USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=11 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 -140:sc= -1.66! USER MOD Set 1.2: A 107 GLN : amide:sc= -4.02! C(o=-5.7!,f=-7.2!) USER MOD Single : A 70 HIS : no HE2:sc= -5.51! C(o=-5.5!,f=-6.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 72 TYR OH : rot 67:sc= 0.119 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=-0.12) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0304 X(o=-0.03,f=0) USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-2.2!,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -134:sc= -2.19 (180deg=-6.5!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.121 USER MOD Single : A 104 THR OG1 : rot 126:sc= 0.24 USER MOD Single : A 114 ASN : amide:sc= 0.0839 K(o=0.084,f=-5!) USER MOD Single : A 118 LYS NZ :NH3+ -172:sc=-0.000139 (180deg=-0.0707) USER MOD Single : A 120 ASN : amide:sc= -0.0387 X(o=-0.039,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 65 1.045 3.926 10.778 1.00 0.00 N ATOM 16 CA LEU A 65 0.179 4.665 9.887 1.00 0.00 C ATOM 17 C LEU A 65 0.961 5.424 8.837 1.00 0.00 C ATOM 18 O LEU A 65 2.033 5.972 9.092 1.00 0.00 O ATOM 19 CB LEU A 65 -0.719 5.626 10.655 1.00 0.00 C ATOM 20 CG LEU A 65 -1.454 6.635 9.791 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.322 5.916 8.775 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.285 7.579 10.646 1.00 0.00 C ATOM 0 HA LEU A 65 -0.445 3.928 9.381 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.452 5.047 11.217 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.113 6.165 11.383 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.718 7.235 9.256 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.845 6.648 8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.696 5.290 8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.050 5.293 9.294 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.802 8.292 10.004 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.017 7.006 11.214 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.632 8.117 11.334 1.00 0.00 H new ATOM 34 N VAL A 66 0.390 5.436 7.653 1.00 0.00 N ATOM 35 CA VAL A 66 0.975 6.107 6.509 1.00 0.00 C ATOM 36 C VAL A 66 0.017 7.121 5.902 1.00 0.00 C ATOM 37 O VAL A 66 -1.092 7.325 6.391 1.00 0.00 O ATOM 38 CB VAL A 66 1.348 5.095 5.426 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.659 4.407 5.761 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.233 4.076 5.233 1.00 0.00 C ATOM 0 H VAL A 66 -0.499 4.978 7.454 1.00 0.00 H new ATOM 0 HA VAL A 66 1.865 6.624 6.868 1.00 0.00 H new ATOM 0 HB VAL A 66 1.480 5.633 4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.905 3.691 4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.452 5.151 5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.563 3.884 6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.520 3.365 4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.061 3.543 6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.681 4.589 4.935 1.00 0.00 H new ATOM 50 N ILE A 67 0.451 7.744 4.816 1.00 0.00 N ATOM 51 CA ILE A 67 -0.365 8.722 4.122 1.00 0.00 C ATOM 52 C ILE A 67 -0.128 8.654 2.621 1.00 0.00 C ATOM 53 O ILE A 67 1.004 8.749 2.149 1.00 0.00 O ATOM 54 CB ILE A 67 -0.133 10.159 4.651 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.351 10.570 5.469 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.110 11.147 3.516 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.403 12.033 5.849 1.00 0.00 C ATOM 0 H ILE A 67 1.368 7.587 4.397 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.407 8.471 4.322 1.00 0.00 H new ATOM 0 HB ILE A 67 0.762 10.170 5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.250 10.325 4.903 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.376 9.972 6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.268 12.143 3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.992 10.843 2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.756 11.162 2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.306 12.227 6.429 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.527 12.285 6.447 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.414 12.643 4.946 1.00 0.00 H new ATOM 69 N ALA A 68 -1.213 8.482 1.883 1.00 0.00 N ATOM 70 CA ALA A 68 -1.140 8.387 0.431 1.00 0.00 C ATOM 71 C ALA A 68 -0.479 9.616 -0.176 1.00 0.00 C ATOM 72 O ALA A 68 -0.608 10.726 0.341 1.00 0.00 O ATOM 73 CB ALA A 68 -2.526 8.182 -0.159 1.00 0.00 C ATOM 0 H ALA A 68 -2.156 8.405 2.264 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.522 7.523 0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.453 8.113 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.957 7.261 0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.164 9.024 0.109 1.00 0.00 H new ATOM 79 N LEU A 69 0.231 9.406 -1.276 1.00 0.00 N ATOM 80 CA LEU A 69 0.919 10.490 -1.961 1.00 0.00 C ATOM 81 C LEU A 69 0.094 10.997 -3.142 1.00 0.00 C ATOM 82 O LEU A 69 0.238 12.145 -3.563 1.00 0.00 O ATOM 83 CB LEU A 69 2.294 10.018 -2.435 1.00 0.00 C ATOM 84 CG LEU A 69 3.316 9.779 -1.317 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.685 9.440 -1.893 1.00 0.00 C ATOM 86 CD2 LEU A 69 3.407 10.999 -0.412 1.00 0.00 C ATOM 0 H LEU A 69 0.345 8.492 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 69 1.049 11.315 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.170 9.093 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.698 10.759 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 69 2.978 8.929 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.391 9.275 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.611 8.537 -2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.033 10.265 -2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.136 10.814 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.718 11.864 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.432 11.194 0.034 1.00 0.00 H new ATOM 98 N HIS A 70 -0.777 10.138 -3.667 1.00 0.00 N ATOM 99 CA HIS A 70 -1.630 10.505 -4.793 1.00 0.00 C ATOM 100 C HIS A 70 -2.986 9.814 -4.699 1.00 0.00 C ATOM 101 O HIS A 70 -3.262 9.097 -3.736 1.00 0.00 O ATOM 102 CB HIS A 70 -0.961 10.153 -6.128 1.00 0.00 C ATOM 103 CG HIS A 70 -0.002 9.006 -6.056 1.00 0.00 C ATOM 104 ND1 HIS A 70 -0.211 7.809 -6.706 1.00 0.00 N ATOM 105 CD2 HIS A 70 1.181 8.880 -5.412 1.00 0.00 C ATOM 106 CE1 HIS A 70 0.800 6.995 -6.463 1.00 0.00 C ATOM 107 NE2 HIS A 70 1.659 7.621 -5.679 1.00 0.00 N ATOM 0 H HIS A 70 -0.910 9.184 -3.331 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.782 11.584 -4.750 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.736 9.918 -6.858 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.431 11.031 -6.498 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -1.021 7.586 -7.285 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.660 9.631 -4.801 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.906 5.989 -6.841 1.00 0.00 H new ATOM 116 N SER A 71 -3.827 10.030 -5.706 1.00 0.00 N ATOM 117 CA SER A 71 -5.151 9.423 -5.738 1.00 0.00 C ATOM 118 C SER A 71 -5.058 7.977 -6.204 1.00 0.00 C ATOM 119 O SER A 71 -4.496 7.691 -7.262 1.00 0.00 O ATOM 120 CB SER A 71 -6.079 10.211 -6.665 1.00 0.00 C ATOM 121 OG SER A 71 -5.655 11.558 -6.787 1.00 0.00 O ATOM 0 H SER A 71 -3.614 10.621 -6.510 1.00 0.00 H new ATOM 0 HA SER A 71 -5.563 9.444 -4.729 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.099 9.742 -7.649 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.097 10.181 -6.277 1.00 0.00 H new ATOM 0 HG SER A 71 -6.263 12.039 -7.386 1.00 0.00 H new ATOM 127 N TYR A 72 -5.596 7.062 -5.405 1.00 0.00 N ATOM 128 CA TYR A 72 -5.548 5.641 -5.746 1.00 0.00 C ATOM 129 C TYR A 72 -6.886 5.118 -6.258 1.00 0.00 C ATOM 130 O TYR A 72 -7.951 5.536 -5.803 1.00 0.00 O ATOM 131 CB TYR A 72 -5.122 4.804 -4.541 1.00 0.00 C ATOM 132 CG TYR A 72 -4.922 3.341 -4.872 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.191 2.954 -5.989 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.473 2.347 -4.075 1.00 0.00 C ATOM 135 CE1 TYR A 72 -4.016 1.619 -6.299 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.299 1.011 -4.377 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.571 0.652 -5.490 1.00 0.00 C ATOM 138 OH TYR A 72 -4.402 -0.677 -5.797 1.00 0.00 O ATOM 0 H TYR A 72 -6.066 7.273 -4.525 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.813 5.547 -6.545 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.194 5.208 -4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.877 4.893 -3.760 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.753 3.709 -6.625 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.048 2.623 -3.203 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.447 1.335 -7.172 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.732 0.251 -3.743 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.457 -0.918 -5.698 1.00 0.00 H new ATOM 148 N GLU A 73 -6.808 4.177 -7.195 1.00 0.00 N ATOM 149 CA GLU A 73 -7.982 3.553 -7.773 1.00 0.00 C ATOM 150 C GLU A 73 -7.780 2.039 -7.861 1.00 0.00 C ATOM 151 O GLU A 73 -7.207 1.531 -8.824 1.00 0.00 O ATOM 152 CB GLU A 73 -8.252 4.127 -9.147 1.00 0.00 C ATOM 153 CG GLU A 73 -9.571 4.867 -9.243 1.00 0.00 C ATOM 154 CD GLU A 73 -9.683 5.703 -10.501 1.00 0.00 C ATOM 155 OE1 GLU A 73 -8.633 6.023 -11.097 1.00 0.00 O ATOM 156 OE2 GLU A 73 -10.822 6.040 -10.890 1.00 0.00 O ATOM 0 H GLU A 73 -5.926 3.829 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.842 3.756 -7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.443 4.807 -9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.244 3.319 -9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.389 4.147 -9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.685 5.512 -8.372 1.00 0.00 H new ATOM 163 N PRO A 74 -8.248 1.309 -6.840 1.00 0.00 N ATOM 164 CA PRO A 74 -8.137 -0.142 -6.746 1.00 0.00 C ATOM 165 C PRO A 74 -8.296 -0.849 -8.088 1.00 0.00 C ATOM 166 O PRO A 74 -9.299 -0.679 -8.780 1.00 0.00 O ATOM 167 CB PRO A 74 -9.281 -0.526 -5.790 1.00 0.00 C ATOM 168 CG PRO A 74 -9.903 0.763 -5.341 1.00 0.00 C ATOM 169 CD PRO A 74 -8.926 1.851 -5.676 1.00 0.00 C ATOM 0 HA PRO A 74 -7.149 -0.444 -6.400 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.014 -1.157 -6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.903 -1.093 -4.939 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.855 0.929 -5.844 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.107 0.742 -4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.427 2.793 -5.899 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.235 2.044 -4.856 1.00 0.00 H new ATOM 177 N SER A 75 -7.295 -1.650 -8.439 1.00 0.00 N ATOM 178 CA SER A 75 -7.308 -2.397 -9.689 1.00 0.00 C ATOM 179 C SER A 75 -7.233 -3.897 -9.418 1.00 0.00 C ATOM 180 O SER A 75 -7.913 -4.692 -10.068 1.00 0.00 O ATOM 181 CB SER A 75 -6.140 -1.967 -10.579 1.00 0.00 C ATOM 182 OG SER A 75 -5.079 -1.435 -9.804 1.00 0.00 O ATOM 0 H SER A 75 -6.461 -1.798 -7.871 1.00 0.00 H new ATOM 0 HA SER A 75 -8.243 -2.182 -10.206 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.782 -2.821 -11.154 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.481 -1.221 -11.297 1.00 0.00 H new ATOM 0 HG SER A 75 -4.344 -1.169 -10.395 1.00 0.00 H new ATOM 188 N HIS A 76 -6.405 -4.276 -8.448 1.00 0.00 N ATOM 189 CA HIS A 76 -6.244 -5.679 -8.083 1.00 0.00 C ATOM 190 C HIS A 76 -7.338 -6.112 -7.112 1.00 0.00 C ATOM 191 O HIS A 76 -7.934 -5.284 -6.424 1.00 0.00 O ATOM 192 CB HIS A 76 -4.864 -5.913 -7.460 1.00 0.00 C ATOM 193 CG HIS A 76 -3.823 -6.322 -8.453 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.840 -5.918 -9.772 1.00 0.00 N ATOM 195 CD2 HIS A 76 -2.724 -7.102 -8.316 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.800 -6.433 -10.403 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.107 -7.154 -9.541 1.00 0.00 N ATOM 0 H HIS A 76 -5.835 -3.630 -7.901 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.328 -6.279 -8.989 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.540 -5.000 -6.961 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.946 -6.683 -6.693 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.395 -7.592 -7.411 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -2.558 -6.289 -11.446 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.251 -7.667 -9.751 1.00 0.00 H new ATOM 206 N ASP A 77 -7.600 -7.414 -7.064 1.00 0.00 N ATOM 207 CA ASP A 77 -8.625 -7.954 -6.178 1.00 0.00 C ATOM 208 C ASP A 77 -8.238 -7.763 -4.715 1.00 0.00 C ATOM 209 O ASP A 77 -7.058 -7.798 -4.365 1.00 0.00 O ATOM 210 CB ASP A 77 -8.850 -9.439 -6.469 1.00 0.00 C ATOM 211 CG ASP A 77 -10.210 -9.920 -6.003 1.00 0.00 C ATOM 212 OD1 ASP A 77 -10.675 -9.451 -4.943 1.00 0.00 O ATOM 213 OD2 ASP A 77 -10.809 -10.768 -6.697 1.00 0.00 O ATOM 0 H ASP A 77 -7.117 -8.114 -7.627 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.551 -7.410 -6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.753 -9.615 -7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.073 -10.024 -5.978 1.00 0.00 H new ATOM 218 N GLY A 78 -9.239 -7.564 -3.862 1.00 0.00 N ATOM 219 CA GLY A 78 -8.980 -7.372 -2.447 1.00 0.00 C ATOM 220 C GLY A 78 -8.126 -6.152 -2.172 1.00 0.00 C ATOM 221 O GLY A 78 -7.322 -6.150 -1.241 1.00 0.00 O ATOM 0 H GLY A 78 -10.224 -7.532 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.928 -7.274 -1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.483 -8.256 -2.049 1.00 0.00 H new ATOM 225 N ASP A 79 -8.297 -5.112 -2.983 1.00 0.00 N ATOM 226 CA ASP A 79 -7.530 -3.886 -2.815 1.00 0.00 C ATOM 227 C ASP A 79 -8.358 -2.809 -2.127 1.00 0.00 C ATOM 228 O ASP A 79 -9.589 -2.835 -2.164 1.00 0.00 O ATOM 229 CB ASP A 79 -7.039 -3.373 -4.169 1.00 0.00 C ATOM 230 CG ASP A 79 -5.977 -4.269 -4.772 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.141 -5.506 -4.719 1.00 0.00 O ATOM 232 OD2 ASP A 79 -4.981 -3.732 -5.298 1.00 0.00 O ATOM 0 H ASP A 79 -8.958 -5.095 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.671 -4.116 -2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.883 -3.301 -4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.638 -2.367 -4.050 1.00 0.00 H new ATOM 237 N LEU A 80 -7.671 -1.862 -1.505 1.00 0.00 N ATOM 238 CA LEU A 80 -8.326 -0.764 -0.811 1.00 0.00 C ATOM 239 C LEU A 80 -8.014 0.556 -1.507 1.00 0.00 C ATOM 240 O LEU A 80 -6.849 0.907 -1.698 1.00 0.00 O ATOM 241 CB LEU A 80 -7.875 -0.729 0.658 1.00 0.00 C ATOM 242 CG LEU A 80 -7.903 0.642 1.339 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.301 0.968 1.842 1.00 0.00 C ATOM 244 CD2 LEU A 80 -6.901 0.684 2.482 1.00 0.00 C ATOM 0 H LEU A 80 -6.652 -1.833 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.405 -0.916 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.509 -1.408 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.859 -1.119 0.714 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.624 1.396 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.296 1.947 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.996 0.979 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.614 0.212 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.932 1.665 2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.153 -0.082 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.899 0.500 2.094 1.00 0.00 H new ATOM 256 N GLY A 81 -9.057 1.286 -1.879 1.00 0.00 N ATOM 257 CA GLY A 81 -8.863 2.559 -2.544 1.00 0.00 C ATOM 258 C GLY A 81 -8.823 3.711 -1.569 1.00 0.00 C ATOM 259 O GLY A 81 -9.550 3.720 -0.575 1.00 0.00 O ATOM 0 H GLY A 81 -10.031 1.020 -1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.933 2.533 -3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.669 2.719 -3.260 1.00 0.00 H new ATOM 263 N PHE A 82 -7.967 4.683 -1.846 1.00 0.00 N ATOM 264 CA PHE A 82 -7.830 5.844 -0.983 1.00 0.00 C ATOM 265 C PHE A 82 -7.588 7.101 -1.799 1.00 0.00 C ATOM 266 O PHE A 82 -7.503 7.052 -3.026 1.00 0.00 O ATOM 267 CB PHE A 82 -6.682 5.643 0.005 1.00 0.00 C ATOM 268 CG PHE A 82 -5.489 4.943 -0.585 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.527 3.587 -0.865 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.328 5.645 -0.862 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.430 2.946 -1.408 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.226 5.009 -1.407 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.278 3.658 -1.678 1.00 0.00 C ATOM 0 H PHE A 82 -7.356 4.690 -2.663 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.762 5.961 -0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.369 6.615 0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.045 5.068 0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.425 3.024 -0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.282 6.703 -0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.474 1.888 -1.621 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.328 5.570 -1.619 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.419 3.158 -2.101 1.00 0.00 H new ATOM 283 N GLU A 83 -7.482 8.227 -1.110 1.00 0.00 N ATOM 284 CA GLU A 83 -7.254 9.498 -1.771 1.00 0.00 C ATOM 285 C GLU A 83 -5.833 9.993 -1.520 1.00 0.00 C ATOM 286 O GLU A 83 -5.083 9.397 -0.749 1.00 0.00 O ATOM 287 CB GLU A 83 -8.264 10.525 -1.266 1.00 0.00 C ATOM 288 CG GLU A 83 -9.353 10.849 -2.272 1.00 0.00 C ATOM 289 CD GLU A 83 -9.597 12.339 -2.413 1.00 0.00 C ATOM 290 OE1 GLU A 83 -8.654 13.060 -2.800 1.00 0.00 O ATOM 291 OE2 GLU A 83 -10.730 12.784 -2.134 1.00 0.00 O ATOM 0 H GLU A 83 -7.551 8.284 -0.094 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.381 9.361 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.725 10.151 -0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.737 11.443 -1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.079 10.437 -3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.279 10.361 -1.968 1.00 0.00 H new ATOM 298 N LYS A 84 -5.476 11.097 -2.163 1.00 0.00 N ATOM 299 CA LYS A 84 -4.155 11.679 -1.987 1.00 0.00 C ATOM 300 C LYS A 84 -4.088 12.361 -0.623 1.00 0.00 C ATOM 301 O LYS A 84 -4.983 13.121 -0.256 1.00 0.00 O ATOM 302 CB LYS A 84 -3.858 12.661 -3.123 1.00 0.00 C ATOM 303 CG LYS A 84 -2.764 13.672 -2.806 1.00 0.00 C ATOM 304 CD LYS A 84 -2.900 14.922 -3.656 1.00 0.00 C ATOM 305 CE LYS A 84 -2.138 14.796 -4.966 1.00 0.00 C ATOM 306 NZ LYS A 84 -1.217 15.945 -5.187 1.00 0.00 N ATOM 0 H LYS A 84 -6.081 11.605 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.395 10.899 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.569 12.097 -4.010 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.773 13.199 -3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.810 13.941 -1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.787 13.219 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.954 15.108 -3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.528 15.783 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.566 13.868 -4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.846 14.734 -5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.717 15.820 -6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.765 16.829 -5.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.525 15.989 -4.412 1.00 0.00 H new ATOM 320 N GLY A 85 -3.045 12.052 0.138 1.00 0.00 N ATOM 321 CA GLY A 85 -2.914 12.610 1.473 1.00 0.00 C ATOM 322 C GLY A 85 -3.733 11.828 2.482 1.00 0.00 C ATOM 323 O GLY A 85 -3.610 12.037 3.688 1.00 0.00 O ATOM 0 H GLY A 85 -2.289 11.427 -0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.865 12.604 1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.238 13.651 1.467 1.00 0.00 H new ATOM 327 N GLU A 86 -4.558 10.907 1.983 1.00 0.00 N ATOM 328 CA GLU A 86 -5.383 10.071 2.836 1.00 0.00 C ATOM 329 C GLU A 86 -4.505 9.284 3.787 1.00 0.00 C ATOM 330 O GLU A 86 -3.297 9.188 3.589 1.00 0.00 O ATOM 331 CB GLU A 86 -6.203 9.100 1.979 1.00 0.00 C ATOM 332 CG GLU A 86 -7.625 8.830 2.458 1.00 0.00 C ATOM 333 CD GLU A 86 -8.049 9.659 3.658 1.00 0.00 C ATOM 334 OE1 GLU A 86 -7.790 9.227 4.801 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.641 10.739 3.453 1.00 0.00 O ATOM 0 H GLU A 86 -4.668 10.725 0.985 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.059 10.707 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.250 9.493 0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.670 8.150 1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.315 9.022 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.716 7.774 2.711 1.00 0.00 H new ATOM 342 N GLN A 87 -5.114 8.715 4.809 1.00 0.00 N ATOM 343 CA GLN A 87 -4.369 7.931 5.778 1.00 0.00 C ATOM 344 C GLN A 87 -4.939 6.533 5.904 1.00 0.00 C ATOM 345 O GLN A 87 -6.144 6.314 5.786 1.00 0.00 O ATOM 346 CB GLN A 87 -4.356 8.616 7.141 1.00 0.00 C ATOM 347 CG GLN A 87 -4.086 10.107 7.061 1.00 0.00 C ATOM 348 CD GLN A 87 -4.909 10.905 8.052 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.545 11.896 7.693 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.899 10.477 9.309 1.00 0.00 N ATOM 0 H GLN A 87 -6.116 8.779 4.990 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.343 7.854 5.418 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.316 8.453 7.631 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.596 8.149 7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.027 10.291 7.243 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.301 10.457 6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.357 9.650 9.562 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.433 10.975 10.021 1.00 0.00 H new ATOM 359 N LEU A 88 -4.045 5.594 6.145 1.00 0.00 N ATOM 360 CA LEU A 88 -4.409 4.193 6.295 1.00 0.00 C ATOM 361 C LEU A 88 -3.510 3.526 7.310 1.00 0.00 C ATOM 362 O LEU A 88 -2.285 3.587 7.208 1.00 0.00 O ATOM 363 CB LEU A 88 -4.296 3.437 4.971 1.00 0.00 C ATOM 364 CG LEU A 88 -4.493 4.269 3.706 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.394 3.965 2.702 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.862 3.995 3.109 1.00 0.00 C ATOM 0 H LEU A 88 -3.046 5.777 6.243 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.446 4.163 6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.312 2.970 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.031 2.632 4.971 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.437 5.327 3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.545 4.564 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.425 4.205 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.422 2.907 2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.992 4.593 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.944 2.938 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.634 4.257 3.833 1.00 0.00 H new ATOM 378 N ARG A 89 -4.121 2.868 8.271 1.00 0.00 N ATOM 379 CA ARG A 89 -3.379 2.171 9.284 1.00 0.00 C ATOM 380 C ARG A 89 -2.912 0.835 8.724 1.00 0.00 C ATOM 381 O ARG A 89 -3.697 -0.097 8.560 1.00 0.00 O ATOM 382 CB ARG A 89 -4.246 1.981 10.518 1.00 0.00 C ATOM 383 CG ARG A 89 -3.669 0.992 11.492 1.00 0.00 C ATOM 384 CD ARG A 89 -4.477 0.945 12.771 1.00 0.00 C ATOM 385 NE ARG A 89 -3.701 0.417 13.888 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.239 -0.135 14.974 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.557 -0.231 15.097 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.455 -0.591 15.942 1.00 0.00 N ATOM 0 H ARG A 89 -5.134 2.804 8.367 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.504 2.751 9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.375 2.942 11.017 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.237 1.646 10.212 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.646 0.002 11.037 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.638 1.262 11.720 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.828 1.948 13.015 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.361 0.326 12.619 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.684 0.474 13.834 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.165 0.119 14.357 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.962 -0.655 15.932 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.441 -0.519 15.854 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.866 -1.014 16.774 1.00 0.00 H new ATOM 402 N ILE A 90 -1.634 0.774 8.399 1.00 0.00 N ATOM 403 CA ILE A 90 -1.046 -0.420 7.811 1.00 0.00 C ATOM 404 C ILE A 90 -1.185 -1.635 8.711 1.00 0.00 C ATOM 405 O ILE A 90 -0.562 -1.727 9.769 1.00 0.00 O ATOM 406 CB ILE A 90 0.442 -0.203 7.460 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.613 1.085 6.655 1.00 0.00 C ATOM 408 CG2 ILE A 90 0.986 -1.383 6.676 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.039 1.041 5.289 1.00 0.00 C ATOM 0 H ILE A 90 -0.977 1.543 8.533 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.604 -0.612 6.894 1.00 0.00 H new ATOM 0 HB ILE A 90 1.004 -0.117 8.390 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.192 1.916 7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.677 1.288 6.533 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.036 -1.210 6.439 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.894 -2.290 7.273 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.420 -1.498 5.752 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.124 1.989 4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.398 0.232 4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.109 0.869 5.402 1.00 0.00 H new ATOM 421 N LEU A 91 -1.992 -2.579 8.250 1.00 0.00 N ATOM 422 CA LEU A 91 -2.220 -3.824 8.961 1.00 0.00 C ATOM 423 C LEU A 91 -1.047 -4.748 8.696 1.00 0.00 C ATOM 424 O LEU A 91 -0.468 -5.335 9.610 1.00 0.00 O ATOM 425 CB LEU A 91 -3.518 -4.455 8.465 1.00 0.00 C ATOM 426 CG LEU A 91 -4.686 -3.474 8.338 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.925 -4.154 7.782 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.985 -2.820 9.681 1.00 0.00 C ATOM 0 H LEU A 91 -2.506 -2.502 7.373 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.307 -3.645 10.033 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.337 -4.914 7.493 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.803 -5.255 9.148 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.393 -2.697 7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.735 -3.428 7.705 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.705 -4.559 6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.225 -4.964 8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.818 -2.126 9.570 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.246 -3.588 10.409 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.105 -2.278 10.026 1.00 0.00 H new ATOM 440 N GLU A 92 -0.690 -4.832 7.424 1.00 0.00 N ATOM 441 CA GLU A 92 0.433 -5.634 6.980 1.00 0.00 C ATOM 442 C GLU A 92 1.135 -4.926 5.832 1.00 0.00 C ATOM 443 O GLU A 92 0.532 -4.106 5.143 1.00 0.00 O ATOM 444 CB GLU A 92 -0.020 -7.029 6.561 1.00 0.00 C ATOM 445 CG GLU A 92 0.543 -8.117 7.455 1.00 0.00 C ATOM 446 CD GLU A 92 -0.533 -8.869 8.214 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.129 -9.799 7.630 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.778 -8.529 9.390 1.00 0.00 O ATOM 0 H GLU A 92 -1.174 -4.344 6.671 1.00 0.00 H new ATOM 0 HA GLU A 92 1.131 -5.753 7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.109 -7.075 6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.288 -7.213 5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.113 -8.821 6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.240 -7.673 8.166 1.00 0.00 H new ATOM 455 N GLN A 93 2.414 -5.216 5.642 1.00 0.00 N ATOM 456 CA GLN A 93 3.176 -4.566 4.589 1.00 0.00 C ATOM 457 C GLN A 93 4.110 -5.538 3.884 1.00 0.00 C ATOM 458 O GLN A 93 5.224 -5.178 3.503 1.00 0.00 O ATOM 459 CB GLN A 93 3.964 -3.400 5.173 1.00 0.00 C ATOM 460 CG GLN A 93 4.302 -3.595 6.623 1.00 0.00 C ATOM 461 CD GLN A 93 5.053 -2.424 7.225 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.541 -1.218 7.010 1.00 0.00 O flip ATOM 463 NE2 GLN A 93 6.081 -2.600 7.877 1.00 0.00 N flip ATOM 0 H GLN A 93 2.940 -5.890 6.198 1.00 0.00 H new ATOM 0 HA GLN A 93 2.474 -4.194 3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.885 -3.268 4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.385 -2.483 5.059 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.382 -3.756 7.185 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.903 -4.498 6.731 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.440 -3.544 8.018 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.574 -1.802 8.277 1.00 0.00 H new ATOM 472 N SER A 94 3.645 -6.764 3.698 1.00 0.00 N ATOM 473 CA SER A 94 4.437 -7.777 3.023 1.00 0.00 C ATOM 474 C SER A 94 4.283 -7.651 1.514 1.00 0.00 C ATOM 475 O SER A 94 3.169 -7.559 0.999 1.00 0.00 O ATOM 476 CB SER A 94 4.024 -9.173 3.490 1.00 0.00 C ATOM 477 OG SER A 94 3.742 -10.031 2.396 1.00 0.00 O ATOM 0 H SER A 94 2.725 -7.080 4.005 1.00 0.00 H new ATOM 0 HA SER A 94 5.486 -7.625 3.276 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.821 -9.605 4.095 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.144 -9.097 4.129 1.00 0.00 H new ATOM 0 HG SER A 94 3.483 -10.915 2.732 1.00 0.00 H new ATOM 483 N GLY A 95 5.407 -7.645 0.813 1.00 0.00 N ATOM 484 CA GLY A 95 5.371 -7.528 -0.632 1.00 0.00 C ATOM 485 C GLY A 95 5.030 -6.138 -1.104 1.00 0.00 C ATOM 486 O GLY A 95 4.580 -5.293 -0.330 1.00 0.00 O ATOM 0 H GLY A 95 6.341 -7.719 1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.341 -7.816 -1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.638 -8.230 -1.029 1.00 0.00 H new ATOM 490 N GLU A 96 5.244 -5.915 -2.392 1.00 0.00 N ATOM 491 CA GLU A 96 4.964 -4.635 -3.021 1.00 0.00 C ATOM 492 C GLU A 96 3.577 -4.107 -2.634 1.00 0.00 C ATOM 493 O GLU A 96 3.311 -2.912 -2.742 1.00 0.00 O ATOM 494 CB GLU A 96 5.084 -4.791 -4.532 1.00 0.00 C ATOM 495 CG GLU A 96 4.056 -3.998 -5.281 1.00 0.00 C ATOM 496 CD GLU A 96 4.265 -4.016 -6.782 1.00 0.00 C ATOM 497 OE1 GLU A 96 4.997 -3.142 -7.291 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.695 -4.905 -7.450 1.00 0.00 O ATOM 0 H GLU A 96 5.617 -6.618 -3.030 1.00 0.00 H new ATOM 0 HA GLU A 96 5.690 -3.902 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.079 -4.477 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.985 -5.845 -4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.066 -4.393 -5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.076 -2.966 -4.930 1.00 0.00 H new ATOM 505 N TRP A 97 2.694 -4.997 -2.196 1.00 0.00 N ATOM 506 CA TRP A 97 1.348 -4.600 -1.805 1.00 0.00 C ATOM 507 C TRP A 97 1.170 -4.700 -0.292 1.00 0.00 C ATOM 508 O TRP A 97 1.358 -5.765 0.296 1.00 0.00 O ATOM 509 CB TRP A 97 0.322 -5.471 -2.521 1.00 0.00 C ATOM 510 CG TRP A 97 0.161 -5.108 -3.966 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.904 -5.569 -5.015 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.790 -4.194 -4.518 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.473 -4.994 -6.186 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.567 -4.146 -5.906 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.810 -3.413 -3.973 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.326 -3.343 -6.754 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.562 -2.618 -4.812 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.317 -2.587 -6.191 1.00 0.00 C ATOM 0 H TRP A 97 2.885 -5.995 -2.103 1.00 0.00 H new ATOM 0 HA TRP A 97 1.194 -3.560 -2.094 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.622 -6.516 -2.445 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.641 -5.379 -2.018 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.712 -6.281 -4.936 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.863 -5.169 -7.112 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.007 -3.431 -2.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.139 -3.318 -7.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.353 -2.009 -4.399 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.923 -1.954 -6.822 1.00 0.00 H new ATOM 529 N TRP A 98 0.822 -3.578 0.336 1.00 0.00 N ATOM 530 CA TRP A 98 0.635 -3.537 1.780 1.00 0.00 C ATOM 531 C TRP A 98 -0.836 -3.501 2.167 1.00 0.00 C ATOM 532 O TRP A 98 -1.647 -2.841 1.518 1.00 0.00 O ATOM 533 CB TRP A 98 1.328 -2.311 2.367 1.00 0.00 C ATOM 534 CG TRP A 98 2.821 -2.382 2.295 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.573 -3.380 1.750 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.740 -1.414 2.796 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.909 -3.091 1.885 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.036 -1.882 2.523 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.584 -0.195 3.448 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.176 -1.166 2.883 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.711 0.520 3.807 1.00 0.00 C ATOM 542 CH2 TRP A 98 5.995 0.033 3.521 1.00 0.00 C ATOM 0 H TRP A 98 0.665 -2.687 -0.135 1.00 0.00 H new ATOM 0 HA TRP A 98 1.074 -4.450 2.182 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.988 -1.422 1.837 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.027 -2.196 3.408 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.176 -4.268 1.281 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.679 -3.678 1.564 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.598 0.186 3.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.165 -1.542 2.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.602 1.467 4.315 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.858 0.615 3.809 1.00 0.00 H new ATOM 553 N LYS A 99 -1.161 -4.193 3.251 1.00 0.00 N ATOM 554 CA LYS A 99 -2.519 -4.219 3.762 1.00 0.00 C ATOM 555 C LYS A 99 -2.721 -3.051 4.714 1.00 0.00 C ATOM 556 O LYS A 99 -2.097 -2.995 5.771 1.00 0.00 O ATOM 557 CB LYS A 99 -2.795 -5.536 4.493 1.00 0.00 C ATOM 558 CG LYS A 99 -4.169 -5.605 5.138 1.00 0.00 C ATOM 559 CD LYS A 99 -5.212 -4.924 4.283 1.00 0.00 C ATOM 560 CE LYS A 99 -6.618 -5.356 4.663 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.313 -6.050 3.543 1.00 0.00 N ATOM 0 H LYS A 99 -0.497 -4.745 3.793 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.213 -4.137 2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.694 -6.360 3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.036 -5.680 5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.448 -6.647 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.136 -5.133 6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.122 -3.843 4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.031 -5.156 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.572 -6.019 5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.197 -4.482 4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.278 -5.673 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.789 -5.892 2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.358 -7.070 3.741 1.00 0.00 H new ATOM 575 N ALA A 100 -3.577 -2.112 4.337 1.00 0.00 N ATOM 576 CA ALA A 100 -3.827 -0.948 5.175 1.00 0.00 C ATOM 577 C ALA A 100 -5.283 -0.839 5.565 1.00 0.00 C ATOM 578 O ALA A 100 -6.177 -1.149 4.779 1.00 0.00 O ATOM 579 CB ALA A 100 -3.395 0.328 4.467 1.00 0.00 C ATOM 0 H ALA A 100 -4.106 -2.132 3.465 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.238 -1.077 6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.591 1.185 5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.329 0.277 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.955 0.436 3.538 1.00 0.00 H new ATOM 585 N GLN A 101 -5.518 -0.355 6.774 1.00 0.00 N ATOM 586 CA GLN A 101 -6.865 -0.156 7.251 1.00 0.00 C ATOM 587 C GLN A 101 -7.122 1.332 7.330 1.00 0.00 C ATOM 588 O GLN A 101 -6.543 2.030 8.163 1.00 0.00 O ATOM 589 CB GLN A 101 -7.081 -0.809 8.615 1.00 0.00 C ATOM 590 CG GLN A 101 -8.418 -0.471 9.231 1.00 0.00 C ATOM 591 CD GLN A 101 -8.481 -0.787 10.711 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.972 -1.841 11.114 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.981 0.131 11.531 1.00 0.00 N ATOM 0 H GLN A 101 -4.789 -0.095 7.438 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.565 -0.627 6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.000 -1.891 8.510 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.286 -0.494 9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.624 0.589 9.082 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.201 -1.024 8.713 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.584 0.991 11.152 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.995 -0.024 12.539 1.00 0.00 H new ATOM 602 N SER A 102 -7.984 1.816 6.459 1.00 0.00 N ATOM 603 CA SER A 102 -8.311 3.221 6.421 1.00 0.00 C ATOM 604 C SER A 102 -8.659 3.714 7.818 1.00 0.00 C ATOM 605 O SER A 102 -8.828 2.916 8.740 1.00 0.00 O ATOM 606 CB SER A 102 -9.463 3.438 5.454 1.00 0.00 C ATOM 607 OG SER A 102 -9.041 4.143 4.300 1.00 0.00 O ATOM 0 H SER A 102 -8.472 1.250 5.765 1.00 0.00 H new ATOM 0 HA SER A 102 -7.452 3.794 6.073 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.881 2.475 5.162 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.258 3.993 5.951 1.00 0.00 H new ATOM 0 HG SER A 102 -9.802 4.266 3.695 1.00 0.00 H new ATOM 613 N LEU A 103 -8.735 5.019 7.984 1.00 0.00 N ATOM 614 CA LEU A 103 -9.037 5.582 9.292 1.00 0.00 C ATOM 615 C LEU A 103 -10.231 6.521 9.248 1.00 0.00 C ATOM 616 O LEU A 103 -10.910 6.724 10.255 1.00 0.00 O ATOM 617 CB LEU A 103 -7.807 6.272 9.847 1.00 0.00 C ATOM 618 CG LEU A 103 -6.739 5.293 10.333 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.684 5.104 9.264 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.109 5.747 11.640 1.00 0.00 C ATOM 0 H LEU A 103 -8.594 5.705 7.242 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.314 4.766 9.959 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.379 6.914 9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.102 6.918 10.674 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.224 4.336 10.526 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.927 4.405 9.619 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.148 4.708 8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.216 6.063 9.041 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.355 5.024 11.951 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.641 6.721 11.499 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.879 5.822 12.408 1.00 0.00 H new ATOM 632 N THR A 104 -10.505 7.067 8.076 1.00 0.00 N ATOM 633 CA THR A 104 -11.640 7.948 7.903 1.00 0.00 C ATOM 634 C THR A 104 -12.888 7.110 7.683 1.00 0.00 C ATOM 635 O THR A 104 -13.963 7.391 8.213 1.00 0.00 O ATOM 636 CB THR A 104 -11.405 8.861 6.708 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.041 9.233 6.618 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.220 10.116 6.775 1.00 0.00 C ATOM 0 H THR A 104 -9.955 6.914 7.231 1.00 0.00 H new ATOM 0 HA THR A 104 -11.769 8.564 8.793 1.00 0.00 H new ATOM 0 HB THR A 104 -11.707 8.288 5.831 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.702 9.018 5.724 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.014 10.731 5.899 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.279 9.861 6.799 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.960 10.671 7.677 1.00 0.00 H new ATOM 646 N THR A 105 -12.702 6.064 6.895 1.00 0.00 N ATOM 647 CA THR A 105 -13.748 5.117 6.556 1.00 0.00 C ATOM 648 C THR A 105 -13.476 3.792 7.252 1.00 0.00 C ATOM 649 O THR A 105 -14.381 3.080 7.686 1.00 0.00 O ATOM 650 CB THR A 105 -13.741 4.902 5.051 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.918 3.803 4.699 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.246 6.102 4.274 1.00 0.00 C ATOM 0 H THR A 105 -11.803 5.846 6.466 1.00 0.00 H new ATOM 0 HA THR A 105 -14.716 5.502 6.876 1.00 0.00 H new ATOM 0 HB THR A 105 -14.783 4.718 4.788 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.418 4.017 3.884 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.268 5.879 3.207 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.889 6.958 4.479 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.225 6.335 4.575 1.00 0.00 H new ATOM 660 N GLY A 106 -12.194 3.497 7.328 1.00 0.00 N ATOM 661 CA GLY A 106 -11.695 2.295 7.936 1.00 0.00 C ATOM 662 C GLY A 106 -11.742 1.097 7.016 1.00 0.00 C ATOM 663 O GLY A 106 -11.327 0.003 7.396 1.00 0.00 O ATOM 0 H GLY A 106 -11.461 4.103 6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.666 2.458 8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.278 2.080 8.832 1.00 0.00 H new ATOM 667 N GLN A 107 -12.230 1.298 5.797 1.00 0.00 N ATOM 668 CA GLN A 107 -12.304 0.231 4.829 1.00 0.00 C ATOM 669 C GLN A 107 -10.968 -0.477 4.696 1.00 0.00 C ATOM 670 O GLN A 107 -9.941 0.144 4.420 1.00 0.00 O ATOM 671 CB GLN A 107 -12.760 0.795 3.506 1.00 0.00 C ATOM 672 CG GLN A 107 -14.264 0.866 3.422 1.00 0.00 C ATOM 673 CD GLN A 107 -14.806 2.265 3.636 1.00 0.00 C ATOM 674 OE1 GLN A 107 -15.431 2.552 4.656 1.00 0.00 O ATOM 675 NE2 GLN A 107 -14.569 3.145 2.670 1.00 0.00 N ATOM 0 H GLN A 107 -12.579 2.196 5.463 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.027 -0.512 5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.340 1.792 3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.378 0.175 2.695 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.585 0.504 2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.696 0.198 4.167 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.046 2.864 1.841 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.910 4.102 2.757 1.00 0.00 H new ATOM 684 N GLU A 108 -10.994 -1.779 4.919 1.00 0.00 N ATOM 685 CA GLU A 108 -9.785 -2.589 4.852 1.00 0.00 C ATOM 686 C GLU A 108 -9.556 -3.139 3.450 1.00 0.00 C ATOM 687 O GLU A 108 -10.503 -3.453 2.729 1.00 0.00 O ATOM 688 CB GLU A 108 -9.864 -3.733 5.858 1.00 0.00 C ATOM 689 CG GLU A 108 -9.998 -3.268 7.296 1.00 0.00 C ATOM 690 CD GLU A 108 -11.168 -3.915 8.014 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.169 -5.157 8.148 1.00 0.00 O ATOM 692 OE2 GLU A 108 -12.080 -3.179 8.444 1.00 0.00 O ATOM 0 H GLU A 108 -11.840 -2.301 5.149 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.940 -1.947 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.715 -4.367 5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.970 -4.349 5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.077 -3.494 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.120 -2.185 7.313 1.00 0.00 H new ATOM 699 N GLY A 109 -8.287 -3.253 3.076 1.00 0.00 N ATOM 700 CA GLY A 109 -7.937 -3.768 1.767 1.00 0.00 C ATOM 701 C GLY A 109 -6.452 -3.657 1.489 1.00 0.00 C ATOM 702 O GLY A 109 -5.694 -3.153 2.317 1.00 0.00 O ATOM 0 H GLY A 109 -7.491 -2.996 3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.242 -4.812 1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.490 -3.221 1.003 1.00 0.00 H new ATOM 706 N PHE A 110 -6.036 -4.131 0.323 1.00 0.00 N ATOM 707 CA PHE A 110 -4.637 -4.090 -0.065 1.00 0.00 C ATOM 708 C PHE A 110 -4.324 -2.798 -0.807 1.00 0.00 C ATOM 709 O PHE A 110 -5.130 -2.318 -1.603 1.00 0.00 O ATOM 710 CB PHE A 110 -4.315 -5.297 -0.940 1.00 0.00 C ATOM 711 CG PHE A 110 -3.703 -6.439 -0.182 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.302 -6.920 0.971 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.530 -7.032 -0.622 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.742 -7.971 1.672 1.00 0.00 C ATOM 715 CE2 PHE A 110 -1.966 -8.083 0.075 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.572 -8.554 1.224 1.00 0.00 C ATOM 0 H PHE A 110 -6.653 -4.550 -0.373 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.019 -4.123 0.832 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.230 -5.640 -1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.632 -4.990 -1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.217 -6.469 1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.052 -6.668 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.219 -8.337 2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.052 -8.536 -0.278 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.132 -9.375 1.770 1.00 0.00 H new ATOM 726 N ILE A 111 -3.155 -2.230 -0.538 1.00 0.00 N ATOM 727 CA ILE A 111 -2.756 -0.986 -1.179 1.00 0.00 C ATOM 728 C ILE A 111 -1.315 -1.032 -1.677 1.00 0.00 C ATOM 729 O ILE A 111 -0.439 -1.627 -1.049 1.00 0.00 O ATOM 730 CB ILE A 111 -2.896 0.210 -0.217 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.995 -0.002 1.002 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.348 0.400 0.191 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.509 1.279 1.640 1.00 0.00 C ATOM 0 H ILE A 111 -2.471 -2.609 0.116 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.425 -0.860 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.578 1.120 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.540 -0.582 1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.132 -0.597 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.427 1.249 0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.954 0.587 -0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.706 -0.500 0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.877 1.042 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.935 1.853 0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.364 1.867 1.972 1.00 0.00 H new ATOM 745 N PRO A 112 -1.062 -0.369 -2.807 1.00 0.00 N ATOM 746 CA PRO A 112 0.265 -0.281 -3.401 1.00 0.00 C ATOM 747 C PRO A 112 1.276 0.288 -2.409 1.00 0.00 C ATOM 748 O PRO A 112 1.156 1.437 -1.983 1.00 0.00 O ATOM 749 CB PRO A 112 0.078 0.671 -4.591 1.00 0.00 C ATOM 750 CG PRO A 112 -1.247 1.321 -4.378 1.00 0.00 C ATOM 751 CD PRO A 112 -2.059 0.369 -3.571 1.00 0.00 C ATOM 0 HA PRO A 112 0.652 -1.256 -3.697 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.877 1.412 -4.630 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.101 0.128 -5.536 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.134 2.272 -3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.732 1.534 -5.330 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.758 0.892 -2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.649 -0.293 -4.205 1.00 0.00 H new ATOM 759 N PHE A 113 2.257 -0.521 -2.027 1.00 0.00 N ATOM 760 CA PHE A 113 3.270 -0.096 -1.063 1.00 0.00 C ATOM 761 C PHE A 113 3.988 1.183 -1.508 1.00 0.00 C ATOM 762 O PHE A 113 4.592 1.875 -0.689 1.00 0.00 O ATOM 763 CB PHE A 113 4.281 -1.226 -0.817 1.00 0.00 C ATOM 764 CG PHE A 113 5.412 -1.275 -1.811 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.182 -1.056 -3.160 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.705 -1.538 -1.389 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.221 -1.100 -4.069 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.748 -1.582 -2.294 1.00 0.00 C ATOM 769 CZ PHE A 113 7.507 -1.362 -3.637 1.00 0.00 C ATOM 0 H PHE A 113 2.374 -1.475 -2.369 1.00 0.00 H new ATOM 0 HA PHE A 113 2.757 0.131 -0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.698 -1.113 0.184 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.754 -2.180 -0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.180 -0.849 -3.504 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.900 -1.711 -0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.028 -0.930 -5.118 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.751 -1.788 -1.952 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.321 -1.395 -4.346 1.00 0.00 H new ATOM 779 N ASN A 114 3.923 1.495 -2.799 1.00 0.00 N ATOM 780 CA ASN A 114 4.573 2.691 -3.327 1.00 0.00 C ATOM 781 C ASN A 114 3.559 3.811 -3.541 1.00 0.00 C ATOM 782 O ASN A 114 3.693 4.618 -4.462 1.00 0.00 O ATOM 783 CB ASN A 114 5.283 2.372 -4.644 1.00 0.00 C ATOM 784 CG ASN A 114 4.416 1.568 -5.592 1.00 0.00 C ATOM 785 OD1 ASN A 114 3.203 1.469 -5.410 1.00 0.00 O ATOM 786 ND2 ASN A 114 5.037 0.985 -6.611 1.00 0.00 N ATOM 0 H ASN A 114 3.429 0.939 -3.497 1.00 0.00 H new ATOM 0 HA ASN A 114 5.310 3.026 -2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.578 3.303 -5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.198 1.817 -4.435 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.506 0.429 -7.281 1.00 0.00 H new ATOM 0 HD22 ASN A 114 6.045 1.094 -6.724 1.00 0.00 H new ATOM 793 N PHE A 115 2.541 3.845 -2.689 1.00 0.00 N ATOM 794 CA PHE A 115 1.491 4.853 -2.783 1.00 0.00 C ATOM 795 C PHE A 115 1.390 5.677 -1.504 1.00 0.00 C ATOM 796 O PHE A 115 0.985 6.839 -1.533 1.00 0.00 O ATOM 797 CB PHE A 115 0.150 4.165 -3.030 1.00 0.00 C ATOM 798 CG PHE A 115 -0.651 4.740 -4.161 1.00 0.00 C ATOM 799 CD1 PHE A 115 -1.359 5.919 -4.000 1.00 0.00 C ATOM 800 CD2 PHE A 115 -0.720 4.083 -5.377 1.00 0.00 C ATOM 801 CE1 PHE A 115 -2.116 6.432 -5.033 1.00 0.00 C ATOM 802 CE2 PHE A 115 -1.479 4.587 -6.411 1.00 0.00 C ATOM 803 CZ PHE A 115 -2.180 5.764 -6.240 1.00 0.00 C ATOM 0 H PHE A 115 2.420 3.183 -1.922 1.00 0.00 H new ATOM 0 HA PHE A 115 1.740 5.521 -3.607 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.330 3.109 -3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.444 4.219 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.318 6.442 -3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -0.172 3.163 -5.518 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -2.659 7.356 -4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -1.525 4.062 -7.354 1.00 0.00 H new ATOM 0 HZ PHE A 115 -2.777 6.161 -7.048 1.00 0.00 H new ATOM 813 N VAL A 116 1.720 5.057 -0.375 1.00 0.00 N ATOM 814 CA VAL A 116 1.619 5.729 0.914 1.00 0.00 C ATOM 815 C VAL A 116 2.974 6.047 1.535 1.00 0.00 C ATOM 816 O VAL A 116 3.952 5.323 1.352 1.00 0.00 O ATOM 817 CB VAL A 116 0.811 4.881 1.911 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.630 4.754 1.449 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.447 3.505 2.097 1.00 0.00 C ATOM 0 H VAL A 116 2.058 4.096 -0.327 1.00 0.00 H new ATOM 0 HA VAL A 116 1.111 6.672 0.713 1.00 0.00 H new ATOM 0 HB VAL A 116 0.819 5.385 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.190 4.151 2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -1.079 5.745 1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.657 4.274 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.857 2.924 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.477 2.986 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.461 3.622 2.478 1.00 0.00 H new ATOM 829 N ALA A 117 2.997 7.139 2.295 1.00 0.00 N ATOM 830 CA ALA A 117 4.192 7.589 2.993 1.00 0.00 C ATOM 831 C ALA A 117 3.818 8.028 4.404 1.00 0.00 C ATOM 832 O ALA A 117 2.773 8.644 4.606 1.00 0.00 O ATOM 833 CB ALA A 117 4.857 8.727 2.232 1.00 0.00 C ATOM 0 H ALA A 117 2.184 7.736 2.443 1.00 0.00 H new ATOM 0 HA ALA A 117 4.905 6.767 3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.749 9.051 2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.137 8.384 1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.162 9.562 2.146 1.00 0.00 H new ATOM 839 N LYS A 118 4.659 7.695 5.379 1.00 0.00 N ATOM 840 CA LYS A 118 4.396 8.042 6.777 1.00 0.00 C ATOM 841 C LYS A 118 3.794 9.436 6.919 1.00 0.00 C ATOM 842 O LYS A 118 4.214 10.376 6.245 1.00 0.00 O ATOM 843 CB LYS A 118 5.688 7.953 7.593 1.00 0.00 C ATOM 844 CG LYS A 118 6.262 6.548 7.678 1.00 0.00 C ATOM 845 CD LYS A 118 5.185 5.530 8.012 1.00 0.00 C ATOM 846 CE LYS A 118 5.754 4.124 8.116 1.00 0.00 C ATOM 847 NZ LYS A 118 6.227 3.616 6.798 1.00 0.00 N ATOM 0 H LYS A 118 5.530 7.185 5.229 1.00 0.00 H new ATOM 0 HA LYS A 118 3.668 7.326 7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.433 8.614 7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.496 8.319 8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.731 6.287 6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.043 6.517 8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.708 5.800 8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.411 5.554 7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.582 4.119 8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 118 4.992 3.452 8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.481 2.611 6.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.470 3.723 6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.061 4.159 6.496 1.00 0.00 H new ATOM 861 N ALA A 119 2.803 9.559 7.805 1.00 0.00 N ATOM 862 CA ALA A 119 2.138 10.842 8.045 1.00 0.00 C ATOM 863 C ALA A 119 3.076 11.821 8.747 1.00 0.00 C ATOM 864 O ALA A 119 2.749 12.362 9.804 1.00 0.00 O ATOM 865 CB ALA A 119 0.867 10.654 8.871 1.00 0.00 C ATOM 0 H ALA A 119 2.444 8.787 8.367 1.00 0.00 H new ATOM 0 HA ALA A 119 1.864 11.257 7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.393 11.622 9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.179 9.999 8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.121 10.207 9.832 1.00 0.00 H new ATOM 871 N ASN A 120 4.243 12.044 8.153 1.00 0.00 N ATOM 872 CA ASN A 120 5.227 12.957 8.722 1.00 0.00 C ATOM 873 C ASN A 120 5.791 13.886 7.650 1.00 0.00 C ATOM 874 O ASN A 120 6.296 13.372 6.629 1.00 0.00 O ATOM 875 CB ASN A 120 6.362 12.167 9.382 1.00 0.00 C ATOM 876 CG ASN A 120 6.469 12.443 10.869 1.00 0.00 C ATOM 877 OD1 ASN A 120 5.463 12.512 11.574 1.00 0.00 O ATOM 878 ND2 ASN A 120 7.695 12.603 11.353 1.00 0.00 N ATOM 879 OXT ASN A 120 5.722 15.118 7.841 1.00 0.00 O ATOM 0 H ASN A 120 4.531 11.605 7.278 1.00 0.00 H new ATOM 0 HA ASN A 120 4.730 13.566 9.477 1.00 0.00 H new ATOM 0 HB2 ASN A 120 6.199 11.101 9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.306 12.420 8.899 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.831 12.791 12.346 1.00 0.00 H new ATOM 0 HD22 ASN A 120 8.501 12.537 10.732 1.00 0.00 H new