM 0 H GLU A 32 -19.858 -4.371 4.926 1.00 0.00 H new ATOM 0 HA GLU A 32 -18.964 -4.286 2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.317 -2.279 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.526 -1.835 2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -20.667 -1.230 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -20.709 -2.892 1.824 1.00 0.00 H new ATOM 521 N ARG A 33 -16.858 -4.131 4.688 1.00 0.00 N ATOM 522 CA ARG A 33 -15.445 -4.199 5.047 1.00 0.00 C ATOM 523 C ARG A 33 -14.762 -5.359 4.326 1.00 0.00 C ATOM 524 O ARG A 33 -13.612 -5.248 3.900 1.00 0.00 O ATOM 525 CB ARG A 33 -15.292 -4.356 6.563 1.00 0.00 C ATOM 526 CG ARG A 33 -13.853 -4.532 7.026 1.00 0.00 C ATOM 527 CD ARG A 33 -13.740 -5.583 8.119 1.00 0.00 C ATOM 528 NE ARG A 33 -12.876 -5.145 9.212 1.00 0.00 N ATOM 529 CZ ARG A 33 -13.265 -4.318 10.181 1.00 0.00 C ATOM 530 NH1 ARG A 33 -14.501 -3.836 10.194 1.00 0.00 N ATOM 531 NH2 ARG A 33 -12.415 -3.971 11.137 1.00 0.00 N ATOM 0 H ARG A 33 -17.497 -4.185 5.481 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.966 -3.270 4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.716 -3.479 7.053 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.876 -5.217 6.889 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.230 -4.819 6.179 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.470 -3.580 7.395 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.732 -5.808 8.509 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.347 -6.507 7.694 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.918 -5.493 9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.158 -4.098 9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.794 -3.203 10.938 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.463 -4.337 11.131 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.713 -3.338 11.879 1.00 0.00 H new ATOM 545 N SER A 34 -15.479 -6.468 4.194 1.00 0.00 N ATOM 546 CA SER A 34 -14.945 -7.648 3.524 1.00 0.00 C ATOM 547 C SER A 34 -14.922 -7.450 2.012 1.00 0.00 C ATOM 548 O SER A 34 -13.915 -7.721 1.356 1.00 0.00 O ATOM 549 CB SER A 34 -15.779 -8.881 3.877 1.00 0.00 C ATOM 550 OG SER A 34 -15.199 -10.060 3.347 1.00 0.00 O ATOM 0 H SER A 34 -16.432 -6.575 4.542 1.00 0.00 H new ATOM 0 HA SER A 34 -13.922 -7.800 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.863 -8.969 4.960 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.790 -8.763 3.488 1.00 0.00 H new ATOM 0 HG SER A 34 -15.751 -10.833 3.588 1.00 0.00 H new ATOM 556 N SER A 35 -16.037 -6.977 1.465 1.00 0.00 N ATOM 557 CA SER A 35 -16.144 -6.744 0.030 1.00 0.00 C ATOM 558 C SER A 35 -15.144 -5.687 -0.427 1.00 0.00 C ATOM 559 O SER A 35 -14.327 -5.936 -1.315 1.00 0.00 O ATOM 560 CB SER A 35 -17.565 -6.309 -0.334 1.00 0.00 C ATOM 561 OG SER A 35 -17.943 -5.147 0.383 1.00 0.00 O ATOM 0 H SER A 35 -16.879 -6.748 1.994 1.00 0.00 H new ATOM 0 HA SER A 35 -15.916 -7.679 -0.481 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.626 -6.115 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.263 -7.117 -0.116 1.00 0.00 H new ATOM 0 HG SER A 35 -18.854 -4.889 0.131 1.00 0.00 H new ATOM 567 N VAL A 36 -15.210 -4.507 0.183 1.00 0.00 N ATOM 568 CA VAL A 36 -14.304 -3.421 -0.168 1.00 0.00 C ATOM 569 C VAL A 36 -12.853 -3.848 0.008 1.00 0.00 C ATOM 570 O VAL A 36 -12.027 -3.647 -0.881 1.00 0.00 O ATOM 571 CB VAL A 36 -14.548 -2.157 0.673 1.00 0.00 C ATOM 572 CG1 VAL A 36 -13.826 -0.973 0.054 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.034 -1.863 0.815 1.00 0.00 C ATOM 0 H VAL A 36 -15.879 -4.280 0.919 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.504 -3.185 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.150 -2.332 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.005 -0.082 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.756 -1.178 0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.198 -0.808 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.171 -0.963 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.471 -1.711 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.526 -2.704 1.304 1.00 0.00 H new ATOM 583 N GLY A 37 -12.547 -4.443 1.161 1.00 0.00 N ATOM 584 CA GLY A 37 -11.192 -4.894 1.422 1.00 0.00 C ATOM 585 C GLY A 37 -10.631 -5.680 0.258 1.00 0.00 C ATOM 586 O GLY A 37 -9.526 -5.406 -0.212 1.00 0.00 O ATOM 0 H GLY A 37 -13.211 -4.619 1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.554 -4.033 1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.181 -5.514 2.319 1.00 0.00 H new ATOM 590 N GLN A 38 -11.410 -6.639 -0.230 1.00 0.00 N ATOM 591 CA GLN A 38 -10.997 -7.441 -1.370 1.00 0.00 C ATOM 592 C GLN A 38 -10.807 -6.535 -2.579 1.00 0.00 C ATOM 593 O GLN A 38 -9.938 -6.768 -3.420 1.00 0.00 O ATOM 594 CB GLN A 38 -12.040 -8.520 -1.673 1.00 0.00 C ATOM 595 CG GLN A 38 -11.713 -9.360 -2.895 1.00 0.00 C ATOM 596 CD GLN A 38 -10.398 -10.103 -2.758 1.00 0.00 C ATOM 597 OE1 GLN A 38 -9.337 -9.580 -3.102 1.00 0.00 O ATOM 598 NE2 GLN A 38 -10.461 -11.330 -2.254 1.00 0.00 N ATOM 0 H GLN A 38 -12.328 -6.878 0.146 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.054 -7.936 -1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -12.134 -9.175 -0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.010 -8.044 -1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.516 -10.078 -3.063 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.672 -8.716 -3.773 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.362 -11.724 -1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.609 -11.878 -2.139 1.00 0.00 H new ATOM 607 N PHE A 39 -11.622 -5.483 -2.643 1.00 0.00 N ATOM 608 CA PHE A 39 -11.545 -4.514 -3.727 1.00 0.00 C ATOM 609 C PHE A 39 -10.235 -3.742 -3.651 1.00 0.00 C ATOM 610 O PHE A 39 -9.578 -3.500 -4.664 1.00 0.00 O ATOM 611 CB PHE A 39 -12.726 -3.545 -3.655 1.00 0.00 C ATOM 612 CG PHE A 39 -13.157 -3.024 -4.997 1.00 0.00 C ATOM 613 CD1 PHE A 39 -12.311 -2.225 -5.750 1.00 0.00 C ATOM 614 CD2 PHE A 39 -14.410 -3.332 -5.505 1.00 0.00 C ATOM 615 CE1 PHE A 39 -12.705 -1.745 -6.985 1.00 0.00 C ATOM 616 CE2 PHE A 39 -14.810 -2.853 -6.738 1.00 0.00 C ATOM 617 CZ PHE A 39 -13.956 -2.059 -7.480 1.00 0.00 C ATOM 0 H PHE A 39 -12.345 -5.283 -1.952 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.585 -5.050 -4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.569 -4.047 -3.181 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.457 -2.703 -3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.333 -1.975 -5.367 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -15.081 -3.953 -4.930 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.035 -1.125 -7.563 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -15.789 -3.099 -7.122 1.00 0.00 H new ATOM 0 HZ PHE A 39 -14.266 -1.685 -8.445 1.00 0.00 H new ATOM 627 N MET A 40 -9.864 -3.361 -2.433 1.00 0.00 N ATOM 628 CA MET A 40 -8.637 -2.614 -2.199 1.00 0.00 C ATOM 629 C MET A 40 -7.408 -3.412 -2.619 1.00 0.00 C ATOM 630 O MET A 40 -6.633 -2.977 -3.470 1.00 0.00 O ATOM 631 CB MET A 40 -8.527 -2.239 -0.723 1.00 0.00 C ATOM 632 CG MET A 40 -9.523 -1.178 -0.286 1.00 0.00 C ATOM 633 SD MET A 40 -9.365 0.354 -1.226 1.00 0.00 S ATOM 634 CE MET A 40 -10.970 1.094 -0.935 1.00 0.00 C ATOM 0 H MET A 40 -10.401 -3.560 -1.589 1.00 0.00 H new ATOM 0 HA MET A 40 -8.677 -1.709 -2.806 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.674 -3.134 -0.118 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.517 -1.881 -0.523 1.00 0.00 H new ATOM 0 HG2 MET A 40 -10.535 -1.567 -0.400 1.00 0.00 H new ATOM 0 HG3 MET A 40 -9.380 -0.966 0.774 1.00 0.00 H new ATOM 0 HE1 MET A 40 -10.963 2.127 -1.283 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.732 0.534 -1.476 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.193 1.072 0.132 1.00 0.00 H new ATOM 644 N THR A 41 -7.229 -4.580 -2.008 1.00 0.00 N ATOM 645 CA THR A 41 -6.087 -5.433 -2.312 1.00 0.00 C ATOM 646 C THR A 41 -6.041 -5.781 -3.794 1.00 0.00 C ATOM 647 O THR A 41 -5.062 -5.487 -4.469 1.00 0.00 O ATOM 648 CB THR A 41 -6.142 -6.713 -1.476 1.00 0.00 C ATOM 649 OG1 THR A 41 -6.796 -6.480 -0.241 1.00 0.00 O ATOM 650 CG2 THR A 41 -4.776 -7.289 -1.173 1.00 0.00 C ATOM 0 H THR A 41 -7.860 -4.956 -1.300 1.00 0.00 H new ATOM 0 HA THR A 41 -5.181 -4.882 -2.062 1.00 0.00 H new ATOM 0 HB THR A 41 -6.694 -7.430 -2.084 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.327 -5.773 0.250 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.887 -8.195 -0.577 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.267 -7.529 -2.107 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.189 -6.559 -0.616 1.00 0.00 H new ATOM 658 N PHE A 42 -7.104 -6.407 -4.299 1.00 0.00 N ATOM 659 CA PHE A 42 -7.174 -6.788 -5.710 1.00 0.00 C ATOM 660 C PHE A 42 -6.686 -5.649 -6.602 1.00 0.00 C ATOM 661 O PHE A 42 -5.962 -5.868 -7.575 1.00 0.00 O ATOM 662 CB PHE A 42 -8.604 -7.174 -6.090 1.00 0.00 C ATOM 663 CG PHE A 42 -8.682 -8.108 -7.264 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.544 -9.476 -7.087 1.00 0.00 C ATOM 665 CD2 PHE A 42 -8.891 -7.619 -8.544 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.615 -10.339 -8.164 1.00 0.00 C ATOM 667 CE2 PHE A 42 -8.962 -8.477 -9.625 1.00 0.00 C ATOM 668 CZ PHE A 42 -8.824 -9.839 -9.435 1.00 0.00 C ATOM 0 H PHE A 42 -7.927 -6.661 -3.753 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.525 -7.650 -5.861 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.086 -7.642 -5.231 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.168 -6.269 -6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.379 -9.872 -6.096 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.000 -6.556 -8.698 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.507 -11.403 -8.012 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.125 -8.084 -10.617 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.879 -10.511 -10.278 1.00 0.00 H new ATOM 678 N PHE A 43 -7.076 -4.430 -6.251 1.00 0.00 N ATOM 679 CA PHE A 43 -6.666 -3.254 -7.004 1.00 0.00 C ATOM 680 C PHE A 43 -5.212 -2.913 -6.702 1.00 0.00 C ATOM 681 O PHE A 43 -4.474 -2.464 -7.578 1.00 0.00 O ATOM 682 CB PHE A 43 -7.564 -2.062 -6.662 1.00 0.00 C ATOM 683 CG PHE A 43 -7.840 -1.148 -7.825 1.00 0.00 C ATOM 684 CD1 PHE A 43 -6.952 -1.058 -8.888 1.00 0.00 C ATOM 685 CD2 PHE A 43 -8.989 -0.374 -7.852 1.00 0.00 C ATOM 686 CE1 PHE A 43 -7.207 -0.217 -9.953 1.00 0.00 C ATOM 687 CE2 PHE A 43 -9.248 0.470 -8.915 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.357 0.548 -9.966 1.00 0.00 C ATOM 0 H PHE A 43 -7.675 -4.231 -5.450 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.763 -3.474 -8.067 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.512 -2.434 -6.273 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.096 -1.486 -5.864 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.051 -1.653 -8.882 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.690 -0.431 -7.033 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.508 -0.157 -10.774 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.147 1.068 -8.923 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.559 1.207 -10.798 1.00 0.00 H new ATOM 698 N ALA A 44 -4.809 -3.129 -5.453 1.00 0.00 N ATOM 699 CA ALA A 44 -3.444 -2.844 -5.025 1.00 0.00 C ATOM 700 C ALA A 44 -2.451 -3.833 -5.633 1.00 0.00 C ATOM 701 O ALA A 44 -1.303 -3.483 -5.931 1.00 0.00 O ATOM 702 CB ALA A 44 -3.353 -2.864 -3.509 1.00 0.00 C ATOM 0 H ALA A 44 -5.411 -3.501 -4.718 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.181 -1.848 -5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.329 -2.650 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.021 -2.109 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.644 -3.848 -3.140 1.00 0.00 H new ATOM 708 N GLU A 45 -2.900 -5.064 -5.835 1.00 0.00 N ATOM 709 CA GLU A 45 -2.060 -6.092 -6.425 1.00 0.00 C ATOM 710 C GLU A 45 -1.908 -5.826 -7.915 1.00 0.00 C ATOM 711 O GLU A 45 -0.823 -5.969 -8.478 1.00 0.00 O ATOM 712 CB GLU A 45 -2.661 -7.477 -6.179 1.00 0.00 C ATOM 713 CG GLU A 45 -4.069 -7.628 -6.721 1.00 0.00 C ATOM 714 CD GLU A 45 -4.560 -9.063 -6.691 1.00 0.00 C ATOM 715 OE1 GLU A 45 -3.923 -9.895 -6.010 1.00 0.00 O ATOM 716 OE2 GLU A 45 -5.582 -9.355 -7.346 1.00 0.00 O ATOM 0 H GLU A 45 -3.843 -5.373 -5.598 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.075 -6.066 -5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.020 -8.230 -6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.669 -7.676 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.747 -7.005 -6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.100 -7.260 -7.746 1.00 0.00 H new ATOM 723 N THR A 46 -3.003 -5.406 -8.546 1.00 0.00 N ATOM 724 CA THR A 46 -2.983 -5.084 -9.967 1.00 0.00 C ATOM 725 C THR A 46 -1.973 -3.970 -10.219 1.00 0.00 C ATOM 726 O THR A 46 -1.079 -4.105 -11.050 1.00 0.00 O ATOM 727 CB THR A 46 -4.385 -4.668 -10.436 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.118 -5.798 -10.873 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.380 -3.662 -11.570 1.00 0.00 C ATOM 0 H THR A 46 -3.910 -5.282 -8.096 1.00 0.00 H new ATOM 0 HA THR A 46 -2.685 -5.965 -10.536 1.00 0.00 H new ATOM 0 HB THR A 46 -4.846 -4.199 -9.567 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.009 -5.516 -11.167 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.406 -3.418 -11.845 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.865 -2.756 -11.250 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.865 -4.087 -12.431 1.00 0.00 H new ATOM 737 N VAL A 47 -2.115 -2.876 -9.475 1.00 0.00 N ATOM 738 CA VAL A 47 -1.200 -1.740 -9.603 1.00 0.00 C ATOM 739 C VAL A 47 0.239 -2.216 -9.608 1.00 0.00 C ATOM 740 O VAL A 47 0.959 -2.025 -10.585 1.00 0.00 O ATOM 741 CB VAL A 47 -1.332 -0.713 -8.459 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.969 0.569 -8.933 1.00 0.00 C ATOM 743 CG2 VAL A 47 -2.089 -1.262 -7.274 1.00 0.00 C ATOM 0 H VAL A 47 -2.851 -2.750 -8.780 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.472 -1.257 -10.542 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.316 -0.496 -8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.045 1.267 -8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.358 1.009 -9.721 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.965 0.358 -9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.153 -0.499 -6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.094 -1.548 -7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.568 -2.135 -6.882 1.00 0.00 H new ATOM 753 N ALA A 48 0.655 -2.846 -8.513 1.00 0.00 N ATOM 754 CA ALA A 48 2.012 -3.354 -8.423 1.00 0.00 C ATOM 755 C ALA A 48 2.327 -4.177 -9.667 1.00 0.00 C ATOM 756 O ALA A 48 3.466 -4.214 -10.132 1.00 0.00 O ATOM 757 CB ALA A 48 2.203 -4.160 -7.150 1.00 0.00 C ATOM 0 H ALA A 48 0.078 -3.013 -7.689 1.00 0.00 H new ATOM 0 HA ALA A 48 2.710 -2.518 -8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.227 -4.531 -7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.007 -3.526 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.512 -5.003 -7.146 1.00 0.00 H new ATOM 763 N SER A 49 1.288 -4.799 -10.228 1.00 0.00 N ATOM 764 CA SER A 49 1.435 -5.576 -11.448 1.00 0.00 C ATOM 765 C SER A 49 1.697 -4.623 -12.610 1.00 0.00 C ATOM 766 O SER A 49 2.571 -4.864 -13.442 1.00 0.00 O ATOM 767 CB SER A 49 0.181 -6.417 -11.712 1.00 0.00 C ATOM 768 OG SER A 49 -0.634 -5.838 -12.717 1.00 0.00 O ATOM 0 H SER A 49 0.340 -4.776 -9.853 1.00 0.00 H new ATOM 0 HA SER A 49 2.275 -6.262 -11.341 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.474 -7.422 -12.015 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.392 -6.516 -10.790 1.00 0.00 H new ATOM 0 HG SER A 49 -1.052 -5.022 -12.370 1.00 0.00 H new ATOM 774 N ARG A 50 0.952 -3.515 -12.631 1.00 0.00 N ATOM 775 CA ARG A 50 1.127 -2.499 -13.662 1.00 0.00 C ATOM 776 C ARG A 50 2.476 -1.833 -13.487 1.00 0.00 C ATOM 777 O ARG A 50 3.116 -1.424 -14.456 1.00 0.00 O ATOM 778 CB ARG A 50 0.036 -1.424 -13.594 1.00 0.00 C ATOM 779 CG ARG A 50 -1.372 -1.955 -13.395 1.00 0.00 C ATOM 780 CD ARG A 50 -2.245 -0.927 -12.688 1.00 0.00 C ATOM 781 NE ARG A 50 -3.072 -0.168 -13.624 1.00 0.00 N ATOM 782 CZ ARG A 50 -4.017 -0.707 -14.392 1.00 0.00 C ATOM 783 NH1 ARG A 50 -4.264 -2.010 -14.337 1.00 0.00 N ATOM 784 NH2 ARG A 50 -4.718 0.059 -15.216 1.00 0.00 N ATOM 0 H ARG A 50 0.226 -3.303 -11.947 1.00 0.00 H new ATOM 0 HA ARG A 50 1.061 -2.995 -14.630 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.270 -0.741 -12.778 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.062 -0.841 -14.515 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.810 -2.207 -14.361 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.339 -2.874 -12.810 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.887 -1.433 -11.966 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.612 -0.240 -12.126 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.916 0.838 -13.693 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.729 -2.604 -13.704 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.989 -2.417 -14.928 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.534 1.061 -15.262 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.442 -0.354 -15.804 1.00 0.00 H new ATOM 798 N THR A 51 2.903 -1.732 -12.235 1.00 0.00 N ATOM 799 CA THR A 51 4.169 -1.123 -11.921 1.00 0.00 C ATOM 800 C THR A 51 5.296 -2.100 -12.212 1.00 0.00 C ATOM 801 O THR A 51 5.506 -3.066 -11.478 1.00 0.00 O ATOM 802 CB THR A 51 4.172 -0.696 -10.451 1.00 0.00 C ATOM 803 OG1 THR A 51 2.992 0.022 -10.154 1.00 0.00 O ATOM 804 CG2 THR A 51 5.350 0.175 -10.074 1.00 0.00 C ATOM 0 H THR A 51 2.382 -2.068 -11.425 1.00 0.00 H new ATOM 0 HA THR A 51 4.322 -0.239 -12.540 1.00 0.00 H new ATOM 0 HB THR A 51 4.239 -1.620 -9.876 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.235 -0.598 -10.108 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.285 0.438 -9.018 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.277 -0.368 -10.256 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.338 1.084 -10.676 1.00 0.00 H new ATOM 812 N GLY A 52 6.015 -1.842 -13.296 1.00 0.00 N ATOM 813 CA GLY A 52 7.113 -2.704 -13.685 1.00 0.00 C ATOM 814 C GLY A 52 8.417 -2.322 -13.018 1.00 0.00 C ATOM 815 O GLY A 52 9.481 -2.388 -13.633 1.00 0.00 O ATOM 0 H GLY A 52 5.856 -1.047 -13.915 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.868 -3.735 -13.431 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.237 -2.663 -14.767 1.00 0.00 H new ATOM 819 N ALA A 53 8.336 -1.921 -11.754 1.00 0.00 N ATOM 820 CA ALA A 53 9.522 -1.528 -11.003 1.00 0.00 C ATOM 821 C ALA A 53 10.191 -0.307 -11.627 1.00 0.00 C ATOM 822 O ALA A 53 10.209 -0.152 -12.847 1.00 0.00 O ATOM 823 CB ALA A 53 10.506 -2.684 -10.929 1.00 0.00 C ATOM 0 H ALA A 53 7.464 -1.860 -11.229 1.00 0.00 H new ATOM 0 HA ALA A 53 9.208 -1.263 -9.993 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.387 -2.376 -10.365 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.035 -3.532 -10.432 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.803 -2.974 -11.937 1.00 0.00 H new ATOM 829 N GLY A 54 10.738 0.558 -10.780 1.00 0.00 N ATOM 830 CA GLY A 54 11.398 1.753 -11.266 1.00 0.00 C ATOM 831 C GLY A 54 10.423 2.867 -11.591 1.00 0.00 C ATOM 832 O GLY A 54 10.831 3.950 -12.012 1.00 0.00 O ATOM 0 H GLY A 54 10.736 0.452 -9.766 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.106 2.103 -10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.974 1.508 -12.158 1.00 0.00 H new ATOM 836 N GLU A 55 9.133 2.607 -11.399 1.00 0.00 N ATOM 837 CA GLU A 55 8.111 3.607 -11.681 1.00 0.00 C ATOM 838 C GLU A 55 7.032 3.621 -10.603 1.00 0.00 C ATOM 839 O GLU A 55 7.036 2.795 -9.690 1.00 0.00 O ATOM 840 CB GLU A 55 7.478 3.347 -13.049 1.00 0.00 C ATOM 841 CG GLU A 55 7.040 1.906 -13.253 1.00 0.00 C ATOM 842 CD GLU A 55 6.198 1.724 -14.502 1.00 0.00 C ATOM 843 OE1 GLU A 55 6.717 1.980 -15.609 1.00 0.00 O ATOM 844 OE2 GLU A 55 5.022 1.325 -14.373 1.00 0.00 O ATOM 0 H GLU A 55 8.773 1.718 -11.052 1.00 0.00 H new ATOM 0 HA GLU A 55 8.595 4.584 -11.688 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.615 4.001 -13.171 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.193 3.614 -13.827 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.921 1.268 -13.317 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.470 1.577 -12.384 1.00 0.00 H new ATOM 851 N ARG A 56 6.107 4.571 -10.718 1.00 0.00 N ATOM 852 CA ARG A 56 5.015 4.708 -9.762 1.00 0.00 C ATOM 853 C ARG A 56 3.672 4.756 -10.485 1.00 0.00 C ATOM 854 O ARG A 56 3.617 5.008 -11.688 1.00 0.00 O ATOM 855 CB ARG A 56 5.201 5.978 -8.929 1.00 0.00 C ATOM 856 CG ARG A 56 6.526 6.030 -8.186 1.00 0.00 C ATOM 857 CD ARG A 56 6.867 7.447 -7.752 1.00 0.00 C ATOM 858 NE ARG A 56 7.305 8.274 -8.875 1.00 0.00 N ATOM 859 CZ ARG A 56 7.305 9.604 -8.860 1.00 0.00 C ATOM 860 NH1 ARG A 56 6.891 10.264 -7.786 1.00 0.00 N ATOM 861 NH2 ARG A 56 7.721 10.278 -9.924 1.00 0.00 N ATOM 0 H ARG A 56 6.094 5.261 -11.469 1.00 0.00 H new ATOM 0 HA ARG A 56 5.026 3.841 -9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.127 6.846 -9.584 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.387 6.052 -8.208 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.479 5.382 -7.311 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.319 5.644 -8.827 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.994 7.903 -7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.653 7.416 -6.997 1.00 0.00 H new ATOM 0 HE ARG A 56 7.630 7.803 -9.720 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.570 9.751 -6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.894 11.284 -7.782 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.040 9.776 -10.753 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.721 11.298 -9.914 1.00 0.00 H new ATOM 875 N GLN A 57 2.588 4.516 -9.750 1.00 0.00 N ATOM 876 CA GLN A 57 1.253 4.543 -10.348 1.00 0.00 C ATOM 877 C GLN A 57 0.229 5.198 -9.432 1.00 0.00 C ATOM 878 O GLN A 57 0.372 5.204 -8.211 1.00 0.00 O ATOM 879 CB GLN A 57 0.774 3.129 -10.705 1.00 0.00 C ATOM 880 CG GLN A 57 1.535 2.502 -11.862 1.00 0.00 C ATOM 881 CD GLN A 57 1.257 3.193 -13.184 1.00 0.00 C ATOM 882 OE1 GLN A 57 2.114 3.893 -13.723 1.00 0.00 O ATOM 883 NE2 GLN A 57 0.054 2.999 -13.712 1.00 0.00 N ATOM 0 H GLN A 57 2.605 4.303 -8.753 1.00 0.00 H new ATOM 0 HA GLN A 57 1.338 5.138 -11.257 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.872 2.489 -9.828 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.286 3.166 -10.956 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.604 2.541 -11.653 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.265 1.449 -11.942 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.626 2.410 -13.230 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.190 3.439 -14.599 1.00 0.00 H new ATOM 892 N SER A 58 -0.823 5.719 -10.047 1.00 0.00 N ATOM 893 CA SER A 58 -1.915 6.347 -9.334 1.00 0.00 C ATOM 894 C SER A 58 -3.210 5.987 -10.046 1.00 0.00 C ATOM 895 O SER A 58 -3.528 6.537 -11.100 1.00 0.00 O ATOM 896 CB SER A 58 -1.735 7.865 -9.287 1.00 0.00 C ATOM 897 OG SER A 58 -0.972 8.324 -10.391 1.00 0.00 O ATOM 0 H SER A 58 -0.939 5.716 -11.060 1.00 0.00 H new ATOM 0 HA SER A 58 -1.938 5.990 -8.304 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.711 8.350 -9.289 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.241 8.147 -8.357 1.00 0.00 H new ATOM 0 HG SER A 58 -0.873 9.298 -10.338 1.00 0.00 H new ATOM 903 N ILE A 59 -3.934 5.039 -9.478 1.00 0.00 N ATOM 904 CA ILE A 59 -5.183 4.570 -10.072 1.00 0.00 C ATOM 905 C ILE A 59 -6.367 5.386 -9.582 1.00 0.00 C ATOM 906 O ILE A 59 -6.825 5.226 -8.452 1.00 0.00 O ATOM 907 CB ILE A 59 -5.437 3.069 -9.786 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.460 2.550 -8.733 1.00 0.00 C ATOM 909 CG2 ILE A 59 -5.318 2.255 -11.064 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.783 1.170 -8.222 1.00 0.00 C ATOM 0 H ILE A 59 -3.682 4.575 -8.605 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.079 4.701 -11.149 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.451 2.961 -9.400 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.456 2.543 -9.157 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.447 3.243 -7.892 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.500 1.203 -10.844 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.053 2.606 -11.789 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.316 2.371 -11.478 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.043 0.875 -7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.773 1.173 -7.767 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.767 0.462 -9.051 1.00 0.00 H new ATOM 922 N GLU A 60 -6.858 6.258 -10.450 1.00 0.00 N ATOM 923 CA GLU A 60 -7.994 7.107 -10.125 1.00 0.00 C ATOM 924 C GLU A 60 -9.285 6.509 -10.667 1.00 0.00 C ATOM 925 O GLU A 60 -9.518 6.499 -11.876 1.00 0.00 O ATOM 926 CB GLU A 60 -7.790 8.512 -10.696 1.00 0.00 C ATOM 927 CG GLU A 60 -6.556 9.215 -10.152 1.00 0.00 C ATOM 928 CD GLU A 60 -5.659 9.753 -11.251 1.00 0.00 C ATOM 929 OE1 GLU A 60 -5.094 8.936 -12.009 1.00 0.00 O ATOM 930 OE2 GLU A 60 -5.523 10.990 -11.353 1.00 0.00 O ATOM 0 H GLU A 60 -6.485 6.396 -11.389 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.069 7.173 -9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.712 8.447 -11.781 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.670 9.117 -10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.866 10.037 -9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.989 8.519 -9.533 1.00 0.00 H new ATOM 937 N GLU A 61 -10.119 6.010 -9.765 1.00 0.00 N ATOM 938 CA GLU A 61 -11.389 5.407 -10.149 1.00 0.00 C ATOM 939 C GLU A 61 -12.556 6.199 -9.576 1.00 0.00 C ATOM 940 O GLU A 61 -12.364 7.115 -8.777 1.00 0.00 O ATOM 941 CB GLU A 61 -11.456 3.957 -9.666 1.00 0.00 C ATOM 942 CG GLU A 61 -12.390 3.084 -10.488 1.00 0.00 C ATOM 943 CD GLU A 61 -11.891 1.659 -10.622 1.00 0.00 C ATOM 944 OE1 GLU A 61 -10.962 1.428 -11.426 1.00 0.00 O ATOM 945 OE2 GLU A 61 -12.427 0.773 -9.924 1.00 0.00 O ATOM 0 H GLU A 61 -9.939 6.011 -8.761 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.458 5.423 -11.237 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.454 3.528 -9.692 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.782 3.944 -8.626 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.376 3.077 -10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.507 3.519 -11.481 1.00 0.00 H new ATOM 952 N GLY A 62 -13.768 5.838 -9.983 1.00 0.00 N ATOM 953 CA GLY A 62 -14.948 6.526 -9.492 1.00 0.00 C ATOM 954 C GLY A 62 -15.274 6.152 -8.059 1.00 0.00 C ATOM 955 O GLY A 62 -16.384 5.714 -7.761 1.00 0.00 O ATOM 0 H GLY A 62 -13.955 5.083 -10.643 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.793 7.603 -9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.798 6.287 -10.131 1.00 0.00 H new ATOM 959 N ASN A 63 -14.299 6.324 -7.173 1.00 0.00 N ATOM 960 CA ASN A 63 -14.480 6.002 -5.765 1.00 0.00 C ATOM 961 C ASN A 63 -13.285 6.474 -4.943 1.00 0.00 C ATOM 962 O ASN A 63 -13.448 7.097 -3.894 1.00 0.00 O ATOM 963 CB ASN A 63 -14.680 4.494 -5.586 1.00 0.00 C ATOM 964 CG ASN A 63 -15.927 4.168 -4.789 1.00 0.00 C ATOM 965 OD1 ASN A 63 -16.330 4.925 -3.907 1.00 0.00 O ATOM 966 ND2 ASN A 63 -16.545 3.032 -5.095 1.00 0.00 N ATOM 0 H ASN A 63 -13.374 6.685 -7.407 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.370 6.521 -5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -14.744 4.020 -6.565 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -13.810 4.072 -5.083 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -17.388 2.758 -4.591 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.176 2.434 -5.834 1.00 0.00 H new ATOM 973 N TYR A 64 -12.084 6.174 -5.426 1.00 0.00 N ATOM 974 CA TYR A 64 -10.862 6.572 -4.731 1.00 0.00 C ATOM 975 C TYR A 64 -9.628 6.396 -5.611 1.00 0.00 C ATOM 976 O TYR A 64 -9.724 6.018 -6.778 1.00 0.00 O ATOM 977 CB TYR A 64 -10.696 5.772 -3.432 1.00 0.00 C ATOM 978 CG TYR A 64 -11.236 4.359 -3.500 1.00 0.00 C ATOM 979 CD1 TYR A 64 -10.495 3.337 -4.081 1.00 0.00 C ATOM 980 CD2 TYR A 64 -12.484 4.047 -2.977 1.00 0.00 C ATOM 981 CE1 TYR A 64 -10.984 2.045 -4.140 1.00 0.00 C ATOM 982 CE2 TYR A 64 -12.979 2.758 -3.030 1.00 0.00 C ATOM 983 CZ TYR A 64 -12.226 1.761 -3.613 1.00 0.00 C ATOM 984 OH TYR A 64 -12.715 0.476 -3.669 1.00 0.00 O ATOM 0 H TYR A 64 -11.929 5.659 -6.293 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.956 7.631 -4.491 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.637 5.732 -3.176 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.200 6.303 -2.624 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.521 3.556 -4.493 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -13.078 4.825 -2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -10.396 1.262 -4.596 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -13.951 2.533 -2.617 1.00 0.00 H new ATOM 0 HH TYR A 64 -12.338 0.016 -4.448 1.00 0.00 H new ATOM 994 N ILE A 65 -8.472 6.686 -5.027 1.00 0.00 N ATOM 995 CA ILE A 65 -7.194 6.583 -5.722 1.00 0.00 C ATOM 996 C ILE A 65 -6.391 5.387 -5.216 1.00 0.00 C ATOM 997 O ILE A 65 -6.616 4.895 -4.111 1.00 0.00 O ATOM 998 CB ILE A 65 -6.350 7.868 -5.516 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.810 8.972 -6.467 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.856 7.597 -5.705 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -5.876 10.162 -6.489 1.00 0.00 C ATOM 0 H ILE A 65 -8.393 6.999 -4.059 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.412 6.453 -6.782 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.503 8.199 -4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.894 8.564 -7.474 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.806 9.304 -6.174 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.297 8.520 -5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.527 6.850 -4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.678 7.227 -6.715 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.257 10.911 -7.183 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.812 10.592 -5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.885 9.841 -6.810 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.436 4.947 -6.025 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.589 3.840 -5.637 1.00 0.00 C ATOM 1015 C GLY A 66 -3.137 4.093 -5.980 1.00 0.00 C ATOM 1016 O GLY A 66 -2.619 3.571 -6.966 1.00 0.00 O ATOM 0 H GLY A 66 -5.234 5.339 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.684 3.669 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.927 2.932 -6.136 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.481 4.910 -5.164 1.00 0.00 N ATOM 1021 CA HIS A 67 -1.083 5.247 -5.384 1.00 0.00 C ATOM 1022 C HIS A 67 -0.215 3.992 -5.459 1.00 0.00 C ATOM 1023 O HIS A 67 -0.621 2.915 -5.023 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.575 6.174 -4.279 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.282 7.493 -4.234 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.344 8.350 -5.311 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -1.961 8.098 -3.233 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -2.030 9.428 -4.974 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.416 9.299 -3.719 1.00 0.00 N ATOM 0 H HIS A 67 -2.897 5.351 -4.344 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.013 5.765 -6.340 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.690 5.676 -3.316 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.492 6.347 -4.423 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.116 7.709 -2.237 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.239 10.271 -5.616 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.964 9.981 -3.195 1.00 0.00 H new ATOM 1038 N VAL A 68 0.977 4.141 -6.027 1.00 0.00 N ATOM 1039 CA VAL A 68 1.909 3.027 -6.180 1.00 0.00 C ATOM 1040 C VAL A 68 3.347 3.533 -6.199 1.00 0.00 C ATOM 1041 O VAL A 68 3.634 4.582 -6.774 1.00 0.00 O ATOM 1042 CB VAL A 68 1.607 2.243 -7.486 1.00 0.00 C ATOM 1043 CG1 VAL A 68 2.860 1.905 -8.276 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.857 0.966 -7.192 1.00 0.00 C ATOM 0 H VAL A 68 1.323 5.028 -6.392 1.00 0.00 H new ATOM 0 HA VAL A 68 1.783 2.357 -5.329 1.00 0.00 H new ATOM 0 HB VAL A 68 0.992 2.907 -8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.585 1.357 -9.178 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.375 2.825 -8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.520 1.290 -7.665 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.659 0.437 -8.124 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.457 0.334 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.087 1.203 -6.702 1.00 0.00 H new ATOM 1054 N TYR A 69 4.247 2.769 -5.595 1.00 0.00 N ATOM 1055 CA TYR A 69 5.657 3.133 -5.567 1.00 0.00 C ATOM 1056 C TYR A 69 6.529 1.887 -5.600 1.00 0.00 C ATOM 1057 O TYR A 69 6.561 1.107 -4.645 1.00 0.00 O ATOM 1058 CB TYR A 69 5.978 3.961 -4.325 1.00 0.00 C ATOM 1059 CG TYR A 69 5.727 5.442 -4.500 1.00 0.00 C ATOM 1060 CD1 TYR A 69 4.434 5.950 -4.543 1.00 0.00 C ATOM 1061 CD2 TYR A 69 6.786 6.334 -4.623 1.00 0.00 C ATOM 1062 CE1 TYR A 69 4.203 7.303 -4.704 1.00 0.00 C ATOM 1063 CE2 TYR A 69 6.563 7.688 -4.783 1.00 0.00 C ATOM 1064 CZ TYR A 69 5.271 8.167 -4.823 1.00 0.00 C ATOM 1065 OH TYR A 69 5.045 9.516 -4.984 1.00 0.00 O ATOM 0 H TYR A 69 4.026 1.895 -5.118 1.00 0.00 H new ATOM 0 HA TYR A 69 5.868 3.735 -6.451 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.379 3.596 -3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.023 3.808 -4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.595 5.276 -4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.800 5.962 -4.593 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.192 7.681 -4.736 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.397 8.368 -4.876 1.00 0.00 H new ATOM 0 HH TYR A 69 5.780 10.022 -4.578 1.00 0.00 H new ATOM 1075 N ALA A 70 7.231 1.702 -6.709 1.00 0.00 N ATOM 1076 CA ALA A 70 8.103 0.548 -6.875 1.00 0.00 C ATOM 1077 C ALA A 70 9.525 0.861 -6.421 1.00 0.00 C ATOM 1078 O ALA A 70 9.978 2.002 -6.505 1.00 0.00 O ATOM 1079 CB ALA A 70 8.097 0.095 -8.325 1.00 0.00 C ATOM 0 H ALA A 70 7.214 2.336 -7.507 1.00 0.00 H new ATOM 0 HA ALA A 70 7.723 -0.259 -6.249 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.752 -0.769 -8.439 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.083 -0.178 -8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.452 0.906 -8.961 1.00 0.00 H new ATOM 1085 N ARG A 71 10.224 -0.163 -5.943 1.00 0.00 N ATOM 1086 CA ARG A 71 11.598 -0.001 -5.481 1.00 0.00 C ATOM 1087 C ARG A 71 12.567 -0.028 -6.658 1.00 0.00 C ATOM 1088 O ARG A 71 12.153 -0.151 -7.811 1.00 0.00 O ATOM 1089 CB ARG A 71 11.956 -1.103 -4.483 1.00 0.00 C ATOM 1090 CG ARG A 71 12.933 -0.655 -3.406 1.00 0.00 C ATOM 1091 CD ARG A 71 14.215 -1.472 -3.436 1.00 0.00 C ATOM 1092 NE ARG A 71 15.389 -0.662 -3.121 1.00 0.00 N ATOM 1093 CZ ARG A 71 16.638 -1.019 -3.414 1.00 0.00 C ATOM 1094 NH1 ARG A 71 16.878 -2.171 -4.029 1.00 0.00 N ATOM 1095 NH2 ARG A 71 17.648 -0.223 -3.093 1.00 0.00 N ATOM 0 H ARG A 71 9.862 -1.113 -5.865 1.00 0.00 H new ATOM 0 HA ARG A 71 11.680 0.966 -4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.043 -1.462 -4.007 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.386 -1.946 -5.024 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.170 0.400 -3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.464 -0.750 -2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.139 -2.292 -2.722 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.337 -1.919 -4.423 1.00 0.00 H new ATOM 0 HE ARG A 71 15.243 0.230 -2.648 1.00 0.00 H new ATOM 0 HH11 ARG A 71 16.104 -2.787 -4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 71 17.836 -2.440 -4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 71 17.469 0.663 -2.621 1.00 0.00 H new ATOM 0 HH22 ARG A 71 18.605 -0.497 -3.318 1.00 0.00 H new ATOM 1109 N SER A 72 13.858 0.087 -6.361 1.00 0.00 N ATOM 1110 CA SER A 72 14.887 0.075 -7.399 1.00 0.00 C ATOM 1111 C SER A 72 14.681 -1.094 -8.359 1.00 0.00 C ATOM 1112 O SER A 72 14.706 -0.920 -9.578 1.00 0.00 O ATOM 1113 CB SER A 72 16.276 -0.011 -6.764 1.00 0.00 C ATOM 1114 OG SER A 72 16.551 1.135 -5.980 1.00 0.00 O ATOM 0 H SER A 72 14.217 0.189 -5.412 1.00 0.00 H new ATOM 0 HA SER A 72 14.808 1.003 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.340 -0.904 -6.143 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.030 -0.111 -7.545 1.00 0.00 H new ATOM 0 HG SER A 72 17.444 1.054 -5.584 1.00 0.00 H new ATOM 1120 N GLU A 73 14.477 -2.283 -7.801 1.00 0.00 N ATOM 1121 CA GLU A 73 14.263 -3.483 -8.604 1.00 0.00 C ATOM 1122 C GLU A 73 14.132 -4.714 -7.713 1.00 0.00 C ATOM 1123 O GLU A 73 15.117 -5.398 -7.435 1.00 0.00 O ATOM 1124 CB GLU A 73 15.415 -3.677 -9.595 1.00 0.00 C ATOM 1125 CG GLU A 73 14.953 -3.996 -11.008 1.00 0.00 C ATOM 1126 CD GLU A 73 14.887 -5.486 -11.276 1.00 0.00 C ATOM 1127 OE1 GLU A 73 14.620 -6.249 -10.324 1.00 0.00 O ATOM 1128 OE2 GLU A 73 15.101 -5.891 -12.438 1.00 0.00 O ATOM 0 H GLU A 73 14.455 -2.442 -6.794 1.00 0.00 H new ATOM 0 HA GLU A 73 13.335 -3.356 -9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 73 16.022 -2.772 -9.616 1.00 0.00 H new ATOM 0 HB3 GLU A 73 16.057 -4.484 -9.240 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.969 -3.557 -11.173 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.633 -3.532 -11.722 1.00 0.00 H new ATOM 1135 N GLY A 74 12.911 -4.992 -7.265 1.00 0.00 N ATOM 1136 CA GLY A 74 12.685 -6.142 -6.410 1.00 0.00 C ATOM 1137 C GLY A 74 11.235 -6.284 -5.985 1.00 0.00 C ATOM 1138 O GLY A 74 10.412 -6.811 -6.734 1.00 0.00 O ATOM 0 H GLY A 74 12.078 -4.444 -7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.995 -7.046 -6.935 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.312 -6.058 -5.523 1.00 0.00 H new ATOM 1142 N ILE A 75 10.923 -5.816 -4.780 1.00 0.00 N ATOM 1143 CA ILE A 75 9.561 -5.899 -4.259 1.00 0.00 C ATOM 1144 C ILE A 75 8.959 -4.499 -4.109 1.00 0.00 C ATOM 1145 O ILE A 75 9.450 -3.674 -3.340 1.00 0.00 O ATOM 1146 CB ILE A 75 9.503 -6.704 -2.916 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.259 -5.810 -1.689 1.00 0.00 C ATOM 1148 CG2 ILE A 75 10.778 -7.510 -2.717 1.00 0.00 C ATOM 1149 CD1 ILE A 75 10.449 -4.963 -1.283 1.00 0.00 C ATOM 0 H ILE A 75 11.592 -5.377 -4.147 1.00 0.00 H new ATOM 0 HA ILE A 75 8.956 -6.450 -4.979 1.00 0.00 H new ATOM 0 HB ILE A 75 8.650 -7.377 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.415 -5.153 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.973 -6.440 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.717 -8.061 -1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.898 -8.211 -3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.634 -6.836 -2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.189 -4.364 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.291 -5.611 -1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.724 -4.303 -2.106 1.00 0.00 H new ATOM 1161 N CYS A 76 7.904 -4.233 -4.872 1.00 0.00 N ATOM 1162 CA CYS A 76 7.247 -2.932 -4.843 1.00 0.00 C ATOM 1163 C CYS A 76 6.081 -2.920 -3.862 1.00 0.00 C ATOM 1164 O CYS A 76 5.586 -3.970 -3.462 1.00 0.00 O ATOM 1165 CB CYS A 76 6.750 -2.559 -6.241 1.00 0.00 C ATOM 1166 SG CYS A 76 5.652 -3.787 -6.986 1.00 0.00 S ATOM 0 H CYS A 76 7.486 -4.902 -5.518 1.00 0.00 H new ATOM 0 HA CYS A 76 7.980 -2.197 -4.511 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.226 -1.605 -6.186 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.611 -2.413 -6.894 1.00 0.00 H new ATOM 0 HG CYS A 76 5.274 -4.638 -6.079 1.00 0.00 H new ATOM 1172 N GLY A 77 5.645 -1.724 -3.482 1.00 0.00 N ATOM 1173 CA GLY A 77 4.535 -1.600 -2.557 1.00 0.00 C ATOM 1174 C GLY A 77 3.433 -0.728 -3.111 1.00 0.00 C ATOM 1175 O GLY A 77 3.672 0.069 -4.020 1.00 0.00 O ATOM 0 H GLY A 77 6.041 -0.839 -3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.137 -2.590 -2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.892 -1.180 -1.616 1.00 0.00 H new ATOM 1179 N VAL A 78 2.218 -0.864 -2.579 1.00 0.00 N ATOM 1180 CA VAL A 78 1.110 -0.057 -3.068 1.00 0.00 C ATOM 1181 C VAL A 78 0.426 0.718 -1.945 1.00 0.00 C ATOM 1182 O VAL A 78 0.404 0.288 -0.791 1.00 0.00 O ATOM 1183 CB VAL A 78 0.067 -0.908 -3.832 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -1.162 -0.089 -4.205 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.701 -1.538 -5.065 1.00 0.00 C ATOM 0 H VAL A 78 1.983 -1.511 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 78 1.544 0.661 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.268 -1.705 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.871 -0.720 -4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.631 0.297 -3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.865 0.743 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.044 -2.134 -5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.072 -0.753 -5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.529 -2.178 -4.761 1.00 0.00 H new ATOM 1195 N LEU A 79 -0.125 1.873 -2.308 1.00 0.00 N ATOM 1196 CA LEU A 79 -0.813 2.743 -1.363 1.00 0.00 C ATOM 1197 C LEU A 79 -2.139 3.231 -1.946 1.00 0.00 C ATOM 1198 O LEU A 79 -2.152 4.103 -2.811 1.00 0.00 O ATOM 1199 CB LEU A 79 0.084 3.940 -1.033 1.00 0.00 C ATOM 1200 CG LEU A 79 -0.214 4.640 0.291 1.00 0.00 C ATOM 1201 CD1 LEU A 79 0.622 5.904 0.431 1.00 0.00 C ATOM 1202 CD2 LEU A 79 -1.693 4.972 0.392 1.00 0.00 C ATOM 0 H LEU A 79 -0.107 2.230 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.025 2.181 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.120 3.602 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.004 4.670 -1.838 1.00 0.00 H new ATOM 0 HG LEU A 79 0.049 3.963 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.394 6.387 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.680 5.645 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.391 6.586 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.890 5.471 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.975 5.631 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.277 4.053 0.337 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.255 2.672 -1.477 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.567 3.079 -1.984 1.00 0.00 C ATOM 1216 C ILE A 80 -5.290 4.010 -1.012 1.00 0.00 C ATOM 1217 O ILE A 80 -5.546 3.656 0.137 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.494 1.879 -2.314 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.896 0.556 -1.841 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -5.768 1.819 -3.810 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -5.733 -0.647 -2.226 1.00 0.00 C ATOM 0 H ILE A 80 -3.279 1.948 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.357 3.611 -2.912 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.432 2.033 -1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.897 0.445 -2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.785 0.582 -0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.419 0.972 -4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.254 2.741 -4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.827 1.700 -4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.254 -1.555 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.725 -0.557 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.823 -0.695 -3.311 1.00 0.00 H new ATOM 1233 N THR A 81 -5.626 5.201 -1.498 1.00 0.00 N ATOM 1234 CA THR A 81 -6.332 6.194 -0.694 1.00 0.00 C ATOM 1235 C THR A 81 -7.311 6.979 -1.564 1.00 0.00 C ATOM 1236 O THR A 81 -7.494 6.655 -2.731 1.00 0.00 O ATOM 1237 CB THR A 81 -5.340 7.134 0.000 1.00 0.00 C ATOM 1238 OG1 THR A 81 -5.976 8.333 0.400 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.155 7.509 -0.859 1.00 0.00 C ATOM 0 H THR A 81 -5.419 5.503 -2.450 1.00 0.00 H new ATOM 0 HA THR A 81 -6.899 5.676 0.079 1.00 0.00 H new ATOM 0 HB THR A 81 -4.976 6.572 0.860 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.457 8.755 1.116 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.497 8.176 -0.301 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.608 6.608 -1.137 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.504 8.014 -1.760 1.00 0.00 H new ATOM 1247 N ASP A 82 -7.949 8.002 -0.998 1.00 0.00 N ATOM 1248 CA ASP A 82 -8.916 8.803 -1.743 1.00 0.00 C ATOM 1249 C ASP A 82 -8.227 9.887 -2.565 1.00 0.00 C ATOM 1250 O ASP A 82 -7.046 10.175 -2.370 1.00 0.00 O ATOM 1251 CB ASP A 82 -9.926 9.441 -0.787 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.272 9.681 -1.441 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -11.332 10.475 -2.404 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -12.267 9.075 -0.991 1.00 0.00 O ATOM 0 H ASP A 82 -7.814 8.294 -0.030 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.439 8.136 -2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.057 8.795 0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.528 10.388 -0.423 1.00 0.00 H new ATOM 1259 N LYS A 83 -8.980 10.489 -3.483 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.450 11.546 -4.336 1.00 0.00 C ATOM 1261 C LYS A 83 -7.937 12.714 -3.496 1.00 0.00 C ATOM 1262 O LYS A 83 -7.071 13.471 -3.933 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.524 12.034 -5.309 1.00 0.00 C ATOM 1264 CG LYS A 83 -10.010 10.958 -6.266 1.00 0.00 C ATOM 1265 CD LYS A 83 -11.392 11.280 -6.812 1.00 0.00 C ATOM 1266 CE LYS A 83 -11.385 12.570 -7.616 1.00 0.00 C ATOM 1267 NZ LYS A 83 -12.483 12.603 -8.622 1.00 0.00 N ATOM 0 H LYS A 83 -9.959 10.261 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.616 11.136 -4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.373 12.413 -4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.128 12.870 -5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.305 10.859 -7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.036 9.997 -5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.736 10.459 -7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.099 11.368 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.486 13.419 -6.940 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.426 12.677 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.444 13.499 -9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.373 11.807 -9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.400 12.526 -8.138 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.470 12.846 -2.281 1.00 0.00 N ATOM 1282 CA GLN A 84 -8.057 13.910 -1.373 1.00 0.00 C ATOM 1283 C GLN A 84 -6.876 13.454 -0.525 1.00 0.00 C ATOM 1284 O GLN A 84 -6.805 13.733 0.673 1.00 0.00 O ATOM 1285 CB GLN A 84 -9.223 14.324 -0.472 1.00 0.00 C ATOM 1286 CG GLN A 84 -10.407 14.898 -1.234 1.00 0.00 C ATOM 1287 CD GLN A 84 -11.604 13.968 -1.240 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -11.560 12.884 -1.821 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -12.684 14.389 -0.591 1.00 0.00 N ATOM 0 H GLN A 84 -9.189 12.228 -1.905 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.750 14.771 -1.967 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.555 13.457 0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.871 15.064 0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.694 15.850 -0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -10.107 15.105 -2.261 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.677 15.295 -0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.520 13.806 -0.561 1.00 0.00 H new ATOM 1298 N TYR A 85 -5.954 12.742 -1.162 1.00 0.00 N ATOM 1299 CA TYR A 85 -4.770 12.224 -0.501 1.00 0.00 C ATOM 1300 C TYR A 85 -3.553 12.449 -1.390 1.00 0.00 C ATOM 1301 O TYR A 85 -3.089 11.533 -2.067 1.00 0.00 O ATOM 1302 CB TYR A 85 -4.962 10.733 -0.225 1.00 0.00 C ATOM 1303 CG TYR A 85 -3.953 10.129 0.725 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -2.679 9.788 0.292 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.284 9.879 2.051 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -1.762 9.218 1.154 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.374 9.308 2.919 1.00 0.00 C ATOM 1308 CZ TYR A 85 -2.113 8.980 2.464 1.00 0.00 C ATOM 1309 OH TYR A 85 -1.201 8.411 3.322 1.00 0.00 O ATOM 0 H TYR A 85 -6.010 12.509 -2.153 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.613 12.743 0.445 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.961 10.579 0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.917 10.194 -1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.400 9.971 -0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.270 10.136 2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.774 8.960 0.802 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.647 9.119 3.947 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.428 9.006 3.419 1.00 0.00 H new ATOM 1319 N PRO A 86 -3.035 13.688 -1.415 1.00 0.00 N ATOM 1320 CA PRO A 86 -1.882 14.062 -2.234 1.00 0.00 C ATOM 1321 C PRO A 86 -0.827 12.961 -2.334 1.00 0.00 C ATOM 1322 O PRO A 86 -0.693 12.129 -1.437 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.335 15.270 -1.489 1.00 0.00 C ATOM 1324 CG PRO A 86 -2.544 15.936 -0.924 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.548 14.843 -0.649 1.00 0.00 C ATOM 0 HA PRO A 86 -2.158 14.254 -3.271 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.642 14.971 -0.703 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.790 15.936 -2.158 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.298 16.475 -0.009 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.948 16.666 -1.625 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.613 14.619 0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.548 15.127 -0.977 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.091 12.963 -3.441 1.00 0.00 N ATOM 1334 CA VAL A 87 0.949 11.969 -3.678 1.00 0.00 C ATOM 1335 C VAL A 87 2.226 12.288 -2.901 1.00 0.00 C ATOM 1336 O VAL A 87 3.003 11.390 -2.578 1.00 0.00 O ATOM 1337 CB VAL A 87 1.292 11.860 -5.177 1.00 0.00 C ATOM 1338 CG1 VAL A 87 2.258 10.711 -5.424 1.00 0.00 C ATOM 1339 CG2 VAL A 87 0.027 11.687 -6.005 1.00 0.00 C ATOM 0 H VAL A 87 -0.197 13.646 -4.191 1.00 0.00 H new ATOM 0 HA VAL A 87 0.549 11.017 -3.328 1.00 0.00 H new ATOM 0 HB VAL A 87 1.778 12.786 -5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.488 10.651 -6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.177 10.882 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.802 9.776 -5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.290 11.612 -7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.490 10.779 -5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.627 12.546 -5.854 1.00 0.00 H new ATOM 1349 N ARG A 88 2.447 13.570 -2.613 1.00 0.00 N ATOM 1350 CA ARG A 88 3.645 13.989 -1.888 1.00 0.00 C ATOM 1351 C ARG A 88 3.793 13.219 -0.580 1.00 0.00 C ATOM 1352 O ARG A 88 4.826 12.591 -0.341 1.00 0.00 O ATOM 1353 CB ARG A 88 3.628 15.496 -1.625 1.00 0.00 C ATOM 1354 CG ARG A 88 3.214 16.312 -2.837 1.00 0.00 C ATOM 1355 CD ARG A 88 2.094 17.286 -2.503 1.00 0.00 C ATOM 1356 NE ARG A 88 2.602 18.536 -1.945 1.00 0.00 N ATOM 1357 CZ ARG A 88 3.328 19.414 -2.633 1.00 0.00 C ATOM 1358 NH1 ARG A 88 3.632 19.184 -3.904 1.00 0.00 N ATOM 1359 NH2 ARG A 88 3.750 20.527 -2.049 1.00 0.00 N ATOM 0 H ARG A 88 1.818 14.331 -2.868 1.00 0.00 H new ATOM 0 HA ARG A 88 4.507 13.762 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.944 15.707 -0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.620 15.813 -1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.075 16.863 -3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.889 15.642 -3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.519 17.499 -3.404 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.411 16.822 -1.791 1.00 0.00 H new ATOM 0 HE ARG A 88 2.388 18.749 -0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.309 18.330 -4.359 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.189 19.861 -4.426 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.518 20.710 -1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.306 21.200 -2.576 1.00 0.00 H new ATOM 1373 N PRO A 89 2.761 13.224 0.282 1.00 0.00 N ATOM 1374 CA PRO A 89 2.805 12.491 1.542 1.00 0.00 C ATOM 1375 C PRO A 89 2.824 10.996 1.286 1.00 0.00 C ATOM 1376 O PRO A 89 3.388 10.228 2.064 1.00 0.00 O ATOM 1377 CB PRO A 89 1.522 12.908 2.274 1.00 0.00 C ATOM 1378 CG PRO A 89 0.981 14.070 1.505 1.00 0.00 C ATOM 1379 CD PRO A 89 1.472 13.904 0.095 1.00 0.00 C ATOM 0 HA PRO A 89 3.699 12.712 2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.804 12.089 2.304 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.732 13.185 3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.108 14.086 1.539 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.327 15.013 1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.784 13.310 -0.506 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.589 14.863 -0.409 1.00 0.00 H new ATOM 1387 N ALA A 90 2.242 10.594 0.161 1.00 0.00 N ATOM 1388 CA ALA A 90 2.241 9.196 -0.219 1.00 0.00 C ATOM 1389 C ALA A 90 3.661 8.796 -0.563 1.00 0.00 C ATOM 1390 O ALA A 90 4.064 7.653 -0.369 1.00 0.00 O ATOM 1391 CB ALA A 90 1.303 8.949 -1.390 1.00 0.00 C ATOM 0 H ALA A 90 1.770 11.215 -0.496 1.00 0.00 H new ATOM 0 HA ALA A 90 1.879 8.588 0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.322 7.892 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.289 9.235 -1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.625 9.543 -2.246 1.00 0.00 H new ATOM 1397 N TYR A 91 4.433 9.771 -1.039 1.00 0.00 N ATOM 1398 CA TYR A 91 5.825 9.539 -1.361 1.00 0.00 C ATOM 1399 C TYR A 91 6.581 9.315 -0.060 1.00 0.00 C ATOM 1400 O TYR A 91 7.398 8.398 0.057 1.00 0.00 O ATOM 1401 CB TYR A 91 6.412 10.731 -2.121 1.00 0.00 C ATOM 1402 CG TYR A 91 7.510 10.357 -3.090 1.00 0.00 C ATOM 1403 CD1 TYR A 91 8.526 9.485 -2.718 1.00 0.00 C ATOM 1404 CD2 TYR A 91 7.534 10.879 -4.377 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.533 9.144 -3.602 1.00 0.00 C ATOM 1406 CE2 TYR A 91 8.537 10.542 -5.266 1.00 0.00 C ATOM 1407 CZ TYR A 91 9.534 9.675 -4.874 1.00 0.00 C ATOM 1408 OH TYR A 91 10.534 9.337 -5.756 1.00 0.00 O ATOM 0 H TYR A 91 4.112 10.724 -1.207 1.00 0.00 H new ATOM 0 HA TYR A 91 5.915 8.663 -2.004 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.612 11.230 -2.668 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.804 11.450 -1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.529 9.067 -1.722 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.756 11.560 -4.688 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.315 8.465 -3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.540 10.956 -6.263 1.00 0.00 H new ATOM 0 HH TYR A 91 10.387 9.796 -6.609 1.00 0.00 H new ATOM 1418 N THR A 92 6.271 10.149 0.933 1.00 0.00 N ATOM 1419 CA THR A 92 6.889 10.032 2.241 1.00 0.00 C ATOM 1420 C THR A 92 6.522 8.693 2.864 1.00 0.00 C ATOM 1421 O THR A 92 7.377 7.982 3.395 1.00 0.00 O ATOM 1422 CB THR A 92 6.429 11.168 3.151 1.00 0.00 C ATOM 1423 OG1 THR A 92 6.442 12.403 2.458 1.00 0.00 O ATOM 1424 CG2 THR A 92 7.281 11.325 4.391 1.00 0.00 C ATOM 0 H THR A 92 5.596 10.909 0.850 1.00 0.00 H new ATOM 0 HA THR A 92 7.971 10.094 2.124 1.00 0.00 H new ATOM 0 HB THR A 92 5.418 10.900 3.458 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.142 13.118 3.058 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.899 12.150 4.993 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.248 10.405 4.974 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.311 11.534 4.101 1.00 0.00 H new ATOM 1432 N LEU A 93 5.239 8.353 2.781 1.00 0.00 N ATOM 1433 CA LEU A 93 4.750 7.095 3.322 1.00 0.00 C ATOM 1434 C LEU A 93 5.399 5.931 2.605 1.00 0.00 C ATOM 1435 O LEU A 93 5.933 5.016 3.234 1.00 0.00 O ATOM 1436 CB LEU A 93 3.225 7.002 3.201 1.00 0.00 C ATOM 1437 CG LEU A 93 2.598 5.743 3.809 1.00 0.00 C ATOM 1438 CD1 LEU A 93 1.103 5.934 4.009 1.00 0.00 C ATOM 1439 CD2 LEU A 93 2.865 4.527 2.932 1.00 0.00 C ATOM 0 H LEU A 93 4.522 8.932 2.344 1.00 0.00 H new ATOM 0 HA LEU A 93 5.013 7.055 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.784 7.876 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.957 7.049 2.146 1.00 0.00 H new ATOM 0 HG LEU A 93 3.059 5.571 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.675 5.030 4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.930 6.774 4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.630 6.135 3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.410 3.645 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.436 4.690 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.940 4.374 2.840 1.00 0.00 H new ATOM 1451 N LEU A 94 5.364 5.976 1.284 1.00 0.00 N ATOM 1452 CA LEU A 94 5.964 4.930 0.485 1.00 0.00 C ATOM 1453 C LEU A 94 7.474 4.907 0.695 1.00 0.00 C ATOM 1454 O LEU A 94 8.148 3.936 0.342 1.00 0.00 O ATOM 1455 CB LEU A 94 5.625 5.116 -0.993 1.00 0.00 C ATOM 1456 CG LEU A 94 4.361 4.387 -1.449 1.00 0.00 C ATOM 1457 CD1 LEU A 94 4.551 2.878 -1.364 1.00 0.00 C ATOM 1458 CD2 LEU A 94 3.164 4.820 -0.615 1.00 0.00 C ATOM 0 H LEU A 94 4.927 6.725 0.747 1.00 0.00 H new ATOM 0 HA LEU A 94 5.555 3.972 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.508 6.181 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.466 4.768 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 94 4.171 4.651 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.640 2.378 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.381 2.579 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.768 2.596 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.274 4.291 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.348 4.586 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.012 5.894 -0.726 1.00 0.00 H new ATOM 1470 N ASN A 95 8.003 5.977 1.292 1.00 0.00 N ATOM 1471 CA ASN A 95 9.431 6.057 1.563 1.00 0.00 C ATOM 1472 C ASN A 95 9.784 5.187 2.762 1.00 0.00 C ATOM 1473 O ASN A 95 10.719 4.385 2.714 1.00 0.00 O ATOM 1474 CB ASN A 95 9.846 7.507 1.821 1.00 0.00 C ATOM 1475 CG ASN A 95 11.051 7.919 0.997 1.00 0.00 C ATOM 1476 OD1 ASN A 95 10.961 8.076 -0.220 1.00 0.00 O ATOM 1477 ND2 ASN A 95 12.188 8.096 1.660 1.00 0.00 N ATOM 0 H ASN A 95 7.466 6.790 1.593 1.00 0.00 H new ATOM 0 HA ASN A 95 9.973 5.693 0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.010 8.168 1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 95 10.072 7.634 2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 95 13.032 8.373 1.159 1.00 0.00 H new ATOM 0 HD22 ASN A 95 12.217 7.955 2.670 1.00 0.00 H new ATOM 1484 N LYS A 96 9.019 5.348 3.837 1.00 0.00 N ATOM 1485 CA LYS A 96 9.236 4.580 5.055 1.00 0.00 C ATOM 1486 C LYS A 96 8.770 3.136 4.881 1.00 0.00 C ATOM 1487 O LYS A 96 9.341 2.221 5.470 1.00 0.00 O ATOM 1488 CB LYS A 96 8.502 5.230 6.229 1.00 0.00 C ATOM 1489 CG LYS A 96 9.304 6.324 6.916 1.00 0.00 C ATOM 1490 CD LYS A 96 10.131 5.771 8.065 1.00 0.00 C ATOM 1491 CE LYS A 96 11.070 6.822 8.636 1.00 0.00 C ATOM 1492 NZ LYS A 96 11.144 6.752 10.121 1.00 0.00 N ATOM 0 H LYS A 96 8.241 6.006 3.888 1.00 0.00 H new ATOM 0 HA LYS A 96 10.306 4.572 5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.562 5.650 5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.250 4.462 6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.962 6.804 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.627 7.092 7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.467 5.410 8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.710 4.915 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.066 6.685 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.731 7.813 8.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.794 7.484 10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.198 6.908 10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.492 5.815 10.407 1.00 0.00 H new ATOM 1506 N ILE A 97 7.730 2.939 4.073 1.00 0.00 N ATOM 1507 CA ILE A 97 7.192 1.611 3.826 1.00 0.00 C ATOM 1508 C ILE A 97 8.207 0.734 3.097 1.00 0.00 C ATOM 1509 O ILE A 97 8.585 -0.327 3.586 1.00 0.00 O ATOM 1510 CB ILE A 97 5.873 1.709 3.030 1.00 0.00 C ATOM 1511 CG1 ILE A 97 4.981 0.511 3.270 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.108 1.875 1.537 1.00 0.00 C ATOM 1513 CD1 ILE A 97 3.671 0.636 2.540 1.00 0.00 C ATOM 0 H ILE A 97 7.245 3.688 3.579 1.00 0.00 H new ATOM 0 HA ILE A 97 6.981 1.141 4.787 1.00 0.00 H new ATOM 0 HB ILE A 97 5.370 2.603 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.493 -0.395 2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.793 0.406 4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.149 1.939 1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.678 2.787 1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.666 1.018 1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.059 -0.244 2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.147 1.528 2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.857 0.715 1.469 1.00 0.00 H new ATOM 1525 N LEU A 98 8.661 1.185 1.937 1.00 0.00 N ATOM 1526 CA LEU A 98 9.644 0.432 1.172 1.00 0.00 C ATOM 1527 C LEU A 98 10.927 0.287 1.982 1.00 0.00 C ATOM 1528 O LEU A 98 11.565 -0.766 1.977 1.00 0.00 O ATOM 1529 CB LEU A 98 9.922 1.118 -0.170 1.00 0.00 C ATOM 1530 CG LEU A 98 9.342 0.403 -1.396 1.00 0.00 C ATOM 1531 CD1 LEU A 98 7.927 -0.088 -1.120 1.00 0.00 C ATOM 1532 CD2 LEU A 98 9.357 1.327 -2.603 1.00 0.00 C ATOM 0 H LEU A 98 8.367 2.062 1.507 1.00 0.00 H new ATOM 0 HA LEU A 98 9.247 -0.562 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.519 2.130 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.001 1.209 -0.298 1.00 0.00 H new ATOM 0 HG LEU A 98 9.966 -0.464 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.538 -0.592 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.941 -0.785 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.289 0.761 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.942 0.805 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.757 2.212 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.382 1.627 -2.819 1.00 0.00 H new ATOM 1544 N ASP A 99 11.276 1.343 2.710 1.00 0.00 N ATOM 1545 CA ASP A 99 12.458 1.321 3.557 1.00 0.00 C ATOM 1546 C ASP A 99 12.207 0.401 4.744 1.00 0.00 C ATOM 1547 O ASP A 99 13.132 -0.187 5.304 1.00 0.00 O ATOM 1548 CB ASP A 99 12.800 2.730 4.041 1.00 0.00 C ATOM 1549 CG ASP A 99 13.551 3.533 2.997 1.00 0.00 C ATOM 1550 OD1 ASP A 99 14.490 2.983 2.387 1.00 0.00 O ATOM 1551 OD2 ASP A 99 13.199 4.714 2.791 1.00 0.00 O ATOM 0 H ASP A 99 10.757 2.221 2.729 1.00 0.00 H new ATOM 0 HA ASP A 99 13.304 0.948 2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.881 3.253 4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.402 2.664 4.947 1.00 0.00 H new ATOM 1556 N GLU A 100 10.934 0.279 5.108 1.00 0.00 N ATOM 1557 CA GLU A 100 10.524 -0.571 6.211 1.00 0.00 C ATOM 1558 C GLU A 100 10.617 -2.036 5.803 1.00 0.00 C ATOM 1559 O GLU A 100 11.334 -2.817 6.428 1.00 0.00 O ATOM 1560 CB GLU A 100 9.102 -0.214 6.644 1.00 0.00 C ATOM 1561 CG GLU A 100 8.450 -1.258 7.539 1.00 0.00 C ATOM 1562 CD GLU A 100 9.157 -1.407 8.872 1.00 0.00 C ATOM 1563 OE1 GLU A 100 9.892 -0.476 9.261 1.00 0.00 O ATOM 1564 OE2 GLU A 100 8.977 -2.456 9.526 1.00 0.00 O ATOM 0 H GLU A 100 10.165 0.765 4.647 1.00 0.00 H new ATOM 0 HA GLU A 100 11.191 -0.409 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.122 0.740 7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.486 -0.075 5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.409 -0.984 7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.445 -2.219 7.025 1.00 0.00 H new ATOM 1571 N TYR A 101 9.909 -2.403 4.734 1.00 0.00 N ATOM 1572 CA TYR A 101 9.951 -3.773 4.241 1.00 0.00 C ATOM 1573 C TYR A 101 11.400 -4.194 4.029 1.00 0.00 C ATOM 1574 O TYR A 101 11.747 -5.368 4.147 1.00 0.00 O ATOM 1575 CB TYR A 101 9.176 -3.920 2.933 1.00 0.00 C ATOM 1576 CG TYR A 101 8.936 -5.366 2.558 1.00 0.00 C ATOM 1577 CD1 TYR A 101 7.840 -6.060 3.055 1.00 0.00 C ATOM 1578 CD2 TYR A 101 9.812 -6.041 1.718 1.00 0.00 C ATOM 1579 CE1 TYR A 101 7.622 -7.384 2.724 1.00 0.00 C ATOM 1580 CE2 TYR A 101 9.603 -7.367 1.383 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.506 -8.033 1.889 1.00 0.00 C ATOM 1582 OH TYR A 101 8.294 -9.351 1.558 1.00 0.00 O ATOM 0 H TYR A 101 9.307 -1.776 4.200 1.00 0.00 H new ATOM 0 HA TYR A 101 9.481 -4.416 4.985 1.00 0.00 H new ATOM 0 HB2 TYR A 101 8.218 -3.408 3.023 1.00 0.00 H new ATOM 0 HB3 TYR A 101 9.726 -3.427 2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.146 -5.556 3.712 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.671 -5.522 1.319 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.763 -7.908 3.118 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.295 -7.878 0.729 1.00 0.00 H new ATOM 0 HH TYR A 101 7.479 -9.672 1.998 1.00 0.00 H new ATOM 1592 N LEU A 102 12.239 -3.209 3.710 1.00 0.00 N ATOM 1593 CA LEU A 102 13.656 -3.444 3.474 1.00 0.00 C ATOM 1594 C LEU A 102 14.411 -3.659 4.783 1.00 0.00 C ATOM 1595 O LEU A 102 15.364 -4.434 4.839 1.00 0.00 O ATOM 1596 CB LEU A 102 14.260 -2.256 2.721 1.00 0.00 C ATOM 1597 CG LEU A 102 14.261 -2.373 1.196 1.00 0.00 C ATOM 1598 CD1 LEU A 102 12.924 -2.900 0.687 1.00 0.00 C ATOM 1599 CD2 LEU A 102 14.578 -1.025 0.565 1.00 0.00 C ATOM 0 H LEU A 102 11.955 -2.235 3.609 1.00 0.00 H new ATOM 0 HA LEU A 102 13.752 -4.349 2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.711 -1.356 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.288 -2.119 3.058 1.00 0.00 H new ATOM 0 HG LEU A 102 15.034 -3.085 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.952 -2.973 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.736 -3.886 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.127 -2.218 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 102 14.576 -1.122 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.825 -0.296 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 102 15.561 -0.690 0.897 1.00 0.00 H new ATOM 1611 N VAL A 103 13.993 -2.957 5.833 1.00 0.00 N ATOM 1612 CA VAL A 103 14.649 -3.069 7.132 1.00 0.00 C ATOM 1613 C VAL A 103 14.435 -4.444 7.750 1.00 0.00 C ATOM 1614 O VAL A 103 15.384 -5.077 8.213 1.00 0.00 O ATOM 1615 CB VAL A 103 14.154 -1.996 8.120 1.00 0.00 C ATOM 1616 CG1 VAL A 103 14.415 -2.437 9.554 1.00 0.00 C ATOM 1617 CG2 VAL A 103 14.820 -0.657 7.834 1.00 0.00 C ATOM 0 H VAL A 103 13.207 -2.308 5.810 1.00 0.00 H new ATOM 0 HA VAL A 103 15.713 -2.918 6.948 1.00 0.00 H new ATOM 0 HB VAL A 103 13.079 -1.873 7.990 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.060 -1.669 10.241 1.00 0.00 H new ATOM 0 HG12 VAL A 103 13.887 -3.371 9.749 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.485 -2.588 9.699 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.458 0.088 8.542 1.00 0.00 H new ATOM 0 HG22 VAL A 103 15.900 -0.759 7.936 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.579 -0.340 6.819 1.00 0.00 H new ATOM 1627 N ALA A 104 13.186 -4.901 7.761 1.00 0.00 N ATOM 1628 CA ALA A 104 12.852 -6.203 8.330 1.00 0.00 C ATOM 1629 C ALA A 104 13.834 -7.280 7.871 1.00 0.00 C ATOM 1630 O ALA A 104 13.962 -8.328 8.504 1.00 0.00 O ATOM 1631 CB ALA A 104 11.430 -6.591 7.956 1.00 0.00 C ATOM 0 H ALA A 104 12.389 -4.389 7.383 1.00 0.00 H new ATOM 0 HA ALA A 104 12.926 -6.124 9.415 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.193 -7.564 8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.736 -5.845 8.342 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.340 -6.643 6.871 1.00 0.00 H new ATOM 1637 N HIS A 105 14.523 -7.013 6.764 1.00 0.00 N ATOM 1638 CA HIS A 105 15.486 -7.950 6.216 1.00 0.00 C ATOM 1639 C HIS A 105 16.245 -7.321 5.049 1.00 0.00 C ATOM 1640 O HIS A 105 15.634 -6.762 4.139 1.00 0.00 O ATOM 1641 CB HIS A 105 14.777 -9.226 5.750 1.00 0.00 C ATOM 1642 CG HIS A 105 13.433 -8.987 5.122 1.00 0.00 C ATOM 1643 ND1 HIS A 105 12.637 -10.009 4.648 1.00 0.00 N ATOM 1644 CD2 HIS A 105 12.743 -7.839 4.891 1.00 0.00 C ATOM 1645 CE1 HIS A 105 11.521 -9.504 4.154 1.00 0.00 C ATOM 1646 NE2 HIS A 105 11.561 -8.191 4.289 1.00 0.00 N ATOM 0 H HIS A 105 14.428 -6.149 6.230 1.00 0.00 H new ATOM 0 HA HIS A 105 16.200 -8.205 6.999 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.415 -9.742 5.032 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.654 -9.893 6.604 1.00 0.00 H new ATOM 0 HD2 HIS A 105 13.065 -6.837 5.135 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.713 -10.069 3.714 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.831 -7.543 3.993 1.00 0.00 H new ATOM 1655 N PRO A 106 17.594 -7.392 5.065 1.00 0.00 N ATOM 1656 CA PRO A 106 18.443 -6.826 4.015 1.00 0.00 C ATOM 1657 C PRO A 106 17.826 -6.910 2.616 1.00 0.00 C ATOM 1658 O PRO A 106 16.911 -7.695 2.366 1.00 0.00 O ATOM 1659 CB PRO A 106 19.698 -7.684 4.109 1.00 0.00 C ATOM 1660 CG PRO A 106 19.809 -8.027 5.559 1.00 0.00 C ATOM 1661 CD PRO A 106 18.405 -8.024 6.124 1.00 0.00 C ATOM 0 HA PRO A 106 18.612 -5.759 4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.613 -8.580 3.495 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.577 -7.141 3.761 1.00 0.00 H new ATOM 0 HG2 PRO A 106 20.275 -9.004 5.689 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.436 -7.303 6.080 1.00 0.00 H new ATOM 0 HD2 PRO A 106 18.060 -9.035 6.341 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.351 -7.462 7.056 1.00 0.00 H new ATOM 1669 N LYS A 107 18.331 -6.069 1.721 1.00 0.00 N ATOM 1670 CA LYS A 107 17.841 -5.989 0.346 1.00 0.00 C ATOM 1671 C LYS A 107 17.585 -7.359 -0.292 1.00 0.00 C ATOM 1672 O LYS A 107 16.460 -7.667 -0.683 1.00 0.00 O ATOM 1673 CB LYS A 107 18.830 -5.198 -0.512 1.00 0.00 C ATOM 1674 CG LYS A 107 18.470 -3.728 -0.655 1.00 0.00 C ATOM 1675 CD LYS A 107 19.593 -2.824 -0.170 1.00 0.00 C ATOM 1676 CE LYS A 107 20.372 -2.229 -1.331 1.00 0.00 C ATOM 1677 NZ LYS A 107 21.616 -1.549 -0.877 1.00 0.00 N ATOM 0 H LYS A 107 19.092 -5.422 1.926 1.00 0.00 H new ATOM 0 HA LYS A 107 16.878 -5.479 0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 107 19.825 -5.279 -0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 107 18.881 -5.649 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 107 18.250 -3.507 -1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.563 -3.518 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 107 19.178 -2.022 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 107 20.269 -3.393 0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 107 20.627 -3.018 -2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 107 19.742 -1.516 -1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 22.117 -1.157 -1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 21.372 -0.779 -0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 22.229 -2.235 -0.392 1.00 0.00 H new ATOM 1691 N GLU A 108 18.634 -8.159 -0.435 1.00 0.00 N ATOM 1692 CA GLU A 108 18.511 -9.471 -1.073 1.00 0.00 C ATOM 1693 C GLU A 108 17.665 -10.449 -0.260 1.00 0.00 C ATOM 1694 O GLU A 108 17.013 -11.325 -0.826 1.00 0.00 O ATOM 1695 CB GLU A 108 19.897 -10.068 -1.322 1.00 0.00 C ATOM 1696 CG GLU A 108 19.907 -11.156 -2.382 1.00 0.00 C ATOM 1697 CD GLU A 108 20.070 -10.603 -3.784 1.00 0.00 C ATOM 1698 OE1 GLU A 108 19.078 -10.085 -4.337 1.00 0.00 O ATOM 1699 OE2 GLU A 108 21.190 -10.690 -4.331 1.00 0.00 O ATOM 0 H GLU A 108 19.576 -7.927 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 108 17.997 -9.313 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.578 -9.272 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.280 -10.478 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 108 20.719 -11.853 -2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 108 18.977 -11.722 -2.325 1.00 0.00 H new ATOM 1706 N GLU A 109 17.680 -10.313 1.061 1.00 0.00 N ATOM 1707 CA GLU A 109 16.913 -11.211 1.923 1.00 0.00 C ATOM 1708 C GLU A 109 15.471 -11.339 1.447 1.00 0.00 C ATOM 1709 O GLU A 109 14.851 -12.393 1.593 1.00 0.00 O ATOM 1710 CB GLU A 109 16.946 -10.718 3.364 1.00 0.00 C ATOM 1711 CG GLU A 109 18.343 -10.689 3.944 1.00 0.00 C ATOM 1712 CD GLU A 109 18.625 -11.870 4.852 1.00 0.00 C ATOM 1713 OE1 GLU A 109 17.694 -12.313 5.557 1.00 0.00 O ATOM 1714 OE2 GLU A 109 19.777 -12.353 4.857 1.00 0.00 O ATOM 0 H GLU A 109 18.210 -9.596 1.557 1.00 0.00 H new ATOM 0 HA GLU A 109 17.375 -12.197 1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.518 -9.717 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.316 -11.362 3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 109 19.069 -10.680 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.480 -9.764 4.505 1.00 0.00 H new ATOM 1721 N TRP A 110 14.950 -10.271 0.860 1.00 0.00 N ATOM 1722 CA TRP A 110 13.592 -10.278 0.345 1.00 0.00 C ATOM 1723 C TRP A 110 13.611 -10.290 -1.172 1.00 0.00 C ATOM 1724 O TRP A 110 12.684 -10.801 -1.792 1.00 0.00 O ATOM 1725 CB TRP A 110 12.800 -9.069 0.851 1.00 0.00 C ATOM 1726 CG TRP A 110 13.537 -7.768 0.760 1.00 0.00 C ATOM 1727 CD1 TRP A 110 14.036 -7.043 1.800 1.00 0.00 C ATOM 1728 CD2 TRP A 110 13.847 -7.027 -0.429 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.634 -5.900 1.335 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.534 -5.867 -0.030 1.00 0.00 C ATOM 1731 CE3 TRP A 110 13.615 -7.233 -1.788 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 14.985 -4.917 -0.944 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.064 -6.293 -2.693 1.00 0.00 C ATOM 1734 CH2 TRP A 110 14.743 -5.146 -2.270 1.00 0.00 C ATOM 0 H TRP A 110 15.448 -9.390 0.730 1.00 0.00 H new ATOM 0 HA TRP A 110 13.098 -11.180 0.706 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.875 -8.990 0.280 1.00 0.00 H new ATOM 0 HB3 TRP A 110 12.519 -9.242 1.890 1.00 0.00 H new ATOM 0 HD1 TRP A 110 13.970 -7.327 2.840 1.00 0.00 H new ATOM 0 HE1 TRP A 110 15.081 -5.189 1.913 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.092 -8.115 -2.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.508 -4.030 -0.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 13.888 -6.446 -3.747 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.082 -4.429 -3.003 1.00 0.00 H new ATOM 1745 N ALA A 111 14.682 -9.725 -1.751 1.00 0.00 N ATOM 1746 CA ALA A 111 14.864 -9.652 -3.211 1.00 0.00 C ATOM 1747 C ALA A 111 13.533 -9.654 -3.957 1.00 0.00 C ATOM 1748 O ALA A 111 13.149 -8.669 -4.587 1.00 0.00 O ATOM 1749 CB ALA A 111 15.732 -10.806 -3.686 1.00 0.00 C ATOM 0 H ALA A 111 15.446 -9.306 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 111 15.360 -8.707 -3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 111 15.861 -10.744 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.706 -10.752 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.252 -11.751 -3.432 1.00 0.00 H new ATOM 1755 N ASP A 112 12.833 -10.772 -3.852 1.00 0.00 N ATOM 1756 CA ASP A 112 11.532 -10.946 -4.476 1.00 0.00 C ATOM 1757 C ASP A 112 10.789 -12.058 -3.770 1.00 0.00 C ATOM 1758 O ASP A 112 10.606 -13.149 -4.310 1.00 0.00 O ATOM 1759 CB ASP A 112 11.674 -11.279 -5.956 1.00 0.00 C ATOM 1760 CG ASP A 112 12.097 -10.082 -6.785 1.00 0.00 C ATOM 1761 OD1 ASP A 112 11.264 -9.173 -6.981 1.00 0.00 O ATOM 1762 OD2 ASP A 112 13.260 -10.054 -7.237 1.00 0.00 O ATOM 0 H ASP A 112 13.153 -11.587 -3.329 1.00 0.00 H new ATOM 0 HA ASP A 112 10.976 -10.012 -4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 112 12.407 -12.077 -6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 112 10.724 -11.659 -6.332 1.00 0.00 H new ATOM 1767 N VAL A 113 10.380 -11.777 -2.547 1.00 0.00 N ATOM 1768 CA VAL A 113 9.679 -12.750 -1.746 1.00 0.00 C ATOM 1769 C VAL A 113 8.404 -13.206 -2.414 1.00 0.00 C ATOM 1770 O VAL A 113 7.448 -12.443 -2.546 1.00 0.00 O ATOM 1771 CB VAL A 113 9.311 -12.215 -0.357 1.00 0.00 C ATOM 1772 CG1 VAL A 113 9.245 -13.365 0.623 1.00 0.00 C ATOM 1773 CG2 VAL A 113 10.297 -11.164 0.120 1.00 0.00 C ATOM 0 H VAL A 113 10.524 -10.877 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 113 10.371 -13.585 -1.640 1.00 0.00 H new ATOM 0 HB VAL A 113 8.335 -11.734 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.983 -12.986 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.489 -14.079 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 113 10.215 -13.860 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 113 10.002 -10.810 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 113 11.295 -11.599 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.303 -10.327 -0.579 1.00 0.00 H new ATOM 1920 N LYS A 123 4.371 -3.307 11.180 1.00 0.00 N ATOM 1921 CA LYS A 123 3.854 -2.298 12.107 1.00 0.00 C ATOM 1922 C LYS A 123 3.974 -0.895 11.520 1.00 0.00 C ATOM 1923 O LYS A 123 3.154 -0.021 11.800 1.00 0.00 O ATOM 1924 CB LYS A 123 4.604 -2.370 13.439 1.00 0.00 C ATOM 1925 CG LYS A 123 4.113 -1.367 14.471 1.00 0.00 C ATOM 1926 CD LYS A 123 2.854 -1.855 15.170 1.00 0.00 C ATOM 1927 CE LYS A 123 2.433 -0.908 16.284 1.00 0.00 C ATOM 1928 NZ LYS A 123 1.096 -1.261 16.838 1.00 0.00 N ATOM 0 HA LYS A 123 2.798 -2.508 12.276 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.506 -3.376 13.847 1.00 0.00 H new ATOM 0 HB3 LYS A 123 5.666 -2.202 13.258 1.00 0.00 H new ATOM 0 HG2 LYS A 123 4.895 -1.191 15.210 1.00 0.00 H new ATOM 0 HG3 LYS A 123 3.913 -0.412 13.985 1.00 0.00 H new ATOM 0 HD2 LYS A 123 2.046 -1.947 14.444 1.00 0.00 H new ATOM 0 HD3 LYS A 123 3.027 -2.849 15.582 1.00 0.00 H new ATOM 0 HE2 LYS A 123 3.175 -0.934 17.082 1.00 0.00 H new ATOM 0 HE3 LYS A 123 2.410 0.113 15.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.846 -0.592 17.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 0.383 -1.212 16.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 1.124 -2.226 17.225 1.00 0.00 H new ATOM 1942 N GLN A 124 4.997 -0.691 10.702 1.00 0.00 N ATOM 1943 CA GLN A 124 5.228 0.599 10.067 1.00 0.00 C ATOM 1944 C GLN A 124 4.161 0.882 9.019 1.00 0.00 C ATOM 1945 O GLN A 124 3.351 1.797 9.169 1.00 0.00 O ATOM 1946 CB GLN A 124 6.607 0.615 9.420 1.00 0.00 C ATOM 1947 CG GLN A 124 7.567 1.607 10.056 1.00 0.00 C ATOM 1948 CD GLN A 124 8.394 2.356 9.031 1.00 0.00 C ATOM 1949 OE1 GLN A 124 7.991 2.496 7.877 1.00 0.00 O ATOM 1950 NE2 GLN A 124 9.559 2.839 9.448 1.00 0.00 N ATOM 0 H GLN A 124 5.683 -1.406 10.462 1.00 0.00 H new ATOM 0 HA GLN A 124 5.177 1.376 10.830 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.038 -0.384 9.479 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.500 0.854 8.362 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.002 2.322 10.654 1.00 0.00 H new ATOM 0 HG3 GLN A 124 8.233 1.077 10.738 1.00 0.00 H new ATOM 0 HE21 GLN A 124 9.853 2.699 10.415 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.160 3.350 8.802 1.00 0.00 H new ATOM 1959 N LEU A 125 4.165 0.082 7.962 1.00 0.00 N ATOM 1960 CA LEU A 125 3.204 0.222 6.882 1.00 0.00 C ATOM 1961 C LEU A 125 1.783 0.275 7.431 1.00 0.00 C ATOM 1962 O LEU A 125 0.910 0.939 6.869 1.00 0.00 O ATOM 1963 CB LEU A 125 3.358 -0.955 5.919 1.00 0.00 C ATOM 1964 CG LEU A 125 2.165 -1.227 5.007 1.00 0.00 C ATOM 1965 CD1 LEU A 125 2.628 -1.876 3.712 1.00 0.00 C ATOM 1966 CD2 LEU A 125 1.151 -2.106 5.722 1.00 0.00 C ATOM 0 H LEU A 125 4.832 -0.678 7.831 1.00 0.00 H new ATOM 0 HA LEU A 125 3.394 1.155 6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.235 -0.778 5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.558 -1.854 6.502 1.00 0.00 H new ATOM 0 HG LEU A 125 1.685 -0.280 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 125 1.767 -2.064 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.323 -1.211 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.127 -2.819 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.304 -2.294 5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 125 1.617 -3.053 5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.804 -1.602 6.624 1.00 0.00 H new ATOM 1978 N ASP A 126 1.565 -0.426 8.537 1.00 0.00 N ATOM 1979 CA ASP A 126 0.252 -0.464 9.169 1.00 0.00 C ATOM 1980 C ASP A 126 -0.012 0.818 9.947 1.00 0.00 C ATOM 1981 O ASP A 126 -1.000 1.513 9.708 1.00 0.00 O ATOM 1982 CB ASP A 126 0.140 -1.671 10.101 1.00 0.00 C ATOM 1983 CG ASP A 126 0.635 -2.950 9.453 1.00 0.00 C ATOM 1984 OD1 ASP A 126 0.279 -3.198 8.282 1.00 0.00 O ATOM 1985 OD2 ASP A 126 1.379 -3.702 10.117 1.00 0.00 O ATOM 0 H ASP A 126 2.280 -0.975 9.014 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.497 -0.554 8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.714 -1.481 11.008 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.900 -1.798 10.403 1.00 0.00 H new ATOM 1990 N THR A 127 0.884 1.126 10.874 1.00 0.00 N ATOM 1991 CA THR A 127 0.765 2.328 11.689 1.00 0.00 C ATOM 1992 C THR A 127 0.691 3.573 10.813 1.00 0.00 C ATOM 1993 O THR A 127 0.126 4.592 11.211 1.00 0.00 O ATOM 1994 CB THR A 127 1.948 2.435 12.654 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.989 1.318 13.523 1.00 0.00 O ATOM 1996 CG2 THR A 127 1.911 3.681 13.513 1.00 0.00 C ATOM 0 H THR A 127 1.705 0.558 11.081 1.00 0.00 H new ATOM 0 HA THR A 127 -0.158 2.257 12.265 1.00 0.00 H new ATOM 0 HB THR A 127 2.833 2.476 12.020 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.127 0.501 12.999 1.00 0.00 H new ATOM 0 HG21 THR A 127 2.778 3.694 14.173 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.929 4.564 12.874 1.00 0.00 H new ATOM 0 HG23 THR A 127 1.000 3.684 14.111 1.00 0.00 H new ATOM 2004 N TYR A 128 1.276 3.491 9.620 1.00 0.00 N ATOM 2005 CA TYR A 128 1.282 4.619 8.704 1.00 0.00 C ATOM 2006 C TYR A 128 -0.076 4.797 8.038 1.00 0.00 C ATOM 2007 O TYR A 128 -0.678 5.864 8.130 1.00 0.00 O ATOM 2008 CB TYR A 128 2.369 4.437 7.642 1.00 0.00 C ATOM 2009 CG TYR A 128 3.728 4.932 8.085 1.00 0.00 C ATOM 2010 CD1 TYR A 128 4.269 4.537 9.302 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.469 5.796 7.288 1.00 0.00 C ATOM 2012 CE1 TYR A 128 5.508 4.987 9.712 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.710 6.250 7.692 1.00 0.00 C ATOM 2014 CZ TYR A 128 6.225 5.843 8.904 1.00 0.00 C ATOM 2015 OH TYR A 128 7.460 6.295 9.308 1.00 0.00 O ATOM 0 H TYR A 128 1.749 2.658 9.270 1.00 0.00 H new ATOM 0 HA TYR A 128 1.496 5.518 9.282 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.441 3.381 7.384 1.00 0.00 H new ATOM 0 HB3 TYR A 128 2.075 4.967 6.736 1.00 0.00 H new ATOM 0 HD1 TYR A 128 3.711 3.866 9.938 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.069 6.118 6.338 1.00 0.00 H new ATOM 0 HE1 TYR A 128 5.914 4.670 10.661 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.274 6.921 7.061 1.00 0.00 H new ATOM 0 HH TYR A 128 7.676 5.916 10.186 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.558 3.755 7.367 1.00 0.00 N ATOM 2026 CA ILE A 129 -1.839 3.819 6.689 1.00 0.00 C ATOM 2027 C ILE A 129 -2.973 4.164 7.649 1.00 0.00 C ATOM 2028 O ILE A 129 -4.003 4.696 7.236 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.157 2.498 5.976 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.472 2.639 5.201 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.218 1.351 6.976 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.615 1.885 5.820 1.00 0.00 C ATOM 0 H ILE A 129 -0.078 2.859 7.281 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.760 4.615 5.948 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.362 2.268 5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.736 3.695 5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.323 2.285 4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.445 0.423 6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.257 1.257 7.481 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -2.997 1.551 7.712 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.513 2.029 5.220 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.372 0.823 5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.790 2.255 6.830 1.00 0.00 H new ATOM 2044 N SER A 130 -2.784 3.861 8.926 1.00 0.00 N ATOM 2045 CA SER A 130 -3.801 4.147 9.929 1.00 0.00 C ATOM 2046 C SER A 130 -3.719 5.602 10.378 1.00 0.00 C ATOM 2047 O SER A 130 -4.737 6.271 10.548 1.00 0.00 O ATOM 2048 CB SER A 130 -3.636 3.211 11.127 1.00 0.00 C ATOM 2049 OG SER A 130 -4.311 3.714 12.268 1.00 0.00 O ATOM 0 H SER A 130 -1.940 3.419 9.291 1.00 0.00 H new ATOM 0 HA SER A 130 -4.782 3.981 9.485 1.00 0.00 H new ATOM 0 HB2 SER A 130 -4.025 2.224 10.877 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.577 3.088 11.353 1.00 0.00 H new ATOM 0 HG SER A 130 -4.190 3.096 13.019 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.497 6.081 10.567 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.265 7.457 10.996 1.00 0.00 C ATOM 2057 C LYS A 131 -2.270 8.425 9.812 1.00 0.00 C ATOM 2058 O LYS A 131 -2.391 9.634 9.992 1.00 0.00 O ATOM 2059 CB LYS A 131 -0.935 7.552 11.745 1.00 0.00 C ATOM 2060 CG LYS A 131 -0.997 7.047 13.181 1.00 0.00 C ATOM 2061 CD LYS A 131 -1.852 5.794 13.307 1.00 0.00 C ATOM 2062 CE LYS A 131 -1.974 5.342 14.754 1.00 0.00 C ATOM 2063 NZ LYS A 131 -1.640 3.900 14.915 1.00 0.00 N ATOM 0 H LYS A 131 -1.646 5.535 10.430 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.080 7.742 11.662 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -0.182 6.981 11.202 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -0.605 8.591 11.750 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.012 6.835 13.535 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -1.402 7.829 13.823 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -2.845 5.988 12.901 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -1.415 4.993 12.711 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -1.310 5.940 15.378 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -2.990 5.521 15.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -2.376 3.434 15.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -1.588 3.449 13.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -0.722 3.808 15.395 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.115 7.891 8.605 1.00 0.00 N ATOM 2078 CA TYR A 132 -2.086 8.720 7.403 1.00 0.00 C ATOM 2079 C TYR A 132 -3.484 9.095 6.920 1.00 0.00 C ATOM 2080 O TYR A 132 -3.628 9.962 6.058 1.00 0.00 O ATOM 2081 CB TYR A 132 -1.309 8.032 6.282 1.00 0.00 C ATOM 2082 CG TYR A 132 0.092 8.577 6.118 1.00 0.00 C ATOM 2083 CD1 TYR A 132 1.155 8.043 6.833 1.00 0.00 C ATOM 2084 CD2 TYR A 132 0.347 9.637 5.257 1.00 0.00 C ATOM 2085 CE1 TYR A 132 2.434 8.546 6.692 1.00 0.00 C ATOM 2086 CE2 TYR A 132 1.622 10.147 5.111 1.00 0.00 C ATOM 2087 CZ TYR A 132 2.663 9.598 5.831 1.00 0.00 C ATOM 2088 OH TYR A 132 3.934 10.103 5.689 1.00 0.00 O ATOM 0 H TYR A 132 -2.008 6.891 8.432 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.575 9.644 7.675 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.256 6.963 6.487 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -1.852 8.151 5.344 1.00 0.00 H new ATOM 0 HD1 TYR A 132 0.979 7.221 7.511 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -0.466 10.070 4.692 1.00 0.00 H new ATOM 0 HE1 TYR A 132 3.251 8.117 7.254 1.00 0.00 H new ATOM 0 HE2 TYR A 132 1.803 10.971 4.437 1.00 0.00 H new ATOM 0 HH TYR A 132 3.923 10.841 5.044 1.00 0.00 H new ATOM 2098 N GLN A 133 -4.507 8.439 7.455 1.00 0.00 N ATOM 2099 CA GLN A 133 -5.886 8.715 7.052 1.00 0.00 C ATOM 2100 C GLN A 133 -6.344 10.105 7.505 1.00 0.00 C ATOM 2101 O GLN A 133 -7.395 10.251 8.130 1.00 0.00 O ATOM 2102 CB GLN A 133 -6.817 7.644 7.619 1.00 0.00 C ATOM 2103 CG GLN A 133 -6.841 7.599 9.137 1.00 0.00 C ATOM 2104 CD GLN A 133 -8.177 8.028 9.714 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -9.016 8.593 9.013 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -8.379 7.762 11.000 1.00 0.00 N ATOM 0 H GLN A 133 -4.411 7.714 8.166 1.00 0.00 H new ATOM 0 HA GLN A 133 -5.926 8.694 5.963 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -7.828 7.823 7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -6.509 6.669 7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -6.614 6.586 9.470 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -6.056 8.246 9.528 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -7.655 7.292 11.543 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -9.258 8.028 11.444 1.00 0.00 H new