USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=9 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 176:sc= -0.544! USER MOD Set 1.2: A 107 GLN : amide:sc= -2.68! C(o=-3.2!,f=-7.9!) USER MOD Single : A 70 HIS : no HE2:sc= -5.31! C(o=-5.3!,f=-5.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0878 USER MOD Single : A 72 TYR OH : rot 71:sc= -0.536 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0398 USER MOD Single : A 99 LYS NZ :NH3+ -129:sc= -2.55 (180deg=-6.99!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.134 USER MOD Single : A 104 THR OG1 : rot 128:sc= 0.132 USER MOD Single : A 114 ASN : amide:sc= -0.725 K(o=-0.73,f=-1.3!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 65 1.081 3.831 10.726 1.00 0.00 N ATOM 16 CA LEU A 65 0.203 4.579 9.855 1.00 0.00 C ATOM 17 C LEU A 65 0.977 5.353 8.811 1.00 0.00 C ATOM 18 O LEU A 65 2.054 5.891 9.067 1.00 0.00 O ATOM 19 CB LEU A 65 -0.692 5.525 10.643 1.00 0.00 C ATOM 20 CG LEU A 65 -1.433 6.547 9.798 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.306 5.842 8.775 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.264 7.475 10.673 1.00 0.00 C ATOM 0 HA LEU A 65 -0.426 3.849 9.345 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.421 4.935 11.199 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.083 6.053 11.377 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.701 7.157 9.269 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.833 6.583 8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.682 5.226 8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.030 5.210 9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.785 8.198 10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.993 6.890 11.234 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.610 8.003 11.367 1.00 0.00 H new ATOM 34 N VAL A 66 0.398 5.387 7.632 1.00 0.00 N ATOM 35 CA VAL A 66 0.983 6.072 6.497 1.00 0.00 C ATOM 36 C VAL A 66 0.023 7.087 5.891 1.00 0.00 C ATOM 37 O VAL A 66 -1.086 7.290 6.379 1.00 0.00 O ATOM 38 CB VAL A 66 1.369 5.073 5.408 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.683 4.391 5.743 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.263 4.049 5.197 1.00 0.00 C ATOM 0 H VAL A 66 -0.496 4.939 7.431 1.00 0.00 H new ATOM 0 HA VAL A 66 1.866 6.592 6.867 1.00 0.00 H new ATOM 0 HB VAL A 66 1.502 5.622 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.938 3.684 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.470 5.140 5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.586 3.859 6.689 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.560 3.348 4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.088 3.506 6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.653 4.559 4.897 1.00 0.00 H new ATOM 50 N ILE A 67 0.463 7.709 4.806 1.00 0.00 N ATOM 51 CA ILE A 67 -0.344 8.688 4.105 1.00 0.00 C ATOM 52 C ILE A 67 -0.060 8.645 2.608 1.00 0.00 C ATOM 53 O ILE A 67 1.088 8.726 2.175 1.00 0.00 O ATOM 54 CB ILE A 67 -0.134 10.114 4.672 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.377 10.512 5.453 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.149 11.124 3.568 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.425 11.964 5.876 1.00 0.00 C ATOM 0 H ILE A 67 1.382 7.549 4.393 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.391 8.429 4.263 1.00 0.00 H new ATOM 0 HB ILE A 67 0.737 10.109 5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.255 10.297 4.844 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.445 9.887 6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.290 12.112 4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.052 10.833 3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.692 11.151 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.347 12.152 6.426 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.570 12.185 6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.393 12.602 4.993 1.00 0.00 H new ATOM 69 N ALA A 68 -1.123 8.499 1.830 1.00 0.00 N ATOM 70 CA ALA A 68 -1.009 8.421 0.378 1.00 0.00 C ATOM 71 C ALA A 68 -0.482 9.718 -0.224 1.00 0.00 C ATOM 72 O ALA A 68 -0.675 10.800 0.329 1.00 0.00 O ATOM 73 CB ALA A 68 -2.352 8.060 -0.239 1.00 0.00 C ATOM 0 H ALA A 68 -2.079 8.432 2.180 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.287 7.637 0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.252 8.005 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.680 7.094 0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.088 8.822 0.019 1.00 0.00 H new ATOM 79 N LEU A 69 0.180 9.591 -1.368 1.00 0.00 N ATOM 80 CA LEU A 69 0.739 10.738 -2.072 1.00 0.00 C ATOM 81 C LEU A 69 0.147 10.857 -3.476 1.00 0.00 C ATOM 82 O LEU A 69 0.675 11.581 -4.322 1.00 0.00 O ATOM 83 CB LEU A 69 2.258 10.599 -2.169 1.00 0.00 C ATOM 84 CG LEU A 69 3.003 10.729 -0.837 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.501 10.508 -1.022 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.743 12.097 -0.225 1.00 0.00 C ATOM 0 H LEU A 69 0.343 8.697 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 69 0.488 11.638 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.492 9.629 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.635 11.358 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 69 2.630 9.960 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.005 10.606 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.675 9.509 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.895 11.251 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.277 12.180 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.091 12.873 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.674 12.220 -0.051 1.00 0.00 H new ATOM 98 N HIS A 70 -0.942 10.133 -3.723 1.00 0.00 N ATOM 99 CA HIS A 70 -1.592 10.147 -5.030 1.00 0.00 C ATOM 100 C HIS A 70 -2.955 9.465 -4.961 1.00 0.00 C ATOM 101 O HIS A 70 -3.114 8.446 -4.289 1.00 0.00 O ATOM 102 CB HIS A 70 -0.717 9.443 -6.085 1.00 0.00 C ATOM 103 CG HIS A 70 0.496 8.750 -5.528 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.712 8.727 -6.178 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.678 8.061 -4.376 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.587 8.059 -5.449 1.00 0.00 C ATOM 107 NE2 HIS A 70 1.988 7.644 -4.350 1.00 0.00 N ATOM 0 H HIS A 70 -1.392 9.530 -3.035 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.729 11.188 -5.322 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.327 8.711 -6.614 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.393 10.180 -6.820 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.905 9.159 -7.082 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.068 7.874 -3.618 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.620 7.882 -5.709 1.00 0.00 H new ATOM 116 N SER A 71 -3.936 10.024 -5.665 1.00 0.00 N ATOM 117 CA SER A 71 -5.278 9.453 -5.683 1.00 0.00 C ATOM 118 C SER A 71 -5.229 8.006 -6.158 1.00 0.00 C ATOM 119 O SER A 71 -4.707 7.716 -7.234 1.00 0.00 O ATOM 120 CB SER A 71 -6.198 10.267 -6.592 1.00 0.00 C ATOM 121 OG SER A 71 -5.734 11.599 -6.730 1.00 0.00 O ATOM 0 H SER A 71 -3.827 10.868 -6.228 1.00 0.00 H new ATOM 0 HA SER A 71 -5.675 9.482 -4.668 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.255 9.795 -7.573 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.208 10.271 -6.182 1.00 0.00 H new ATOM 0 HG SER A 71 -6.340 12.097 -7.318 1.00 0.00 H new ATOM 127 N TYR A 72 -5.756 7.100 -5.345 1.00 0.00 N ATOM 128 CA TYR A 72 -5.742 5.679 -5.693 1.00 0.00 C ATOM 129 C TYR A 72 -7.098 5.174 -6.171 1.00 0.00 C ATOM 130 O TYR A 72 -8.147 5.610 -5.697 1.00 0.00 O ATOM 131 CB TYR A 72 -5.293 4.832 -4.503 1.00 0.00 C ATOM 132 CG TYR A 72 -5.008 3.394 -4.873 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.223 3.080 -5.977 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.532 2.349 -4.125 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.972 1.767 -6.323 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.281 1.035 -4.463 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.502 0.749 -5.562 1.00 0.00 C ATOM 138 OH TYR A 72 -4.258 -0.558 -5.904 1.00 0.00 O ATOM 0 H TYR A 72 -6.194 7.316 -4.450 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.034 5.579 -6.515 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.396 5.274 -4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.066 4.857 -3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.803 3.876 -6.574 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.146 2.568 -3.264 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.363 1.540 -7.186 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.694 0.234 -3.868 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.320 -0.774 -5.721 1.00 0.00 H new ATOM 148 N GLU A 73 -7.051 4.228 -7.105 1.00 0.00 N ATOM 149 CA GLU A 73 -8.241 3.615 -7.657 1.00 0.00 C ATOM 150 C GLU A 73 -8.039 2.104 -7.781 1.00 0.00 C ATOM 151 O GLU A 73 -7.488 1.617 -8.768 1.00 0.00 O ATOM 152 CB GLU A 73 -8.553 4.216 -9.011 1.00 0.00 C ATOM 153 CG GLU A 73 -9.873 4.958 -9.049 1.00 0.00 C ATOM 154 CD GLU A 73 -10.025 5.818 -10.288 1.00 0.00 C ATOM 155 OE1 GLU A 73 -9.222 6.760 -10.459 1.00 0.00 O ATOM 156 OE2 GLU A 73 -10.947 5.552 -11.087 1.00 0.00 O ATOM 0 H GLU A 73 -6.181 3.868 -7.497 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.082 3.803 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.752 4.900 -9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.569 3.422 -9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.691 4.239 -9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.957 5.587 -8.163 1.00 0.00 H new ATOM 163 N PRO A 74 -8.477 1.353 -6.762 1.00 0.00 N ATOM 164 CA PRO A 74 -8.356 -0.100 -6.701 1.00 0.00 C ATOM 165 C PRO A 74 -8.564 -0.783 -8.049 1.00 0.00 C ATOM 166 O PRO A 74 -9.623 -0.663 -8.665 1.00 0.00 O ATOM 167 CB PRO A 74 -9.460 -0.510 -5.709 1.00 0.00 C ATOM 168 CG PRO A 74 -10.081 0.766 -5.223 1.00 0.00 C ATOM 169 CD PRO A 74 -9.125 1.869 -5.571 1.00 0.00 C ATOM 0 HA PRO A 74 -7.353 -0.402 -6.400 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.202 -1.144 -6.193 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.045 -1.082 -4.879 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.050 0.930 -5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.253 0.728 -4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.642 2.809 -5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.411 2.057 -4.769 1.00 0.00 H new ATOM 177 N SER A 75 -7.541 -1.506 -8.493 1.00 0.00 N ATOM 178 CA SER A 75 -7.597 -2.224 -9.760 1.00 0.00 C ATOM 179 C SER A 75 -7.432 -3.724 -9.535 1.00 0.00 C ATOM 180 O SER A 75 -8.064 -4.536 -10.210 1.00 0.00 O ATOM 181 CB SER A 75 -6.511 -1.714 -10.710 1.00 0.00 C ATOM 182 OG SER A 75 -6.650 -2.285 -11.999 1.00 0.00 O ATOM 0 H SER A 75 -6.659 -1.610 -7.991 1.00 0.00 H new ATOM 0 HA SER A 75 -8.573 -2.045 -10.211 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.568 -0.628 -10.782 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.528 -1.956 -10.306 1.00 0.00 H new ATOM 0 HG SER A 75 -5.945 -1.941 -12.587 1.00 0.00 H new ATOM 188 N HIS A 76 -6.582 -4.084 -8.577 1.00 0.00 N ATOM 189 CA HIS A 76 -6.336 -5.486 -8.257 1.00 0.00 C ATOM 190 C HIS A 76 -7.435 -6.031 -7.348 1.00 0.00 C ATOM 191 O HIS A 76 -8.289 -5.282 -6.876 1.00 0.00 O ATOM 192 CB HIS A 76 -4.970 -5.649 -7.585 1.00 0.00 C ATOM 193 CG HIS A 76 -3.856 -5.912 -8.551 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.671 -5.178 -9.704 1.00 0.00 N ATOM 195 CD2 HIS A 76 -2.864 -6.833 -8.531 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.614 -5.638 -10.350 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.107 -6.641 -9.659 1.00 0.00 N ATOM 0 H HIS A 76 -6.052 -3.423 -8.009 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.340 -6.054 -9.187 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.743 -4.746 -7.018 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.021 -6.470 -6.870 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.699 -7.580 -7.769 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -2.230 -5.257 -11.285 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.285 -7.186 -9.921 1.00 0.00 H new ATOM 206 N ASP A 77 -7.406 -7.338 -7.107 1.00 0.00 N ATOM 207 CA ASP A 77 -8.401 -7.980 -6.255 1.00 0.00 C ATOM 208 C ASP A 77 -8.069 -7.779 -4.780 1.00 0.00 C ATOM 209 O ASP A 77 -6.902 -7.794 -4.390 1.00 0.00 O ATOM 210 CB ASP A 77 -8.486 -9.474 -6.571 1.00 0.00 C ATOM 211 CG ASP A 77 -9.874 -10.037 -6.335 1.00 0.00 C ATOM 212 OD1 ASP A 77 -10.857 -9.384 -6.744 1.00 0.00 O ATOM 213 OD2 ASP A 77 -9.977 -11.131 -5.741 1.00 0.00 O ATOM 0 H ASP A 77 -6.705 -7.973 -7.489 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.367 -7.517 -6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.202 -9.639 -7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.768 -10.014 -5.954 1.00 0.00 H new ATOM 218 N GLY A 78 -9.102 -7.590 -3.964 1.00 0.00 N ATOM 219 CA GLY A 78 -8.895 -7.390 -2.541 1.00 0.00 C ATOM 220 C GLY A 78 -8.050 -6.169 -2.246 1.00 0.00 C ATOM 221 O GLY A 78 -7.227 -6.185 -1.332 1.00 0.00 O ATOM 0 H GLY A 78 -10.077 -7.572 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.861 -7.288 -2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.413 -8.272 -2.119 1.00 0.00 H new ATOM 225 N ASP A 79 -8.254 -5.106 -3.018 1.00 0.00 N ATOM 226 CA ASP A 79 -7.499 -3.874 -2.832 1.00 0.00 C ATOM 227 C ASP A 79 -8.341 -2.811 -2.137 1.00 0.00 C ATOM 228 O ASP A 79 -9.570 -2.833 -2.200 1.00 0.00 O ATOM 229 CB ASP A 79 -7.000 -3.346 -4.175 1.00 0.00 C ATOM 230 CG ASP A 79 -5.967 -4.260 -4.801 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.258 -5.463 -4.961 1.00 0.00 O ATOM 232 OD2 ASP A 79 -4.867 -3.772 -5.127 1.00 0.00 O ATOM 0 H ASP A 79 -8.935 -5.074 -3.777 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.642 -4.102 -2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.844 -3.234 -4.856 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.569 -2.355 -4.036 1.00 0.00 H new ATOM 237 N LEU A 80 -7.663 -1.881 -1.479 1.00 0.00 N ATOM 238 CA LEU A 80 -8.329 -0.797 -0.771 1.00 0.00 C ATOM 239 C LEU A 80 -8.059 0.530 -1.472 1.00 0.00 C ATOM 240 O LEU A 80 -6.908 0.874 -1.745 1.00 0.00 O ATOM 241 CB LEU A 80 -7.848 -0.755 0.690 1.00 0.00 C ATOM 242 CG LEU A 80 -7.799 0.628 1.348 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.170 1.019 1.882 1.00 0.00 C ATOM 244 CD2 LEU A 80 -6.763 0.642 2.462 1.00 0.00 C ATOM 0 H LEU A 80 -6.645 -1.856 -1.421 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.405 -0.971 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.502 -1.394 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.850 -1.191 0.734 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.509 1.361 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.113 2.004 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.886 1.045 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.494 0.288 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.737 1.630 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.027 -0.102 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.782 0.408 2.049 1.00 0.00 H new ATOM 256 N GLY A 81 -9.120 1.272 -1.759 1.00 0.00 N ATOM 257 CA GLY A 81 -8.964 2.550 -2.422 1.00 0.00 C ATOM 258 C GLY A 81 -8.871 3.698 -1.443 1.00 0.00 C ATOM 259 O GLY A 81 -9.515 3.687 -0.394 1.00 0.00 O ATOM 0 H GLY A 81 -10.083 1.012 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.066 2.529 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.808 2.714 -3.092 1.00 0.00 H new ATOM 263 N PHE A 82 -8.062 4.691 -1.787 1.00 0.00 N ATOM 264 CA PHE A 82 -7.879 5.854 -0.935 1.00 0.00 C ATOM 265 C PHE A 82 -7.618 7.094 -1.769 1.00 0.00 C ATOM 266 O PHE A 82 -7.515 7.024 -2.994 1.00 0.00 O ATOM 267 CB PHE A 82 -6.720 5.636 0.039 1.00 0.00 C ATOM 268 CG PHE A 82 -5.559 4.875 -0.546 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.676 3.527 -0.846 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.350 5.509 -0.795 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.611 2.827 -1.380 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.282 4.810 -1.332 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.414 3.469 -1.623 1.00 0.00 C ATOM 0 H PHE A 82 -7.522 4.713 -2.652 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.797 5.997 -0.365 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.366 6.606 0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.090 5.099 0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.610 3.018 -0.660 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.241 6.559 -0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.716 1.776 -1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.347 5.315 -1.523 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.582 2.922 -2.041 1.00 0.00 H new ATOM 283 N GLU A 83 -7.513 8.231 -1.098 1.00 0.00 N ATOM 284 CA GLU A 83 -7.265 9.488 -1.778 1.00 0.00 C ATOM 285 C GLU A 83 -5.835 9.959 -1.537 1.00 0.00 C ATOM 286 O GLU A 83 -5.105 9.373 -0.740 1.00 0.00 O ATOM 287 CB GLU A 83 -8.254 10.541 -1.286 1.00 0.00 C ATOM 288 CG GLU A 83 -9.333 10.877 -2.299 1.00 0.00 C ATOM 289 CD GLU A 83 -9.549 12.370 -2.452 1.00 0.00 C ATOM 290 OE1 GLU A 83 -8.730 13.022 -3.133 1.00 0.00 O ATOM 291 OE2 GLU A 83 -10.537 12.888 -1.888 1.00 0.00 O ATOM 0 H GLU A 83 -7.596 8.307 -0.084 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.399 9.339 -2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.725 10.186 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.709 11.450 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.063 10.452 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.269 10.408 -1.996 1.00 0.00 H new ATOM 298 N LYS A 84 -5.445 11.028 -2.216 1.00 0.00 N ATOM 299 CA LYS A 84 -4.111 11.578 -2.048 1.00 0.00 C ATOM 300 C LYS A 84 -4.025 12.269 -0.691 1.00 0.00 C ATOM 301 O LYS A 84 -4.891 13.068 -0.335 1.00 0.00 O ATOM 302 CB LYS A 84 -3.781 12.539 -3.188 1.00 0.00 C ATOM 303 CG LYS A 84 -2.569 13.416 -2.917 1.00 0.00 C ATOM 304 CD LYS A 84 -2.487 14.573 -3.896 1.00 0.00 C ATOM 305 CE LYS A 84 -1.732 15.753 -3.304 1.00 0.00 C ATOM 306 NZ LYS A 84 -2.396 17.049 -3.611 1.00 0.00 N ATOM 0 H LYS A 84 -6.031 11.528 -2.885 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.374 10.775 -2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.606 11.964 -4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.645 13.177 -3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.619 13.803 -1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.662 12.816 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.991 14.244 -4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.493 14.887 -4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.657 15.631 -2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.714 15.765 -3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.850 17.827 -3.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.445 17.179 -4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.358 17.048 -3.216 1.00 0.00 H new ATOM 320 N GLY A 85 -3.000 11.926 0.078 1.00 0.00 N ATOM 321 CA GLY A 85 -2.850 12.490 1.408 1.00 0.00 C ATOM 322 C GLY A 85 -3.672 11.730 2.430 1.00 0.00 C ATOM 323 O GLY A 85 -3.507 11.917 3.635 1.00 0.00 O ATOM 0 H GLY A 85 -2.270 11.268 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.799 12.469 1.697 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.157 13.536 1.398 1.00 0.00 H new ATOM 327 N GLU A 86 -4.551 10.850 1.945 1.00 0.00 N ATOM 328 CA GLU A 86 -5.386 10.037 2.812 1.00 0.00 C ATOM 329 C GLU A 86 -4.517 9.242 3.765 1.00 0.00 C ATOM 330 O GLU A 86 -3.310 9.125 3.562 1.00 0.00 O ATOM 331 CB GLU A 86 -6.232 9.077 1.970 1.00 0.00 C ATOM 332 CG GLU A 86 -7.654 8.836 2.464 1.00 0.00 C ATOM 333 CD GLU A 86 -8.049 9.676 3.666 1.00 0.00 C ATOM 334 OE1 GLU A 86 -7.723 9.277 4.804 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.685 10.733 3.467 1.00 0.00 O ATOM 0 H GLU A 86 -4.698 10.687 0.949 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.045 10.691 3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.282 9.464 0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.717 8.117 1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.349 9.040 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.763 7.782 2.720 1.00 0.00 H new ATOM 342 N GLN A 87 -5.128 8.690 4.796 1.00 0.00 N ATOM 343 CA GLN A 87 -4.388 7.903 5.768 1.00 0.00 C ATOM 344 C GLN A 87 -4.953 6.501 5.883 1.00 0.00 C ATOM 345 O GLN A 87 -6.155 6.278 5.745 1.00 0.00 O ATOM 346 CB GLN A 87 -4.387 8.580 7.135 1.00 0.00 C ATOM 347 CG GLN A 87 -4.144 10.074 7.063 1.00 0.00 C ATOM 348 CD GLN A 87 -4.959 10.851 8.080 1.00 0.00 C ATOM 349 OE1 GLN A 87 -6.085 11.265 7.803 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.392 11.053 9.263 1.00 0.00 N ATOM 0 H GLN A 87 -6.128 8.770 4.983 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.359 7.832 5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.344 8.398 7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.618 8.123 7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.085 10.274 7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.387 10.429 6.062 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.456 10.691 9.449 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.892 11.570 9.987 1.00 0.00 H new ATOM 359 N LEU A 88 -4.059 5.566 6.137 1.00 0.00 N ATOM 360 CA LEU A 88 -4.420 4.164 6.281 1.00 0.00 C ATOM 361 C LEU A 88 -3.515 3.493 7.287 1.00 0.00 C ATOM 362 O LEU A 88 -2.290 3.558 7.180 1.00 0.00 O ATOM 363 CB LEU A 88 -4.311 3.415 4.953 1.00 0.00 C ATOM 364 CG LEU A 88 -4.524 4.252 3.693 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.458 3.925 2.662 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.912 4.003 3.132 1.00 0.00 C ATOM 0 H LEU A 88 -3.063 5.753 6.250 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.455 4.131 6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.324 2.956 4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.040 2.605 4.955 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.441 5.308 3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.620 4.527 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.473 4.145 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.515 2.868 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.055 4.604 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.020 2.947 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.660 4.279 3.876 1.00 0.00 H new ATOM 378 N ARG A 89 -4.119 2.831 8.250 1.00 0.00 N ATOM 379 CA ARG A 89 -3.371 2.131 9.257 1.00 0.00 C ATOM 380 C ARG A 89 -2.901 0.797 8.693 1.00 0.00 C ATOM 381 O ARG A 89 -3.680 -0.143 8.546 1.00 0.00 O ATOM 382 CB ARG A 89 -4.233 1.936 10.495 1.00 0.00 C ATOM 383 CG ARG A 89 -3.644 0.951 11.466 1.00 0.00 C ATOM 384 CD ARG A 89 -4.458 0.883 12.739 1.00 0.00 C ATOM 385 NE ARG A 89 -3.695 0.313 13.845 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.246 -0.281 14.901 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.565 -0.380 15.005 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.474 -0.776 15.859 1.00 0.00 N ATOM 0 H ARG A 89 -5.132 2.766 8.352 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.496 2.712 9.547 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.366 2.896 10.994 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.223 1.594 10.193 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.601 -0.036 11.006 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.619 1.237 11.702 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.794 1.884 13.008 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.351 0.282 12.567 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.678 0.374 13.806 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.164 0.001 14.273 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.980 -0.837 15.817 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.459 -0.701 15.786 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.895 -1.231 16.669 1.00 0.00 H new ATOM 402 N ILE A 90 -1.626 0.746 8.351 1.00 0.00 N ATOM 403 CA ILE A 90 -1.033 -0.444 7.761 1.00 0.00 C ATOM 404 C ILE A 90 -1.186 -1.664 8.652 1.00 0.00 C ATOM 405 O ILE A 90 -0.579 -1.761 9.718 1.00 0.00 O ATOM 406 CB ILE A 90 0.460 -0.226 7.433 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.644 1.059 6.630 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.020 -1.407 6.660 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.012 1.023 5.266 1.00 0.00 C ATOM 0 H ILE A 90 -0.975 1.522 8.473 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.577 -0.629 6.835 1.00 0.00 H new ATOM 0 HB ILE A 90 1.005 -0.138 8.373 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.235 1.894 7.198 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.710 1.250 6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.073 -1.231 6.440 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.920 -2.313 7.258 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.469 -1.525 5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.161 1.970 4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.414 0.210 4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.084 0.864 5.382 1.00 0.00 H new ATOM 421 N LEU A 91 -1.987 -2.605 8.176 1.00 0.00 N ATOM 422 CA LEU A 91 -2.223 -3.852 8.878 1.00 0.00 C ATOM 423 C LEU A 91 -1.050 -4.778 8.631 1.00 0.00 C ATOM 424 O LEU A 91 -0.488 -5.369 9.552 1.00 0.00 O ATOM 425 CB LEU A 91 -3.514 -4.484 8.366 1.00 0.00 C ATOM 426 CG LEU A 91 -4.693 -3.510 8.273 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.924 -4.179 7.687 1.00 0.00 C ATOM 428 CD2 LEU A 91 -5.003 -2.911 9.638 1.00 0.00 C ATOM 0 H LEU A 91 -2.490 -2.523 7.293 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.322 -3.671 9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.331 -4.911 7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.788 -5.308 9.024 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.404 -2.704 7.599 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.740 -3.458 7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.698 -4.543 6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.219 -5.017 8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.843 -2.222 9.551 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.259 -3.708 10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.129 -2.373 10.006 1.00 0.00 H new ATOM 440 N GLU A 92 -0.672 -4.860 7.365 1.00 0.00 N ATOM 441 CA GLU A 92 0.455 -5.666 6.947 1.00 0.00 C ATOM 442 C GLU A 92 1.196 -4.963 5.824 1.00 0.00 C ATOM 443 O GLU A 92 0.583 -4.421 4.909 1.00 0.00 O ATOM 444 CB GLU A 92 0.003 -7.055 6.512 1.00 0.00 C ATOM 445 CG GLU A 92 0.596 -8.149 7.374 1.00 0.00 C ATOM 446 CD GLU A 92 -0.452 -8.905 8.168 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.101 -8.285 9.038 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.626 -10.117 7.920 1.00 0.00 O ATOM 0 H GLU A 92 -1.139 -4.369 6.603 1.00 0.00 H new ATOM 0 HA GLU A 92 1.130 -5.791 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.085 -7.111 6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.289 -7.219 5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.140 -8.849 6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.320 -7.711 8.061 1.00 0.00 H new ATOM 455 N GLN A 93 2.515 -4.950 5.909 1.00 0.00 N ATOM 456 CA GLN A 93 3.327 -4.281 4.906 1.00 0.00 C ATOM 457 C GLN A 93 4.312 -5.244 4.263 1.00 0.00 C ATOM 458 O GLN A 93 5.432 -4.870 3.917 1.00 0.00 O ATOM 459 CB GLN A 93 4.059 -3.105 5.533 1.00 0.00 C ATOM 460 CG GLN A 93 4.486 -3.380 6.943 1.00 0.00 C ATOM 461 CD GLN A 93 5.006 -2.151 7.662 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.241 -1.404 8.271 1.00 0.00 O ATOM 463 NE2 GLN A 93 6.315 -1.935 7.593 1.00 0.00 N ATOM 0 H GLN A 93 3.045 -5.393 6.659 1.00 0.00 H new ATOM 0 HA GLN A 93 2.668 -3.911 4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.936 -2.865 4.932 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.412 -2.228 5.517 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.641 -3.787 7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.262 -4.145 6.938 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.912 -2.581 7.077 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.723 -1.123 8.056 1.00 0.00 H new ATOM 472 N SER A 94 3.874 -6.482 4.092 1.00 0.00 N ATOM 473 CA SER A 94 4.699 -7.505 3.473 1.00 0.00 C ATOM 474 C SER A 94 4.374 -7.604 1.988 1.00 0.00 C ATOM 475 O SER A 94 3.224 -7.832 1.610 1.00 0.00 O ATOM 476 CB SER A 94 4.481 -8.856 4.155 1.00 0.00 C ATOM 477 OG SER A 94 3.412 -8.795 5.084 1.00 0.00 O ATOM 0 H SER A 94 2.948 -6.802 4.375 1.00 0.00 H new ATOM 0 HA SER A 94 5.747 -7.228 3.589 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.270 -9.616 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.394 -9.159 4.667 1.00 0.00 H new ATOM 0 HG SER A 94 3.293 -9.672 5.504 1.00 0.00 H new ATOM 483 N GLY A 95 5.385 -7.422 1.152 1.00 0.00 N ATOM 484 CA GLY A 95 5.176 -7.484 -0.281 1.00 0.00 C ATOM 485 C GLY A 95 4.881 -6.133 -0.883 1.00 0.00 C ATOM 486 O GLY A 95 4.452 -5.210 -0.194 1.00 0.00 O ATOM 0 H GLY A 95 6.345 -7.233 1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.063 -7.903 -0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.349 -8.161 -0.495 1.00 0.00 H new ATOM 490 N GLU A 96 5.113 -6.029 -2.183 1.00 0.00 N ATOM 491 CA GLU A 96 4.877 -4.797 -2.917 1.00 0.00 C ATOM 492 C GLU A 96 3.482 -4.228 -2.624 1.00 0.00 C ATOM 493 O GLU A 96 3.235 -3.041 -2.828 1.00 0.00 O ATOM 494 CB GLU A 96 5.052 -5.062 -4.409 1.00 0.00 C ATOM 495 CG GLU A 96 4.104 -4.270 -5.262 1.00 0.00 C ATOM 496 CD GLU A 96 4.387 -4.398 -6.745 1.00 0.00 C ATOM 497 OE1 GLU A 96 4.214 -5.508 -7.290 1.00 0.00 O ATOM 498 OE2 GLU A 96 4.782 -3.387 -7.364 1.00 0.00 O ATOM 0 H GLU A 96 5.469 -6.794 -2.756 1.00 0.00 H new ATOM 0 HA GLU A 96 5.602 -4.050 -2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.076 -4.824 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.905 -6.124 -4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.084 -4.600 -5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.160 -3.219 -4.977 1.00 0.00 H new ATOM 505 N TRP A 97 2.576 -5.075 -2.147 1.00 0.00 N ATOM 506 CA TRP A 97 1.222 -4.640 -1.831 1.00 0.00 C ATOM 507 C TRP A 97 0.970 -4.716 -0.327 1.00 0.00 C ATOM 508 O TRP A 97 0.853 -5.802 0.239 1.00 0.00 O ATOM 509 CB TRP A 97 0.208 -5.493 -2.590 1.00 0.00 C ATOM 510 CG TRP A 97 0.092 -5.103 -4.030 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.839 -5.574 -5.072 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.815 -4.146 -4.588 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.455 -4.963 -6.242 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.560 -4.083 -5.969 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.818 -3.337 -4.050 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.270 -3.239 -6.819 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.521 -2.502 -4.892 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.245 -2.457 -6.264 1.00 0.00 C ATOM 0 H TRP A 97 2.755 -6.064 -1.971 1.00 0.00 H new ATOM 0 HA TRP A 97 1.107 -3.601 -2.141 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.499 -6.541 -2.524 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.768 -5.402 -2.113 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.618 -6.318 -4.989 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.859 -5.136 -7.162 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.039 -3.365 -2.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.058 -3.203 -7.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.298 -1.871 -4.486 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.813 -1.791 -6.897 1.00 0.00 H new ATOM 529 N TRP A 98 0.904 -3.552 0.318 1.00 0.00 N ATOM 530 CA TRP A 98 0.686 -3.487 1.760 1.00 0.00 C ATOM 531 C TRP A 98 -0.791 -3.439 2.116 1.00 0.00 C ATOM 532 O TRP A 98 -1.581 -2.749 1.472 1.00 0.00 O ATOM 533 CB TRP A 98 1.376 -2.261 2.355 1.00 0.00 C ATOM 534 CG TRP A 98 2.868 -2.356 2.355 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.629 -3.378 1.872 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.777 -1.389 2.876 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.962 -3.104 2.065 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.077 -1.882 2.677 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.609 -0.152 3.490 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.209 -1.172 3.074 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.727 0.556 3.884 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.015 0.045 3.672 1.00 0.00 C ATOM 0 H TRP A 98 0.998 -2.643 -0.136 1.00 0.00 H new ATOM 0 HA TRP A 98 1.113 -4.398 2.180 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.076 -1.377 1.792 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.029 -2.120 3.379 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.242 -4.272 1.406 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.738 -3.710 1.797 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.620 0.248 3.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.202 -1.567 2.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.607 1.517 4.362 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.872 0.623 3.987 1.00 0.00 H new ATOM 553 N LYS A 99 -1.142 -4.151 3.177 1.00 0.00 N ATOM 554 CA LYS A 99 -2.505 -4.177 3.673 1.00 0.00 C ATOM 555 C LYS A 99 -2.710 -3.015 4.633 1.00 0.00 C ATOM 556 O LYS A 99 -2.071 -2.955 5.681 1.00 0.00 O ATOM 557 CB LYS A 99 -2.785 -5.500 4.392 1.00 0.00 C ATOM 558 CG LYS A 99 -4.156 -5.570 5.041 1.00 0.00 C ATOM 559 CD LYS A 99 -5.204 -4.895 4.189 1.00 0.00 C ATOM 560 CE LYS A 99 -6.603 -5.352 4.560 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.292 -6.023 3.424 1.00 0.00 N ATOM 0 H LYS A 99 -0.491 -4.724 3.714 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.194 -4.086 2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.690 -6.318 3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.024 -5.655 5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.431 -6.612 5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.121 -5.095 6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.130 -3.814 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.016 -5.114 3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.548 -6.037 5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.191 -4.493 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.230 -5.596 3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.728 -5.907 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.401 -7.036 3.633 1.00 0.00 H new ATOM 575 N ALA A 100 -3.584 -2.085 4.275 1.00 0.00 N ATOM 576 CA ALA A 100 -3.834 -0.928 5.122 1.00 0.00 C ATOM 577 C ALA A 100 -5.288 -0.829 5.529 1.00 0.00 C ATOM 578 O ALA A 100 -6.189 -1.117 4.741 1.00 0.00 O ATOM 579 CB ALA A 100 -3.415 0.354 4.418 1.00 0.00 C ATOM 0 H ALA A 100 -4.127 -2.108 3.412 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.237 -1.060 6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.610 1.207 5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.351 0.311 4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.983 0.464 3.494 1.00 0.00 H new ATOM 585 N GLN A 101 -5.513 -0.375 6.752 1.00 0.00 N ATOM 586 CA GLN A 101 -6.858 -0.185 7.242 1.00 0.00 C ATOM 587 C GLN A 101 -7.122 1.303 7.330 1.00 0.00 C ATOM 588 O GLN A 101 -6.539 1.999 8.160 1.00 0.00 O ATOM 589 CB GLN A 101 -7.063 -0.843 8.607 1.00 0.00 C ATOM 590 CG GLN A 101 -8.389 -0.492 9.242 1.00 0.00 C ATOM 591 CD GLN A 101 -8.436 -0.802 10.725 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.852 -1.886 11.132 1.00 0.00 O ATOM 593 NE2 GLN A 101 -8.007 0.154 11.541 1.00 0.00 N ATOM 0 H GLN A 101 -4.779 -0.133 7.418 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.559 -0.659 6.554 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.996 -1.925 8.496 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.256 -0.540 9.274 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.588 0.569 9.092 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.184 -1.040 8.736 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.670 1.038 11.159 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.014 0.004 12.550 1.00 0.00 H new ATOM 602 N SER A 102 -7.993 1.787 6.467 1.00 0.00 N ATOM 603 CA SER A 102 -8.322 3.192 6.441 1.00 0.00 C ATOM 604 C SER A 102 -8.666 3.675 7.842 1.00 0.00 C ATOM 605 O SER A 102 -8.829 2.871 8.760 1.00 0.00 O ATOM 606 CB SER A 102 -9.479 3.412 5.480 1.00 0.00 C ATOM 607 OG SER A 102 -9.058 4.110 4.321 1.00 0.00 O ATOM 0 H SER A 102 -8.485 1.223 5.774 1.00 0.00 H new ATOM 0 HA SER A 102 -7.465 3.769 6.095 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.905 2.450 5.194 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.268 3.974 5.980 1.00 0.00 H new ATOM 0 HG SER A 102 -9.822 4.236 3.720 1.00 0.00 H new ATOM 613 N LEU A 103 -8.745 4.980 8.016 1.00 0.00 N ATOM 614 CA LEU A 103 -9.042 5.538 9.328 1.00 0.00 C ATOM 615 C LEU A 103 -10.234 6.481 9.287 1.00 0.00 C ATOM 616 O LEU A 103 -10.916 6.676 10.294 1.00 0.00 O ATOM 617 CB LEU A 103 -7.807 6.227 9.875 1.00 0.00 C ATOM 618 CG LEU A 103 -6.729 5.247 10.337 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.707 5.050 9.237 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.060 5.708 11.621 1.00 0.00 C ATOM 0 H LEU A 103 -8.610 5.670 7.277 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.318 4.723 9.997 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.392 6.879 9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.094 6.863 10.712 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.209 4.292 10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.941 4.350 9.573 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.199 4.651 8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.244 6.007 8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.300 4.984 11.916 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.592 6.679 11.459 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.807 5.792 12.411 1.00 0.00 H new ATOM 632 N THR A 104 -10.502 7.038 8.121 1.00 0.00 N ATOM 633 CA THR A 104 -11.631 7.927 7.949 1.00 0.00 C ATOM 634 C THR A 104 -12.882 7.096 7.713 1.00 0.00 C ATOM 635 O THR A 104 -13.962 7.384 8.230 1.00 0.00 O ATOM 636 CB THR A 104 -11.382 8.847 6.764 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.014 9.206 6.682 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.185 10.111 6.837 1.00 0.00 C ATOM 0 H THR A 104 -9.950 6.888 7.277 1.00 0.00 H new ATOM 0 HA THR A 104 -11.764 8.536 8.843 1.00 0.00 H new ATOM 0 HB THR A 104 -11.687 8.284 5.882 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.681 9.022 5.779 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.968 10.730 5.967 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.247 9.867 6.853 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.924 10.656 7.744 1.00 0.00 H new ATOM 646 N THR A 105 -12.695 6.052 6.924 1.00 0.00 N ATOM 647 CA THR A 105 -13.746 5.114 6.569 1.00 0.00 C ATOM 648 C THR A 105 -13.485 3.777 7.249 1.00 0.00 C ATOM 649 O THR A 105 -14.398 3.059 7.658 1.00 0.00 O ATOM 650 CB THR A 105 -13.730 4.915 5.061 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.913 3.812 4.703 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.219 6.118 4.301 1.00 0.00 C ATOM 0 H THR A 105 -11.792 5.829 6.505 1.00 0.00 H new ATOM 0 HA THR A 105 -14.713 5.502 6.890 1.00 0.00 H new ATOM 0 HB THR A 105 -14.771 4.743 4.789 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.966 3.666 3.735 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.235 5.907 3.232 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.855 6.978 4.510 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.198 6.338 4.612 1.00 0.00 H new ATOM 660 N GLY A 106 -12.204 3.479 7.337 1.00 0.00 N ATOM 661 CA GLY A 106 -11.714 2.265 7.928 1.00 0.00 C ATOM 662 C GLY A 106 -11.737 1.092 6.975 1.00 0.00 C ATOM 663 O GLY A 106 -11.283 0.001 7.319 1.00 0.00 O ATOM 0 H GLY A 106 -11.465 4.091 6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.693 2.423 8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.316 2.026 8.805 1.00 0.00 H new ATOM 667 N GLN A 107 -12.249 1.312 5.767 1.00 0.00 N ATOM 668 CA GLN A 107 -12.305 0.273 4.769 1.00 0.00 C ATOM 669 C GLN A 107 -10.964 -0.428 4.632 1.00 0.00 C ATOM 670 O GLN A 107 -9.933 0.208 4.414 1.00 0.00 O ATOM 671 CB GLN A 107 -12.745 0.875 3.457 1.00 0.00 C ATOM 672 CG GLN A 107 -14.247 0.924 3.340 1.00 0.00 C ATOM 673 CD GLN A 107 -14.820 2.307 3.573 1.00 0.00 C ATOM 674 OE1 GLN A 107 -14.481 3.259 2.871 1.00 0.00 O ATOM 675 NE2 GLN A 107 -15.697 2.424 4.564 1.00 0.00 N ATOM 0 H GLN A 107 -12.630 2.208 5.464 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.028 -0.483 5.076 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.340 1.883 3.365 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.335 0.291 2.633 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.539 0.579 2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.684 0.231 4.059 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.949 1.607 5.121 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.118 3.330 4.768 1.00 0.00 H new ATOM 684 N GLU A 108 -10.990 -1.740 4.787 1.00 0.00 N ATOM 685 CA GLU A 108 -9.773 -2.538 4.707 1.00 0.00 C ATOM 686 C GLU A 108 -9.538 -3.068 3.298 1.00 0.00 C ATOM 687 O GLU A 108 -10.480 -3.291 2.538 1.00 0.00 O ATOM 688 CB GLU A 108 -9.833 -3.697 5.701 1.00 0.00 C ATOM 689 CG GLU A 108 -9.692 -3.262 7.147 1.00 0.00 C ATOM 690 CD GLU A 108 -10.838 -3.739 8.018 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.001 -4.969 8.164 1.00 0.00 O ATOM 692 OE2 GLU A 108 -11.574 -2.882 8.553 1.00 0.00 O ATOM 0 H GLU A 108 -11.838 -2.277 4.969 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.936 -1.888 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.781 -4.222 5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.042 -4.409 5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.753 -3.645 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.637 -2.174 7.191 1.00 0.00 H new ATOM 699 N GLY A 109 -8.269 -3.263 2.964 1.00 0.00 N ATOM 700 CA GLY A 109 -7.907 -3.764 1.652 1.00 0.00 C ATOM 701 C GLY A 109 -6.423 -3.629 1.376 1.00 0.00 C ATOM 702 O GLY A 109 -5.678 -3.089 2.194 1.00 0.00 O ATOM 0 H GLY A 109 -7.479 -3.082 3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.195 -4.812 1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.467 -3.221 0.891 1.00 0.00 H new ATOM 706 N PHE A 110 -5.992 -4.121 0.222 1.00 0.00 N ATOM 707 CA PHE A 110 -4.596 -4.060 -0.169 1.00 0.00 C ATOM 708 C PHE A 110 -4.292 -2.738 -0.864 1.00 0.00 C ATOM 709 O PHE A 110 -5.120 -2.215 -1.608 1.00 0.00 O ATOM 710 CB PHE A 110 -4.275 -5.231 -1.092 1.00 0.00 C ATOM 711 CG PHE A 110 -3.716 -6.425 -0.373 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.294 -6.876 0.803 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.612 -7.096 -0.873 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.782 -7.974 1.467 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.094 -8.195 -0.213 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.680 -8.635 0.958 1.00 0.00 C ATOM 0 H PHE A 110 -6.599 -4.571 -0.464 1.00 0.00 H new ATOM 0 HA PHE A 110 -3.974 -4.125 0.723 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.182 -5.526 -1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.560 -4.903 -1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.155 -6.363 1.205 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.151 -6.757 -1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.242 -8.315 2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.232 -8.709 -0.613 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.278 -9.494 1.475 1.00 0.00 H new ATOM 726 N ILE A 111 -3.109 -2.192 -0.610 1.00 0.00 N ATOM 727 CA ILE A 111 -2.722 -0.922 -1.210 1.00 0.00 C ATOM 728 C ILE A 111 -1.283 -0.939 -1.716 1.00 0.00 C ATOM 729 O ILE A 111 -0.397 -1.542 -1.110 1.00 0.00 O ATOM 730 CB ILE A 111 -2.875 0.235 -0.201 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.931 0.019 0.984 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.317 0.349 0.266 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.452 1.299 1.632 1.00 0.00 C ATOM 0 H ILE A 111 -2.406 -2.605 0.003 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.390 -0.769 -2.058 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.608 1.171 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.439 -0.587 1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.065 -0.551 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.405 1.170 0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.963 0.540 -0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.618 -0.581 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.788 1.060 2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.914 1.899 0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.309 1.862 2.003 1.00 0.00 H new ATOM 745 N PRO A 112 -1.038 -0.247 -2.835 1.00 0.00 N ATOM 746 CA PRO A 112 0.287 -0.141 -3.434 1.00 0.00 C ATOM 747 C PRO A 112 1.317 0.356 -2.419 1.00 0.00 C ATOM 748 O PRO A 112 1.279 1.511 -2.002 1.00 0.00 O ATOM 749 CB PRO A 112 0.105 0.884 -4.569 1.00 0.00 C ATOM 750 CG PRO A 112 -1.248 1.485 -4.365 1.00 0.00 C ATOM 751 CD PRO A 112 -2.044 0.495 -3.584 1.00 0.00 C ATOM 0 HA PRO A 112 0.657 -1.103 -3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.881 1.648 -4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.176 0.403 -5.545 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.174 2.431 -3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.725 1.697 -5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.754 0.988 -2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.620 -0.160 -4.238 1.00 0.00 H new ATOM 759 N PHE A 113 2.223 -0.529 -2.010 1.00 0.00 N ATOM 760 CA PHE A 113 3.244 -0.177 -1.024 1.00 0.00 C ATOM 761 C PHE A 113 4.012 1.085 -1.426 1.00 0.00 C ATOM 762 O PHE A 113 4.574 1.774 -0.576 1.00 0.00 O ATOM 763 CB PHE A 113 4.210 -1.352 -0.810 1.00 0.00 C ATOM 764 CG PHE A 113 5.366 -1.394 -1.775 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.163 -1.227 -3.136 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.658 -1.600 -1.316 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.225 -1.264 -4.020 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.723 -1.639 -2.195 1.00 0.00 C ATOM 769 CZ PHE A 113 7.507 -1.471 -3.549 1.00 0.00 C ATOM 0 H PHE A 113 2.272 -1.492 -2.344 1.00 0.00 H new ATOM 0 HA PHE A 113 2.735 0.037 -0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.603 -1.303 0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.651 -2.284 -0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.163 -1.066 -3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.834 -1.732 -0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.053 -1.131 -5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.724 -1.801 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.338 -1.501 -4.238 1.00 0.00 H new ATOM 779 N ASN A 114 4.032 1.383 -2.722 1.00 0.00 N ATOM 780 CA ASN A 114 4.731 2.559 -3.223 1.00 0.00 C ATOM 781 C ASN A 114 3.759 3.711 -3.464 1.00 0.00 C ATOM 782 O ASN A 114 3.963 4.531 -4.359 1.00 0.00 O ATOM 783 CB ASN A 114 5.463 2.219 -4.520 1.00 0.00 C ATOM 784 CG ASN A 114 4.546 1.592 -5.553 1.00 0.00 C ATOM 785 OD1 ASN A 114 4.582 0.382 -5.778 1.00 0.00 O ATOM 786 ND2 ASN A 114 3.720 2.414 -6.187 1.00 0.00 N ATOM 0 H ASN A 114 3.572 0.826 -3.442 1.00 0.00 H new ATOM 0 HA ASN A 114 5.455 2.871 -2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.905 3.126 -4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.283 1.535 -4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.080 2.050 -6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 114 3.724 3.410 -5.968 1.00 0.00 H new ATOM 793 N PHE A 115 2.695 3.761 -2.669 1.00 0.00 N ATOM 794 CA PHE A 115 1.686 4.805 -2.808 1.00 0.00 C ATOM 795 C PHE A 115 1.547 5.640 -1.538 1.00 0.00 C ATOM 796 O PHE A 115 1.046 6.764 -1.582 1.00 0.00 O ATOM 797 CB PHE A 115 0.329 4.181 -3.131 1.00 0.00 C ATOM 798 CG PHE A 115 -0.293 4.704 -4.390 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.461 4.884 -5.536 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.639 5.015 -4.420 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.120 5.365 -6.693 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.227 5.497 -5.570 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.467 5.673 -6.710 1.00 0.00 C ATOM 0 H PHE A 115 2.509 3.091 -1.922 1.00 0.00 H new ATOM 0 HA PHE A 115 2.011 5.458 -3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.447 3.101 -3.217 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.351 4.362 -2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.514 4.646 -5.526 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.238 4.879 -3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.477 5.500 -7.583 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.280 5.737 -5.580 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.925 6.050 -7.613 1.00 0.00 H new ATOM 813 N VAL A 116 1.947 5.080 -0.403 1.00 0.00 N ATOM 814 CA VAL A 116 1.808 5.782 0.866 1.00 0.00 C ATOM 815 C VAL A 116 3.140 6.073 1.545 1.00 0.00 C ATOM 816 O VAL A 116 4.110 5.330 1.405 1.00 0.00 O ATOM 817 CB VAL A 116 0.926 4.985 1.841 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.516 4.975 1.364 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.451 3.564 2.016 1.00 0.00 C ATOM 0 H VAL A 116 2.366 4.152 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 116 1.341 6.736 0.620 1.00 0.00 H new ATOM 0 HB VAL A 116 0.963 5.475 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.127 4.407 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.887 5.998 1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.570 4.513 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.809 3.022 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.453 3.056 1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.466 3.597 2.411 1.00 0.00 H new ATOM 829 N ALA A 117 3.150 7.164 2.306 1.00 0.00 N ATOM 830 CA ALA A 117 4.320 7.590 3.056 1.00 0.00 C ATOM 831 C ALA A 117 3.895 8.020 4.456 1.00 0.00 C ATOM 832 O ALA A 117 2.829 8.609 4.629 1.00 0.00 O ATOM 833 CB ALA A 117 5.032 8.725 2.333 1.00 0.00 C ATOM 0 H ALA A 117 2.343 7.777 2.418 1.00 0.00 H new ATOM 0 HA ALA A 117 5.018 6.757 3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.906 9.032 2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.348 8.386 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.353 9.571 2.226 1.00 0.00 H new ATOM 839 N LYS A 118 4.718 7.709 5.455 1.00 0.00 N ATOM 840 CA LYS A 118 4.410 8.050 6.845 1.00 0.00 C ATOM 841 C LYS A 118 3.774 9.433 6.968 1.00 0.00 C ATOM 842 O LYS A 118 4.188 10.376 6.297 1.00 0.00 O ATOM 843 CB LYS A 118 5.681 7.993 7.695 1.00 0.00 C ATOM 844 CG LYS A 118 6.297 6.606 7.775 1.00 0.00 C ATOM 845 CD LYS A 118 5.251 5.556 8.110 1.00 0.00 C ATOM 846 CE LYS A 118 5.866 4.172 8.242 1.00 0.00 C ATOM 847 NZ LYS A 118 5.825 3.680 9.648 1.00 0.00 N ATOM 0 H LYS A 118 5.605 7.221 5.329 1.00 0.00 H new ATOM 0 HA LYS A 118 3.689 7.317 7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.416 8.685 7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.450 8.338 8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.770 6.361 6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.080 6.597 8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.753 5.823 9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.487 5.542 7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.332 3.474 7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.899 4.199 7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.253 2.734 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.356 4.333 10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.837 3.630 9.970 1.00 0.00 H new ATOM 861 N ALA A 119 2.765 9.539 7.834 1.00 0.00 N ATOM 862 CA ALA A 119 2.070 10.811 8.055 1.00 0.00 C ATOM 863 C ALA A 119 2.976 11.816 8.763 1.00 0.00 C ATOM 864 O ALA A 119 2.614 12.369 9.803 1.00 0.00 O ATOM 865 CB ALA A 119 0.793 10.602 8.865 1.00 0.00 C ATOM 0 H ALA A 119 2.411 8.763 8.393 1.00 0.00 H new ATOM 0 HA ALA A 119 1.803 11.212 7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.296 11.561 9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.127 9.928 8.326 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.043 10.168 9.833 1.00 0.00 H new ATOM 871 N ASN A 120 4.154 12.050 8.196 1.00 0.00 N ATOM 872 CA ASN A 120 5.107 12.989 8.775 1.00 0.00 C ATOM 873 C ASN A 120 6.119 13.450 7.730 1.00 0.00 C ATOM 874 O ASN A 120 7.156 14.024 8.126 1.00 0.00 O ATOM 875 CB ASN A 120 5.834 12.348 9.958 1.00 0.00 C ATOM 876 CG ASN A 120 6.308 10.940 9.653 1.00 0.00 C ATOM 877 OD1 ASN A 120 5.772 9.964 10.177 1.00 0.00 O ATOM 878 ND2 ASN A 120 7.321 10.828 8.802 1.00 0.00 N ATOM 879 OXT ASN A 120 5.867 13.231 6.527 1.00 0.00 O ATOM 0 H ASN A 120 4.472 11.602 7.336 1.00 0.00 H new ATOM 0 HA ASN A 120 4.553 13.859 9.128 1.00 0.00 H new ATOM 0 HB2 ASN A 120 6.690 12.965 10.232 1.00 0.00 H new ATOM 0 HB3 ASN A 120 5.168 12.325 10.821 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.684 9.906 8.560 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.736 11.664 8.390 1.00 0.00 H new