USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 424 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 105 THR OG1 : rot 175:sc= -0.279 USER MOD Set 1.2: A 107 GLN : amide:sc= -2.45 K(o=-2.7,f=-8!) USER MOD Single : A 70 HIS : no HE2:sc= -6.04! C(o=-6!,f=-6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0831 USER MOD Single : A 72 TYR OH : rot 68:sc= -0.571! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -153:sc= -0.117 (180deg=-0.686) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -1.7! K(o=-1.7!,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0608 USER MOD Single : A 99 LYS NZ :NH3+ -134:sc= -2.33 (180deg=-6.77!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.103 USER MOD Single : A 104 THR OG1 : rot 128:sc= 0.12 USER MOD Single : A 114 ASN : amide:sc= -2.37 K(o=-2.4,f=-4.7!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.444 X(o=-0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 65 1.026 3.850 10.762 1.00 0.00 N ATOM 16 CA LEU A 65 0.169 4.607 9.877 1.00 0.00 C ATOM 17 C LEU A 65 0.961 5.408 8.868 1.00 0.00 C ATOM 18 O LEU A 65 2.016 5.968 9.163 1.00 0.00 O ATOM 19 CB LEU A 65 -0.760 5.529 10.656 1.00 0.00 C ATOM 20 CG LEU A 65 -1.492 6.553 9.806 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.323 5.851 8.747 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.362 7.453 10.671 1.00 0.00 C ATOM 0 HA LEU A 65 -0.434 3.879 9.334 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.495 4.921 11.183 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.178 6.054 11.414 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.755 7.183 9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.844 6.593 8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.671 5.256 8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.052 5.199 9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.876 8.178 10.040 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.097 6.848 11.201 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.737 7.979 11.392 1.00 0.00 H new ATOM 34 N VAL A 66 0.417 5.442 7.671 1.00 0.00 N ATOM 35 CA VAL A 66 1.017 6.155 6.561 1.00 0.00 C ATOM 36 C VAL A 66 0.046 7.147 5.936 1.00 0.00 C ATOM 37 O VAL A 66 -1.086 7.303 6.387 1.00 0.00 O ATOM 38 CB VAL A 66 1.467 5.178 5.476 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.786 4.528 5.854 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.398 4.125 5.217 1.00 0.00 C ATOM 0 H VAL A 66 -0.459 4.974 7.438 1.00 0.00 H new ATOM 0 HA VAL A 66 1.873 6.697 6.962 1.00 0.00 H new ATOM 0 HB VAL A 66 1.616 5.739 4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.089 3.836 5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.549 5.297 5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.668 3.984 6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.741 3.441 4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.207 3.567 6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.521 4.612 4.891 1.00 0.00 H new ATOM 50 N ILE A 67 0.500 7.808 4.881 1.00 0.00 N ATOM 51 CA ILE A 67 -0.318 8.774 4.175 1.00 0.00 C ATOM 52 C ILE A 67 -0.040 8.726 2.678 1.00 0.00 C ATOM 53 O ILE A 67 1.101 8.862 2.237 1.00 0.00 O ATOM 54 CB ILE A 67 -0.124 10.206 4.733 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.381 10.603 5.492 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.172 11.210 3.627 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.444 12.056 5.907 1.00 0.00 C ATOM 0 H ILE A 67 1.437 7.689 4.496 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.361 8.503 4.337 1.00 0.00 H new ATOM 0 HB ILE A 67 0.737 10.211 5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.248 10.380 4.871 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.460 9.982 6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.301 12.202 4.061 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.085 10.920 3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.658 11.228 2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.376 12.242 6.441 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.601 12.285 6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.401 12.690 5.021 1.00 0.00 H new ATOM 69 N ALA A 68 -1.098 8.513 1.909 1.00 0.00 N ATOM 70 CA ALA A 68 -0.987 8.421 0.458 1.00 0.00 C ATOM 71 C ALA A 68 -0.421 9.697 -0.152 1.00 0.00 C ATOM 72 O ALA A 68 -0.594 10.791 0.385 1.00 0.00 O ATOM 73 CB ALA A 68 -2.341 8.095 -0.157 1.00 0.00 C ATOM 0 H ALA A 68 -2.047 8.400 2.266 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.289 7.614 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.242 8.030 -1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.698 7.142 0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.054 8.880 0.096 1.00 0.00 H new ATOM 79 N LEU A 69 0.253 9.540 -1.286 1.00 0.00 N ATOM 80 CA LEU A 69 0.849 10.666 -1.996 1.00 0.00 C ATOM 81 C LEU A 69 0.257 10.797 -3.398 1.00 0.00 C ATOM 82 O LEU A 69 0.789 11.519 -4.241 1.00 0.00 O ATOM 83 CB LEU A 69 2.363 10.477 -2.095 1.00 0.00 C ATOM 84 CG LEU A 69 3.116 10.601 -0.768 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.606 10.339 -0.957 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.894 11.980 -0.166 1.00 0.00 C ATOM 0 H LEU A 69 0.401 8.637 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 69 0.631 11.577 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.565 9.494 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.762 11.214 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 69 2.725 9.848 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.117 10.434 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.752 9.332 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.017 11.064 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.434 12.056 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.259 12.741 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.829 12.132 0.012 1.00 0.00 H new ATOM 98 N HIS A 70 -0.837 10.078 -3.648 1.00 0.00 N ATOM 99 CA HIS A 70 -1.487 10.101 -4.954 1.00 0.00 C ATOM 100 C HIS A 70 -2.852 9.423 -4.888 1.00 0.00 C ATOM 101 O HIS A 70 -3.021 8.414 -4.204 1.00 0.00 O ATOM 102 CB HIS A 70 -0.612 9.403 -6.011 1.00 0.00 C ATOM 103 CG HIS A 70 0.575 8.664 -5.457 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.774 8.556 -6.130 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.750 8.005 -4.285 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.630 7.868 -5.399 1.00 0.00 C ATOM 107 NE2 HIS A 70 2.035 7.521 -4.273 1.00 0.00 N ATOM 0 H HIS A 70 -1.290 9.473 -2.963 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.623 11.144 -5.241 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.231 8.701 -6.569 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.258 10.151 -6.721 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.969 8.948 -7.051 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.014 7.883 -3.504 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.646 7.629 -5.675 1.00 0.00 H new ATOM 116 N SER A 71 -3.824 9.977 -5.609 1.00 0.00 N ATOM 117 CA SER A 71 -5.169 9.413 -5.634 1.00 0.00 C ATOM 118 C SER A 71 -5.131 7.970 -6.118 1.00 0.00 C ATOM 119 O SER A 71 -4.608 7.682 -7.194 1.00 0.00 O ATOM 120 CB SER A 71 -6.081 10.242 -6.539 1.00 0.00 C ATOM 121 OG SER A 71 -5.609 11.573 -6.660 1.00 0.00 O ATOM 0 H SER A 71 -3.705 10.813 -6.181 1.00 0.00 H new ATOM 0 HA SER A 71 -5.567 9.435 -4.620 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.135 9.781 -7.525 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.093 10.247 -6.134 1.00 0.00 H new ATOM 0 HG SER A 71 -6.209 12.081 -7.245 1.00 0.00 H new ATOM 127 N TYR A 72 -5.673 7.064 -5.314 1.00 0.00 N ATOM 128 CA TYR A 72 -5.676 5.644 -5.671 1.00 0.00 C ATOM 129 C TYR A 72 -7.038 5.160 -6.153 1.00 0.00 C ATOM 130 O TYR A 72 -8.082 5.619 -5.688 1.00 0.00 O ATOM 131 CB TYR A 72 -5.239 4.782 -4.486 1.00 0.00 C ATOM 132 CG TYR A 72 -4.977 3.341 -4.863 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.171 3.019 -5.949 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.547 2.302 -4.140 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.943 1.703 -6.302 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.318 0.985 -4.484 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.517 0.691 -5.565 1.00 0.00 C ATOM 138 OH TYR A 72 -4.295 -0.619 -5.915 1.00 0.00 O ATOM 0 H TYR A 72 -6.113 7.280 -4.419 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.967 5.541 -6.493 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.335 5.207 -4.050 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.010 4.815 -3.717 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.716 3.810 -6.526 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.180 2.528 -3.295 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.318 1.469 -7.151 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.765 0.188 -3.908 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.356 -0.847 -5.750 1.00 0.00 H new ATOM 148 N GLU A 73 -7.004 4.206 -7.078 1.00 0.00 N ATOM 149 CA GLU A 73 -8.202 3.611 -7.633 1.00 0.00 C ATOM 150 C GLU A 73 -8.024 2.097 -7.754 1.00 0.00 C ATOM 151 O GLU A 73 -7.479 1.600 -8.740 1.00 0.00 O ATOM 152 CB GLU A 73 -8.498 4.216 -8.989 1.00 0.00 C ATOM 153 CG GLU A 73 -9.801 4.987 -9.033 1.00 0.00 C ATOM 154 CD GLU A 73 -9.942 5.828 -10.286 1.00 0.00 C ATOM 155 OE1 GLU A 73 -9.426 6.966 -10.299 1.00 0.00 O ATOM 156 OE2 GLU A 73 -10.568 5.349 -11.256 1.00 0.00 O ATOM 0 H GLU A 73 -6.138 3.826 -7.461 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.042 3.813 -6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.681 4.882 -9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.530 3.421 -9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.635 4.287 -8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.866 5.633 -8.158 1.00 0.00 H new ATOM 163 N PRO A 74 -8.479 1.354 -6.737 1.00 0.00 N ATOM 164 CA PRO A 74 -8.384 -0.101 -6.673 1.00 0.00 C ATOM 165 C PRO A 74 -8.576 -0.780 -8.025 1.00 0.00 C ATOM 166 O PRO A 74 -9.568 -0.551 -8.715 1.00 0.00 O ATOM 167 CB PRO A 74 -9.515 -0.488 -5.704 1.00 0.00 C ATOM 168 CG PRO A 74 -10.110 0.800 -5.214 1.00 0.00 C ATOM 169 CD PRO A 74 -9.123 1.881 -5.548 1.00 0.00 C ATOM 0 HA PRO A 74 -7.393 -0.422 -6.351 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.266 -1.097 -6.207 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.130 -1.079 -4.873 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.070 0.990 -5.693 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.292 0.759 -4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.614 2.835 -5.740 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.411 2.046 -4.739 1.00 0.00 H new ATOM 177 N SER A 75 -7.614 -1.624 -8.388 1.00 0.00 N ATOM 178 CA SER A 75 -7.661 -2.351 -9.651 1.00 0.00 C ATOM 179 C SER A 75 -7.542 -3.853 -9.412 1.00 0.00 C ATOM 180 O SER A 75 -8.231 -4.649 -10.049 1.00 0.00 O ATOM 181 CB SER A 75 -6.542 -1.878 -10.579 1.00 0.00 C ATOM 182 OG SER A 75 -6.907 -0.687 -11.254 1.00 0.00 O ATOM 0 H SER A 75 -6.789 -1.821 -7.821 1.00 0.00 H new ATOM 0 HA SER A 75 -8.622 -2.150 -10.125 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.634 -1.708 -10.001 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.315 -2.657 -11.307 1.00 0.00 H new ATOM 0 HG SER A 75 -6.174 -0.405 -11.840 1.00 0.00 H new ATOM 188 N HIS A 76 -6.663 -4.234 -8.488 1.00 0.00 N ATOM 189 CA HIS A 76 -6.457 -5.640 -8.163 1.00 0.00 C ATOM 190 C HIS A 76 -7.552 -6.146 -7.228 1.00 0.00 C ATOM 191 O HIS A 76 -8.360 -5.365 -6.724 1.00 0.00 O ATOM 192 CB HIS A 76 -5.083 -5.844 -7.517 1.00 0.00 C ATOM 193 CG HIS A 76 -4.008 -6.202 -8.496 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.684 -7.503 -8.815 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.183 -5.419 -9.232 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.704 -7.506 -9.703 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.383 -6.255 -9.972 1.00 0.00 N ATOM 0 H HIS A 76 -6.083 -3.588 -7.952 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.501 -6.211 -9.090 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.797 -4.931 -6.994 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.157 -6.631 -6.767 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.159 -4.339 -9.236 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -2.245 -8.383 -10.134 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.658 -5.957 -10.624 1.00 0.00 H new ATOM 206 N ASP A 77 -7.575 -7.455 -7.001 1.00 0.00 N ATOM 207 CA ASP A 77 -8.573 -8.062 -6.127 1.00 0.00 C ATOM 208 C ASP A 77 -8.222 -7.835 -4.660 1.00 0.00 C ATOM 209 O ASP A 77 -7.052 -7.866 -4.280 1.00 0.00 O ATOM 210 CB ASP A 77 -8.685 -9.561 -6.410 1.00 0.00 C ATOM 211 CG ASP A 77 -7.371 -10.288 -6.204 1.00 0.00 C ATOM 212 OD1 ASP A 77 -6.393 -9.958 -6.907 1.00 0.00 O ATOM 213 OD2 ASP A 77 -7.319 -11.189 -5.340 1.00 0.00 O ATOM 0 H ASP A 77 -6.914 -8.116 -7.410 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.533 -7.588 -6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.443 -9.995 -5.758 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.023 -9.710 -7.436 1.00 0.00 H new ATOM 218 N GLY A 78 -9.243 -7.607 -3.838 1.00 0.00 N ATOM 219 CA GLY A 78 -9.019 -7.380 -2.423 1.00 0.00 C ATOM 220 C GLY A 78 -8.152 -6.165 -2.164 1.00 0.00 C ATOM 221 O GLY A 78 -7.283 -6.192 -1.293 1.00 0.00 O ATOM 0 H GLY A 78 -10.221 -7.576 -4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.978 -7.252 -1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.546 -8.260 -1.987 1.00 0.00 H new ATOM 225 N ASP A 79 -8.385 -5.098 -2.922 1.00 0.00 N ATOM 226 CA ASP A 79 -7.614 -3.872 -2.766 1.00 0.00 C ATOM 227 C ASP A 79 -8.437 -2.787 -2.083 1.00 0.00 C ATOM 228 O ASP A 79 -9.666 -2.789 -2.145 1.00 0.00 O ATOM 229 CB ASP A 79 -7.125 -3.374 -4.126 1.00 0.00 C ATOM 230 CG ASP A 79 -6.116 -4.313 -4.752 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.404 -5.526 -4.834 1.00 0.00 O ATOM 232 OD2 ASP A 79 -5.038 -3.836 -5.160 1.00 0.00 O ATOM 0 H ASP A 79 -9.100 -5.059 -3.648 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.753 -4.097 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.977 -3.260 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.677 -2.387 -4.010 1.00 0.00 H new ATOM 237 N LEU A 80 -7.742 -1.858 -1.441 1.00 0.00 N ATOM 238 CA LEU A 80 -8.388 -0.753 -0.748 1.00 0.00 C ATOM 239 C LEU A 80 -8.105 0.556 -1.477 1.00 0.00 C ATOM 240 O LEU A 80 -6.958 0.857 -1.808 1.00 0.00 O ATOM 241 CB LEU A 80 -7.892 -0.680 0.704 1.00 0.00 C ATOM 242 CG LEU A 80 -7.967 0.698 1.366 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.414 1.100 1.616 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.180 0.707 2.668 1.00 0.00 C ATOM 0 H LEU A 80 -6.724 -1.849 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.465 -0.919 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.474 -1.381 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.857 -1.019 0.732 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.523 1.426 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.442 2.083 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.951 1.136 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.886 0.369 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.244 1.694 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.595 -0.036 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.136 0.469 2.464 1.00 0.00 H new ATOM 256 N GLY A 81 -9.152 1.332 -1.722 1.00 0.00 N ATOM 257 CA GLY A 81 -8.983 2.597 -2.408 1.00 0.00 C ATOM 258 C GLY A 81 -8.886 3.761 -1.448 1.00 0.00 C ATOM 259 O GLY A 81 -9.568 3.793 -0.423 1.00 0.00 O ATOM 0 H GLY A 81 -10.112 1.109 -1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.082 2.558 -3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.822 2.756 -3.085 1.00 0.00 H new ATOM 263 N PHE A 82 -8.031 4.715 -1.781 1.00 0.00 N ATOM 264 CA PHE A 82 -7.834 5.888 -0.947 1.00 0.00 C ATOM 265 C PHE A 82 -7.553 7.112 -1.799 1.00 0.00 C ATOM 266 O PHE A 82 -7.450 7.023 -3.023 1.00 0.00 O ATOM 267 CB PHE A 82 -6.679 5.668 0.032 1.00 0.00 C ATOM 268 CG PHE A 82 -5.526 4.888 -0.544 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.672 3.551 -0.876 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.296 5.492 -0.755 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.617 2.833 -1.406 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.236 4.777 -1.285 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.399 3.447 -1.610 1.00 0.00 C ATOM 0 H PHE A 82 -7.461 4.699 -2.627 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.751 6.053 -0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.315 6.638 0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.056 5.144 0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.623 3.063 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.163 6.534 -0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.746 1.791 -1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.283 5.260 -1.444 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.574 2.887 -2.024 1.00 0.00 H new ATOM 283 N GLU A 83 -7.428 8.256 -1.145 1.00 0.00 N ATOM 284 CA GLU A 83 -7.159 9.500 -1.840 1.00 0.00 C ATOM 285 C GLU A 83 -5.733 9.965 -1.581 1.00 0.00 C ATOM 286 O GLU A 83 -5.016 9.377 -0.771 1.00 0.00 O ATOM 287 CB GLU A 83 -8.151 10.566 -1.382 1.00 0.00 C ATOM 288 CG GLU A 83 -9.221 10.882 -2.412 1.00 0.00 C ATOM 289 CD GLU A 83 -9.425 12.372 -2.605 1.00 0.00 C ATOM 290 OE1 GLU A 83 -8.740 12.958 -3.468 1.00 0.00 O ATOM 291 OE2 GLU A 83 -10.272 12.952 -1.893 1.00 0.00 O ATOM 0 H GLU A 83 -7.509 8.346 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.274 9.335 -2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.631 10.233 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.606 11.480 -1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.947 10.430 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.162 10.427 -2.103 1.00 0.00 H new ATOM 298 N LYS A 84 -5.329 11.032 -2.256 1.00 0.00 N ATOM 299 CA LYS A 84 -3.995 11.577 -2.067 1.00 0.00 C ATOM 300 C LYS A 84 -3.930 12.279 -0.715 1.00 0.00 C ATOM 301 O LYS A 84 -4.809 13.070 -0.373 1.00 0.00 O ATOM 302 CB LYS A 84 -3.643 12.529 -3.210 1.00 0.00 C ATOM 303 CG LYS A 84 -2.453 13.427 -2.917 1.00 0.00 C ATOM 304 CD LYS A 84 -2.378 14.590 -3.888 1.00 0.00 C ATOM 305 CE LYS A 84 -1.606 15.760 -3.299 1.00 0.00 C ATOM 306 NZ LYS A 84 -2.280 16.323 -2.098 1.00 0.00 N ATOM 0 H LYS A 84 -5.902 11.533 -2.934 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.261 10.771 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.433 11.944 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.510 13.151 -3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.526 13.807 -1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.534 12.844 -2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.898 14.264 -4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.386 14.913 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.601 15.434 -3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.498 16.540 -4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.027 17.327 -1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.311 16.234 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.974 15.802 -1.252 1.00 0.00 H new ATOM 320 N GLY A 85 -2.911 11.949 0.068 1.00 0.00 N ATOM 321 CA GLY A 85 -2.783 12.523 1.398 1.00 0.00 C ATOM 322 C GLY A 85 -3.613 11.761 2.412 1.00 0.00 C ATOM 323 O GLY A 85 -3.457 11.946 3.619 1.00 0.00 O ATOM 0 H GLY A 85 -2.171 11.296 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.736 12.513 1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.099 13.566 1.378 1.00 0.00 H new ATOM 327 N GLU A 86 -4.486 10.880 1.918 1.00 0.00 N ATOM 328 CA GLU A 86 -5.328 10.065 2.778 1.00 0.00 C ATOM 329 C GLU A 86 -4.463 9.272 3.736 1.00 0.00 C ATOM 330 O GLU A 86 -3.254 9.162 3.544 1.00 0.00 O ATOM 331 CB GLU A 86 -6.165 9.104 1.927 1.00 0.00 C ATOM 332 CG GLU A 86 -7.589 8.859 2.411 1.00 0.00 C ATOM 333 CD GLU A 86 -7.997 9.697 3.610 1.00 0.00 C ATOM 334 OE1 GLU A 86 -7.669 9.304 4.749 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.642 10.748 3.408 1.00 0.00 O ATOM 0 H GLU A 86 -4.624 10.717 0.921 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.994 10.715 3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.209 9.493 0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.648 8.146 1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.278 9.060 1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.697 7.805 2.666 1.00 0.00 H new ATOM 342 N GLN A 87 -5.080 8.713 4.759 1.00 0.00 N ATOM 343 CA GLN A 87 -4.345 7.927 5.735 1.00 0.00 C ATOM 344 C GLN A 87 -4.904 6.522 5.839 1.00 0.00 C ATOM 345 O GLN A 87 -6.106 6.295 5.694 1.00 0.00 O ATOM 346 CB GLN A 87 -4.360 8.602 7.104 1.00 0.00 C ATOM 347 CG GLN A 87 -4.134 10.100 7.039 1.00 0.00 C ATOM 348 CD GLN A 87 -5.005 10.868 8.012 1.00 0.00 C ATOM 349 OE1 GLN A 87 -6.122 11.270 7.682 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.498 11.079 9.222 1.00 0.00 N ATOM 0 H GLN A 87 -6.082 8.787 4.937 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.312 7.861 5.392 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.318 8.407 7.587 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.590 8.153 7.731 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.086 10.314 7.249 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.334 10.449 6.026 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.569 10.729 9.454 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.038 11.591 9.919 1.00 0.00 H new ATOM 359 N LEU A 88 -4.009 5.587 6.090 1.00 0.00 N ATOM 360 CA LEU A 88 -4.365 4.182 6.220 1.00 0.00 C ATOM 361 C LEU A 88 -3.471 3.504 7.232 1.00 0.00 C ATOM 362 O LEU A 88 -2.245 3.572 7.136 1.00 0.00 O ATOM 363 CB LEU A 88 -4.238 3.445 4.888 1.00 0.00 C ATOM 364 CG LEU A 88 -4.446 4.287 3.633 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.361 3.983 2.612 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.824 4.023 3.053 1.00 0.00 C ATOM 0 H LEU A 88 -3.014 5.777 6.210 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.403 4.143 6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.247 2.994 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.960 2.629 4.877 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.380 5.343 3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.520 4.590 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.385 4.214 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.399 2.927 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.964 4.628 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.914 2.968 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.585 4.283 3.789 1.00 0.00 H new ATOM 378 N ARG A 89 -4.084 2.833 8.180 1.00 0.00 N ATOM 379 CA ARG A 89 -3.347 2.122 9.188 1.00 0.00 C ATOM 380 C ARG A 89 -2.874 0.795 8.612 1.00 0.00 C ATOM 381 O ARG A 89 -3.655 -0.140 8.444 1.00 0.00 O ATOM 382 CB ARG A 89 -4.217 1.916 10.416 1.00 0.00 C ATOM 383 CG ARG A 89 -3.638 0.918 11.380 1.00 0.00 C ATOM 384 CD ARG A 89 -4.455 0.845 12.652 1.00 0.00 C ATOM 385 NE ARG A 89 -3.692 0.276 13.758 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.242 -0.304 14.822 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.563 -0.391 14.934 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.471 -0.797 15.781 1.00 0.00 N ATOM 0 H ARG A 89 -5.098 2.767 8.270 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.474 2.699 9.494 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.351 2.871 10.925 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.206 1.580 10.103 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.602 -0.065 10.911 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.611 1.194 11.620 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.795 1.845 12.922 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.346 0.241 12.477 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.674 0.326 13.713 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.163 -0.012 14.201 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.977 -0.837 15.753 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.456 -0.732 15.703 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.893 -1.241 16.596 1.00 0.00 H new ATOM 402 N ILE A 90 -1.596 0.742 8.281 1.00 0.00 N ATOM 403 CA ILE A 90 -1.004 -0.443 7.681 1.00 0.00 C ATOM 404 C ILE A 90 -1.125 -1.661 8.577 1.00 0.00 C ATOM 405 O ILE A 90 -0.489 -1.752 9.628 1.00 0.00 O ATOM 406 CB ILE A 90 0.478 -0.217 7.315 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.634 1.075 6.511 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.023 -1.393 6.523 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.003 1.020 5.138 1.00 0.00 C ATOM 0 H ILE A 90 -0.942 1.513 8.419 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.568 -0.632 6.768 1.00 0.00 H new ATOM 0 HB ILE A 90 1.048 -0.130 8.240 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.193 1.898 7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.695 1.298 6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.069 -1.212 6.276 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.943 -2.302 7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.448 -1.511 5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.149 1.971 4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.455 0.220 4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.071 0.829 5.240 1.00 0.00 H new ATOM 421 N LEU A 91 -1.932 -2.608 8.124 1.00 0.00 N ATOM 422 CA LEU A 91 -2.146 -3.854 8.833 1.00 0.00 C ATOM 423 C LEU A 91 -0.976 -4.777 8.558 1.00 0.00 C ATOM 424 O LEU A 91 -0.389 -5.361 9.469 1.00 0.00 O ATOM 425 CB LEU A 91 -3.447 -4.486 8.355 1.00 0.00 C ATOM 426 CG LEU A 91 -4.626 -3.512 8.285 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.881 -4.191 7.769 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.876 -2.879 9.645 1.00 0.00 C ATOM 0 H LEU A 91 -2.457 -2.531 7.253 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.218 -3.675 9.906 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.287 -4.918 7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.707 -5.307 9.023 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.365 -2.725 7.578 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.697 -3.469 7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.698 -4.582 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.151 -5.011 8.435 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.717 -2.190 9.576 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.104 -3.658 10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.986 -2.335 9.962 1.00 0.00 H new ATOM 440 N GLU A 92 -0.633 -4.870 7.283 1.00 0.00 N ATOM 441 CA GLU A 92 0.484 -5.681 6.844 1.00 0.00 C ATOM 442 C GLU A 92 1.236 -4.969 5.735 1.00 0.00 C ATOM 443 O GLU A 92 0.635 -4.338 4.870 1.00 0.00 O ATOM 444 CB GLU A 92 0.014 -7.055 6.383 1.00 0.00 C ATOM 445 CG GLU A 92 0.610 -8.175 7.211 1.00 0.00 C ATOM 446 CD GLU A 92 -0.434 -8.947 7.994 1.00 0.00 C ATOM 447 OE1 GLU A 92 -0.924 -8.416 9.013 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.762 -10.082 7.589 1.00 0.00 O ATOM 0 H GLU A 92 -1.121 -4.387 6.529 1.00 0.00 H new ATOM 0 HA GLU A 92 1.158 -5.828 7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.073 -7.103 6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.284 -7.197 5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.145 -8.861 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.342 -7.759 7.903 1.00 0.00 H new ATOM 455 N GLN A 93 2.556 -5.054 5.777 1.00 0.00 N ATOM 456 CA GLN A 93 3.386 -4.392 4.782 1.00 0.00 C ATOM 457 C GLN A 93 4.346 -5.370 4.128 1.00 0.00 C ATOM 458 O GLN A 93 5.476 -5.020 3.785 1.00 0.00 O ATOM 459 CB GLN A 93 4.149 -3.242 5.426 1.00 0.00 C ATOM 460 CG GLN A 93 4.446 -3.494 6.875 1.00 0.00 C ATOM 461 CD GLN A 93 5.107 -2.317 7.568 1.00 0.00 C ATOM 462 OE1 GLN A 93 6.109 -2.477 8.266 1.00 0.00 O ATOM 463 NE2 GLN A 93 4.551 -1.126 7.379 1.00 0.00 N ATOM 0 H GLN A 93 3.075 -5.572 6.486 1.00 0.00 H new ATOM 0 HA GLN A 93 2.736 -3.995 4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.084 -3.083 4.888 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.567 -2.325 5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.517 -3.736 7.392 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.094 -4.366 6.959 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.721 -1.038 6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.954 -0.299 7.820 1.00 0.00 H new ATOM 472 N SER A 94 3.880 -6.595 3.947 1.00 0.00 N ATOM 473 CA SER A 94 4.683 -7.630 3.318 1.00 0.00 C ATOM 474 C SER A 94 4.369 -7.701 1.829 1.00 0.00 C ATOM 475 O SER A 94 3.219 -7.901 1.437 1.00 0.00 O ATOM 476 CB SER A 94 4.422 -8.985 3.978 1.00 0.00 C ATOM 477 OG SER A 94 3.347 -8.909 4.898 1.00 0.00 O ATOM 0 H SER A 94 2.947 -6.897 4.228 1.00 0.00 H new ATOM 0 HA SER A 94 5.736 -7.380 3.446 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.197 -9.728 3.213 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.322 -9.321 4.493 1.00 0.00 H new ATOM 0 HG SER A 94 3.201 -9.789 5.304 1.00 0.00 H new ATOM 483 N GLY A 95 5.392 -7.524 1.006 1.00 0.00 N ATOM 484 CA GLY A 95 5.196 -7.563 -0.430 1.00 0.00 C ATOM 485 C GLY A 95 4.898 -6.207 -1.015 1.00 0.00 C ATOM 486 O GLY A 95 4.488 -5.284 -0.310 1.00 0.00 O ATOM 0 H GLY A 95 6.352 -7.354 1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.090 -7.969 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.376 -8.242 -0.662 1.00 0.00 H new ATOM 490 N GLU A 96 5.100 -6.097 -2.319 1.00 0.00 N ATOM 491 CA GLU A 96 4.856 -4.861 -3.044 1.00 0.00 C ATOM 492 C GLU A 96 3.470 -4.288 -2.722 1.00 0.00 C ATOM 493 O GLU A 96 3.218 -3.104 -2.933 1.00 0.00 O ATOM 494 CB GLU A 96 5.000 -5.124 -4.539 1.00 0.00 C ATOM 495 CG GLU A 96 4.037 -4.328 -5.370 1.00 0.00 C ATOM 496 CD GLU A 96 4.285 -4.458 -6.860 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.434 -4.752 -7.247 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.327 -4.266 -7.638 1.00 0.00 O ATOM 0 H GLU A 96 5.437 -6.862 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 96 5.590 -4.118 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.019 -4.888 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.846 -6.186 -4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.021 -4.653 -5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.105 -3.278 -5.087 1.00 0.00 H new ATOM 505 N TRP A 97 2.575 -5.128 -2.214 1.00 0.00 N ATOM 506 CA TRP A 97 1.230 -4.689 -1.870 1.00 0.00 C ATOM 507 C TRP A 97 1.016 -4.749 -0.360 1.00 0.00 C ATOM 508 O TRP A 97 1.008 -5.828 0.233 1.00 0.00 O ATOM 509 CB TRP A 97 0.200 -5.550 -2.595 1.00 0.00 C ATOM 510 CG TRP A 97 0.056 -5.186 -4.040 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.798 -5.659 -5.083 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.877 -4.257 -4.601 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.387 -5.077 -6.257 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.641 -4.213 -5.987 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.889 -3.459 -4.064 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.379 -3.399 -6.841 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.621 -2.653 -4.911 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.363 -2.625 -6.287 1.00 0.00 C ATOM 0 H TRP A 97 2.757 -6.115 -2.032 1.00 0.00 H new ATOM 0 HA TRP A 97 1.106 -3.654 -2.188 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.488 -6.598 -2.516 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.766 -5.447 -2.101 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.593 -6.385 -4.998 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.783 -5.258 -7.179 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.095 -3.473 -3.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.183 -3.379 -7.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.407 -2.033 -4.506 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.951 -1.981 -6.923 1.00 0.00 H new ATOM 529 N TRP A 98 0.860 -3.580 0.261 1.00 0.00 N ATOM 530 CA TRP A 98 0.668 -3.501 1.706 1.00 0.00 C ATOM 531 C TRP A 98 -0.804 -3.444 2.089 1.00 0.00 C ATOM 532 O TRP A 98 -1.589 -2.709 1.490 1.00 0.00 O ATOM 533 CB TRP A 98 1.377 -2.273 2.274 1.00 0.00 C ATOM 534 CG TRP A 98 2.868 -2.403 2.293 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.609 -3.422 1.776 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.794 -1.484 2.872 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.945 -3.195 2.002 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.084 -2.005 2.670 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.653 -0.270 3.540 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.230 -1.348 3.115 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.787 0.384 3.981 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.062 -0.154 3.765 1.00 0.00 C ATOM 0 H TRP A 98 0.863 -2.677 -0.214 1.00 0.00 H new ATOM 0 HA TRP A 98 1.097 -4.410 2.129 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.103 -1.399 1.683 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.022 -2.095 3.289 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.205 -4.283 1.263 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.708 -3.810 1.720 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.674 0.153 3.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.213 -1.765 2.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.689 1.326 4.501 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.930 0.383 4.118 1.00 0.00 H new ATOM 553 N LYS A 99 -1.158 -4.201 3.120 1.00 0.00 N ATOM 554 CA LYS A 99 -2.519 -4.220 3.626 1.00 0.00 C ATOM 555 C LYS A 99 -2.717 -3.048 4.576 1.00 0.00 C ATOM 556 O LYS A 99 -2.106 -3.001 5.642 1.00 0.00 O ATOM 557 CB LYS A 99 -2.797 -5.535 4.361 1.00 0.00 C ATOM 558 CG LYS A 99 -4.156 -5.589 5.040 1.00 0.00 C ATOM 559 CD LYS A 99 -5.213 -4.887 4.221 1.00 0.00 C ATOM 560 CE LYS A 99 -6.612 -5.302 4.641 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.343 -5.998 3.546 1.00 0.00 N ATOM 0 H LYS A 99 -0.515 -4.812 3.623 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.212 -4.137 2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.724 -6.359 3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.021 -5.691 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.445 -6.628 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.090 -5.126 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.104 -3.808 4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.067 -5.115 3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.550 -5.959 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.174 -4.420 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.306 -5.613 3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.842 -5.852 2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.392 -7.016 3.754 1.00 0.00 H new ATOM 575 N ALA A 100 -3.556 -2.098 4.190 1.00 0.00 N ATOM 576 CA ALA A 100 -3.800 -0.932 5.026 1.00 0.00 C ATOM 577 C ALA A 100 -5.255 -0.824 5.423 1.00 0.00 C ATOM 578 O ALA A 100 -6.152 -1.101 4.627 1.00 0.00 O ATOM 579 CB ALA A 100 -3.369 0.342 4.317 1.00 0.00 C ATOM 0 H ALA A 100 -4.075 -2.110 3.312 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.206 -1.058 5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.561 1.200 4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.304 0.290 4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.932 0.451 3.390 1.00 0.00 H new ATOM 585 N GLN A 101 -5.485 -0.375 6.646 1.00 0.00 N ATOM 586 CA GLN A 101 -6.830 -0.180 7.130 1.00 0.00 C ATOM 587 C GLN A 101 -7.085 1.305 7.230 1.00 0.00 C ATOM 588 O GLN A 101 -6.508 1.993 8.072 1.00 0.00 O ATOM 589 CB GLN A 101 -7.046 -0.852 8.485 1.00 0.00 C ATOM 590 CG GLN A 101 -8.381 -0.516 9.109 1.00 0.00 C ATOM 591 CD GLN A 101 -8.446 -0.856 10.584 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.943 -1.915 10.969 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.941 0.045 11.420 1.00 0.00 N ATOM 0 H GLN A 101 -4.754 -0.140 7.317 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.531 -0.640 6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.970 -1.933 8.364 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.248 -0.551 9.164 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.580 0.548 8.978 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.168 -1.055 8.582 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.539 0.909 11.056 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.955 -0.127 12.425 1.00 0.00 H new ATOM 602 N SER A 102 -7.947 1.800 6.363 1.00 0.00 N ATOM 603 CA SER A 102 -8.273 3.205 6.344 1.00 0.00 C ATOM 604 C SER A 102 -8.623 3.680 7.745 1.00 0.00 C ATOM 605 O SER A 102 -8.789 2.872 8.658 1.00 0.00 O ATOM 606 CB SER A 102 -9.426 3.430 5.379 1.00 0.00 C ATOM 607 OG SER A 102 -9.004 4.140 4.228 1.00 0.00 O ATOM 0 H SER A 102 -8.434 1.243 5.661 1.00 0.00 H new ATOM 0 HA SER A 102 -7.413 3.784 6.006 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.847 2.469 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.219 3.985 5.880 1.00 0.00 H new ATOM 0 HG SER A 102 -9.766 4.268 3.625 1.00 0.00 H new ATOM 613 N LEU A 103 -8.704 4.984 7.924 1.00 0.00 N ATOM 614 CA LEU A 103 -9.011 5.533 9.238 1.00 0.00 C ATOM 615 C LEU A 103 -10.205 6.473 9.196 1.00 0.00 C ATOM 616 O LEU A 103 -10.891 6.663 10.200 1.00 0.00 O ATOM 617 CB LEU A 103 -7.782 6.221 9.799 1.00 0.00 C ATOM 618 CG LEU A 103 -6.705 5.241 10.265 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.650 5.080 9.191 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.077 5.673 11.580 1.00 0.00 C ATOM 0 H LEU A 103 -8.564 5.678 7.190 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.290 4.712 9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.362 6.878 9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.077 6.852 10.637 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.182 4.277 10.440 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.887 4.380 9.532 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.112 4.697 8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.190 6.046 8.985 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.317 4.949 11.875 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.617 6.654 11.459 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.846 5.726 12.350 1.00 0.00 H new ATOM 632 N THR A 104 -10.470 7.032 8.029 1.00 0.00 N ATOM 633 CA THR A 104 -11.601 7.916 7.855 1.00 0.00 C ATOM 634 C THR A 104 -12.848 7.080 7.620 1.00 0.00 C ATOM 635 O THR A 104 -13.926 7.354 8.147 1.00 0.00 O ATOM 636 CB THR A 104 -11.354 8.835 6.669 1.00 0.00 C ATOM 637 OG1 THR A 104 -9.989 9.205 6.592 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.167 10.093 6.737 1.00 0.00 C ATOM 0 H THR A 104 -9.913 6.887 7.187 1.00 0.00 H new ATOM 0 HA THR A 104 -11.737 8.527 8.748 1.00 0.00 H new ATOM 0 HB THR A 104 -11.650 8.268 5.787 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.651 9.022 5.691 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.952 10.713 5.866 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.227 9.841 6.750 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.913 10.642 7.644 1.00 0.00 H new ATOM 646 N THR A 105 -12.656 6.043 6.823 1.00 0.00 N ATOM 647 CA THR A 105 -13.700 5.097 6.469 1.00 0.00 C ATOM 648 C THR A 105 -13.433 3.769 7.163 1.00 0.00 C ATOM 649 O THR A 105 -14.342 3.050 7.577 1.00 0.00 O ATOM 650 CB THR A 105 -13.677 4.887 4.963 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.854 3.786 4.617 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.172 6.088 4.194 1.00 0.00 C ATOM 0 H THR A 105 -11.754 5.831 6.396 1.00 0.00 H new ATOM 0 HA THR A 105 -14.672 5.481 6.780 1.00 0.00 H new ATOM 0 HB THR A 105 -14.716 4.708 4.688 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.921 3.618 3.654 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.183 5.867 3.127 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.815 6.945 4.394 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.154 6.318 4.507 1.00 0.00 H new ATOM 660 N GLY A 106 -12.151 3.480 7.258 1.00 0.00 N ATOM 661 CA GLY A 106 -11.654 2.276 7.866 1.00 0.00 C ATOM 662 C GLY A 106 -11.704 1.081 6.946 1.00 0.00 C ATOM 663 O GLY A 106 -11.282 -0.014 7.322 1.00 0.00 O ATOM 0 H GLY A 106 -11.415 4.092 6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.625 2.437 8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.237 2.062 8.762 1.00 0.00 H new ATOM 667 N GLN A 107 -12.201 1.279 5.730 1.00 0.00 N ATOM 668 CA GLN A 107 -12.277 0.215 4.765 1.00 0.00 C ATOM 669 C GLN A 107 -10.943 -0.499 4.633 1.00 0.00 C ATOM 670 O GLN A 107 -9.919 0.112 4.331 1.00 0.00 O ATOM 671 CB GLN A 107 -12.730 0.780 3.440 1.00 0.00 C ATOM 672 CG GLN A 107 -14.233 0.841 3.351 1.00 0.00 C ATOM 673 CD GLN A 107 -14.787 2.237 3.549 1.00 0.00 C ATOM 674 OE1 GLN A 107 -14.436 3.166 2.821 1.00 0.00 O ATOM 675 NE2 GLN A 107 -15.662 2.390 4.536 1.00 0.00 N ATOM 0 H GLN A 107 -12.556 2.176 5.398 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.003 -0.525 5.102 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.316 1.780 3.309 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.341 0.165 2.629 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.548 0.467 2.377 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.662 0.177 4.101 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.924 1.591 5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.073 3.306 4.716 1.00 0.00 H new ATOM 684 N GLU A 108 -10.968 -1.795 4.888 1.00 0.00 N ATOM 685 CA GLU A 108 -9.762 -2.607 4.829 1.00 0.00 C ATOM 686 C GLU A 108 -9.527 -3.158 3.428 1.00 0.00 C ATOM 687 O GLU A 108 -10.469 -3.507 2.717 1.00 0.00 O ATOM 688 CB GLU A 108 -9.848 -3.750 5.837 1.00 0.00 C ATOM 689 CG GLU A 108 -10.093 -3.284 7.260 1.00 0.00 C ATOM 690 CD GLU A 108 -11.254 -4.001 7.920 1.00 0.00 C ATOM 691 OE1 GLU A 108 -12.401 -3.525 7.782 1.00 0.00 O ATOM 692 OE2 GLU A 108 -11.017 -5.038 8.575 1.00 0.00 O ATOM 0 H GLU A 108 -11.812 -2.310 5.139 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.916 -1.968 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.651 -4.426 5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.921 -4.323 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.191 -3.443 7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.288 -2.212 7.258 1.00 0.00 H new ATOM 699 N GLY A 109 -8.257 -3.234 3.041 1.00 0.00 N ATOM 700 CA GLY A 109 -7.908 -3.743 1.730 1.00 0.00 C ATOM 701 C GLY A 109 -6.426 -3.610 1.438 1.00 0.00 C ATOM 702 O GLY A 109 -5.669 -3.091 2.256 1.00 0.00 O ATOM 0 H GLY A 109 -7.463 -2.951 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.197 -4.792 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.476 -3.205 0.971 1.00 0.00 H new ATOM 706 N PHE A 110 -6.017 -4.081 0.268 1.00 0.00 N ATOM 707 CA PHE A 110 -4.626 -4.022 -0.140 1.00 0.00 C ATOM 708 C PHE A 110 -4.325 -2.700 -0.835 1.00 0.00 C ATOM 709 O PHE A 110 -5.195 -2.117 -1.479 1.00 0.00 O ATOM 710 CB PHE A 110 -4.324 -5.191 -1.071 1.00 0.00 C ATOM 711 CG PHE A 110 -3.771 -6.395 -0.364 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.351 -6.851 0.810 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.672 -7.069 -0.870 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.844 -7.959 1.463 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.161 -8.176 -0.221 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.748 -8.622 0.948 1.00 0.00 C ATOM 0 H PHE A 110 -6.637 -4.511 -0.418 1.00 0.00 H new ATOM 0 HA PHE A 110 -3.992 -4.090 0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.238 -5.474 -1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.612 -4.866 -1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.208 -6.335 1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.209 -6.725 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.305 -8.306 2.376 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.304 -8.693 -0.627 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.350 -9.487 1.457 1.00 0.00 H new ATOM 726 N ILE A 111 -3.094 -2.224 -0.699 1.00 0.00 N ATOM 727 CA ILE A 111 -2.704 -0.963 -1.314 1.00 0.00 C ATOM 728 C ILE A 111 -1.262 -0.991 -1.815 1.00 0.00 C ATOM 729 O ILE A 111 -0.377 -1.568 -1.184 1.00 0.00 O ATOM 730 CB ILE A 111 -2.859 0.213 -0.326 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.892 0.040 0.848 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.295 0.314 0.163 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.368 1.343 1.409 1.00 0.00 C ATOM 0 H ILE A 111 -2.354 -2.688 -0.172 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.371 -0.821 -2.164 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.615 1.142 -0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.396 -0.510 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.049 -0.570 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.385 1.149 0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.958 0.477 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.573 -0.611 0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.690 1.136 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.834 1.886 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.202 1.947 1.766 1.00 0.00 H new ATOM 745 N PRO A 112 -1.015 -0.339 -2.956 1.00 0.00 N ATOM 746 CA PRO A 112 0.311 -0.247 -3.550 1.00 0.00 C ATOM 747 C PRO A 112 1.343 0.238 -2.532 1.00 0.00 C ATOM 748 O PRO A 112 1.296 1.386 -2.089 1.00 0.00 O ATOM 749 CB PRO A 112 0.145 0.779 -4.685 1.00 0.00 C ATOM 750 CG PRO A 112 -1.226 1.352 -4.530 1.00 0.00 C ATOM 751 CD PRO A 112 -2.021 0.371 -3.735 1.00 0.00 C ATOM 0 HA PRO A 112 0.671 -1.213 -3.903 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.903 1.559 -4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.261 0.304 -5.659 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.186 2.316 -4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.685 1.522 -5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.746 0.870 -3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.580 -0.307 -4.380 1.00 0.00 H new ATOM 759 N PHE A 113 2.260 -0.645 -2.147 1.00 0.00 N ATOM 760 CA PHE A 113 3.287 -0.307 -1.159 1.00 0.00 C ATOM 761 C PHE A 113 3.981 1.018 -1.485 1.00 0.00 C ATOM 762 O PHE A 113 4.501 1.687 -0.593 1.00 0.00 O ATOM 763 CB PHE A 113 4.317 -1.437 -1.048 1.00 0.00 C ATOM 764 CG PHE A 113 5.365 -1.428 -2.129 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.017 -1.220 -3.454 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.701 -1.623 -1.815 1.00 0.00 C ATOM 767 CE1 PHE A 113 5.980 -1.209 -4.445 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.669 -1.613 -2.801 1.00 0.00 C ATOM 769 CZ PHE A 113 7.308 -1.405 -4.118 1.00 0.00 C ATOM 0 H PHE A 113 2.315 -1.600 -2.502 1.00 0.00 H new ATOM 0 HA PHE A 113 2.787 -0.186 -0.198 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.811 -1.369 -0.079 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.794 -2.393 -1.073 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.981 -1.065 -3.715 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.989 -1.785 -0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.695 -1.047 -5.474 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.706 -1.768 -2.542 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.062 -1.396 -4.891 1.00 0.00 H new ATOM 779 N ASN A 114 3.991 1.390 -2.762 1.00 0.00 N ATOM 780 CA ASN A 114 4.627 2.631 -3.187 1.00 0.00 C ATOM 781 C ASN A 114 3.597 3.741 -3.367 1.00 0.00 C ATOM 782 O ASN A 114 3.763 4.625 -4.207 1.00 0.00 O ATOM 783 CB ASN A 114 5.384 2.410 -4.496 1.00 0.00 C ATOM 784 CG ASN A 114 4.528 1.741 -5.554 1.00 0.00 C ATOM 785 OD1 ASN A 114 4.144 0.580 -5.416 1.00 0.00 O ATOM 786 ND2 ASN A 114 4.224 2.474 -6.619 1.00 0.00 N ATOM 0 H ASN A 114 3.567 0.851 -3.517 1.00 0.00 H new ATOM 0 HA ASN A 114 5.328 2.936 -2.410 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.739 3.369 -4.873 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.265 1.797 -4.304 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.651 2.078 -7.364 1.00 0.00 H new ATOM 0 HD22 ASN A 114 4.564 3.433 -6.692 1.00 0.00 H new ATOM 793 N PHE A 115 2.527 3.686 -2.579 1.00 0.00 N ATOM 794 CA PHE A 115 1.466 4.684 -2.663 1.00 0.00 C ATOM 795 C PHE A 115 1.212 5.358 -1.320 1.00 0.00 C ATOM 796 O PHE A 115 0.139 5.923 -1.109 1.00 0.00 O ATOM 797 CB PHE A 115 0.173 4.022 -3.129 1.00 0.00 C ATOM 798 CG PHE A 115 -0.407 4.626 -4.371 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.353 4.756 -5.521 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.719 5.057 -4.386 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.189 5.309 -6.664 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.267 5.610 -5.521 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.503 5.738 -6.665 1.00 0.00 C ATOM 0 H PHE A 115 2.372 2.963 -1.877 1.00 0.00 H new ATOM 0 HA PHE A 115 1.789 5.444 -3.375 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.362 2.963 -3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.564 4.084 -2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.380 4.422 -5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.323 4.959 -3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.413 5.406 -7.556 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.294 5.944 -5.517 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.931 6.172 -7.557 1.00 0.00 H new ATOM 813 N VAL A 116 2.172 5.292 -0.405 1.00 0.00 N ATOM 814 CA VAL A 116 1.975 5.899 0.905 1.00 0.00 C ATOM 815 C VAL A 116 3.278 6.308 1.578 1.00 0.00 C ATOM 816 O VAL A 116 4.326 5.695 1.377 1.00 0.00 O ATOM 817 CB VAL A 116 1.209 4.949 1.842 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.223 4.781 1.365 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.916 3.602 1.937 1.00 0.00 C ATOM 0 H VAL A 116 3.074 4.836 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 116 1.393 6.803 0.725 1.00 0.00 H new ATOM 0 HB VAL A 116 1.187 5.386 2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -0.754 4.106 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.720 5.751 1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.224 4.365 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 116 1.358 2.945 2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.973 3.150 0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.923 3.746 2.328 1.00 0.00 H new ATOM 829 N ALA A 117 3.180 7.349 2.399 1.00 0.00 N ATOM 830 CA ALA A 117 4.312 7.870 3.148 1.00 0.00 C ATOM 831 C ALA A 117 3.862 8.257 4.553 1.00 0.00 C ATOM 832 O ALA A 117 2.786 8.825 4.727 1.00 0.00 O ATOM 833 CB ALA A 117 4.920 9.067 2.432 1.00 0.00 C ATOM 0 H ALA A 117 2.309 7.855 2.562 1.00 0.00 H new ATOM 0 HA ALA A 117 5.076 7.096 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.766 9.444 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.260 8.764 1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.170 9.852 2.334 1.00 0.00 H new ATOM 839 N LYS A 118 4.677 7.932 5.551 1.00 0.00 N ATOM 840 CA LYS A 118 4.349 8.230 6.947 1.00 0.00 C ATOM 841 C LYS A 118 3.686 9.597 7.099 1.00 0.00 C ATOM 842 O LYS A 118 4.085 10.565 6.451 1.00 0.00 O ATOM 843 CB LYS A 118 5.614 8.175 7.805 1.00 0.00 C ATOM 844 CG LYS A 118 6.271 6.807 7.833 1.00 0.00 C ATOM 845 CD LYS A 118 5.262 5.716 8.143 1.00 0.00 C ATOM 846 CE LYS A 118 5.918 4.346 8.205 1.00 0.00 C ATOM 847 NZ LYS A 118 5.046 3.342 8.874 1.00 0.00 N ATOM 0 H LYS A 118 5.572 7.461 5.422 1.00 0.00 H new ATOM 0 HA LYS A 118 3.639 7.475 7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.330 8.905 7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.365 8.470 8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.741 6.607 6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.062 6.797 8.582 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.775 5.930 9.094 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.483 5.713 7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.151 4.009 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.864 4.420 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.530 2.422 8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 4.845 3.650 9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.154 3.252 8.348 1.00 0.00 H new ATOM 861 N ALA A 119 2.674 9.667 7.964 1.00 0.00 N ATOM 862 CA ALA A 119 1.956 10.920 8.209 1.00 0.00 C ATOM 863 C ALA A 119 2.833 11.916 8.964 1.00 0.00 C ATOM 864 O ALA A 119 2.442 12.437 10.009 1.00 0.00 O ATOM 865 CB ALA A 119 0.667 10.668 8.988 1.00 0.00 C ATOM 0 H ALA A 119 2.333 8.873 8.506 1.00 0.00 H new ATOM 0 HA ALA A 119 1.701 11.346 7.239 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.153 11.614 9.157 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.021 10.001 8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 119 0.905 10.209 9.947 1.00 0.00 H new ATOM 871 N ASN A 120 4.021 12.178 8.428 1.00 0.00 N ATOM 872 CA ASN A 120 4.951 13.112 9.052 1.00 0.00 C ATOM 873 C ASN A 120 5.332 14.229 8.085 1.00 0.00 C ATOM 874 O ASN A 120 5.402 13.958 6.868 1.00 0.00 O ATOM 875 CB ASN A 120 6.208 12.375 9.519 1.00 0.00 C ATOM 876 CG ASN A 120 6.101 11.906 10.957 1.00 0.00 C ATOM 877 OD1 ASN A 120 6.920 12.268 11.801 1.00 0.00 O ATOM 878 ND2 ASN A 120 5.089 11.094 11.241 1.00 0.00 N ATOM 879 OXT ASN A 120 5.557 15.364 8.553 1.00 0.00 O ATOM 0 H ASN A 120 4.362 11.757 7.564 1.00 0.00 H new ATOM 0 HA ASN A 120 4.456 13.557 9.915 1.00 0.00 H new ATOM 0 HB2 ASN A 120 6.384 11.516 8.871 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.071 13.033 9.417 1.00 0.00 H new ATOM 0 HD21 ASN A 120 4.967 10.744 12.191 1.00 0.00 H new ATOM 0 HD22 ASN A 120 4.434 10.820 10.509 1.00 0.00 H new