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 -140:sc= -1.64! USER MOD Set 1.2: A 107 GLN : amide:sc= -3.86! C(o=-5.5!,f=-6.7!) USER MOD Single : A 70 HIS : no HE2:sc= -12.2! C(o=-12!,f=-12!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 72 TYR OH : rot 65:sc= 0.228 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= -0.203 X(o=-0.2,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -129:sc= -2.67 (180deg=-7.11!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0609 USER MOD Single : A 104 THR OG1 : rot 125:sc= 0.122 USER MOD Single : A 114 ASN : amide:sc= 0.697 K(o=0.7,f=-6.8!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.333 X(o=-0.33,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 65 1.074 3.689 10.635 1.00 0.00 N ATOM 16 CA LEU A 65 0.195 4.479 9.786 1.00 0.00 C ATOM 17 C LEU A 65 0.967 5.299 8.773 1.00 0.00 C ATOM 18 O LEU A 65 2.044 5.826 9.048 1.00 0.00 O ATOM 19 CB LEU A 65 -0.698 5.401 10.611 1.00 0.00 C ATOM 20 CG LEU A 65 -1.425 6.471 9.809 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.299 5.824 8.751 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.255 7.360 10.722 1.00 0.00 C ATOM 0 HA LEU A 65 -0.430 3.766 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.437 4.795 11.135 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.089 5.889 11.372 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.683 7.098 9.314 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.815 6.598 8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.678 5.232 8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.033 5.176 9.231 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.765 8.117 10.127 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.993 6.754 11.248 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.603 7.847 11.447 1.00 0.00 H new ATOM 34 N VAL A 66 0.387 5.382 7.595 1.00 0.00 N ATOM 35 CA VAL A 66 0.972 6.116 6.490 1.00 0.00 C ATOM 36 C VAL A 66 0.002 7.127 5.894 1.00 0.00 C ATOM 37 O VAL A 66 -1.119 7.295 6.367 1.00 0.00 O ATOM 38 CB VAL A 66 1.397 5.158 5.378 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.708 4.477 5.724 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.308 4.131 5.104 1.00 0.00 C ATOM 0 H VAL A 66 -0.506 4.942 7.374 1.00 0.00 H new ATOM 0 HA VAL A 66 1.834 6.647 6.894 1.00 0.00 H new ATOM 0 HB VAL A 66 1.549 5.740 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.990 3.800 4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.486 5.230 5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.591 3.911 6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.633 3.460 4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.115 3.555 6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.605 4.642 4.798 1.00 0.00 H new ATOM 50 N ILE A 67 0.448 7.787 4.834 1.00 0.00 N ATOM 51 CA ILE A 67 -0.365 8.768 4.142 1.00 0.00 C ATOM 52 C ILE A 67 -0.078 8.744 2.648 1.00 0.00 C ATOM 53 O ILE A 67 1.073 8.818 2.219 1.00 0.00 O ATOM 54 CB ILE A 67 -0.167 10.193 4.716 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.413 10.576 5.501 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.106 11.212 3.615 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.489 12.032 5.909 1.00 0.00 C ATOM 0 H ILE A 67 1.377 7.656 4.435 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.409 8.497 4.302 1.00 0.00 H new ATOM 0 HB ILE A 67 0.704 10.193 5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.291 10.336 4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.463 9.960 6.399 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.239 12.199 4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.011 10.931 3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.736 11.235 2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.411 12.207 6.463 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.635 12.278 6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.476 12.661 5.019 1.00 0.00 H new ATOM 69 N ALA A 68 -1.138 8.628 1.866 1.00 0.00 N ATOM 70 CA ALA A 68 -1.015 8.577 0.415 1.00 0.00 C ATOM 71 C ALA A 68 -0.470 9.882 -0.149 1.00 0.00 C ATOM 72 O ALA A 68 -0.682 10.954 0.416 1.00 0.00 O ATOM 73 CB ALA A 68 -2.357 8.246 -0.217 1.00 0.00 C ATOM 0 H ALA A 68 -2.096 8.567 2.210 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.303 7.789 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.250 8.211 -1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.700 7.277 0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.084 9.012 0.051 1.00 0.00 H new ATOM 79 N LEU A 69 0.229 9.779 -1.274 1.00 0.00 N ATOM 80 CA LEU A 69 0.803 10.946 -1.930 1.00 0.00 C ATOM 81 C LEU A 69 0.073 11.252 -3.241 1.00 0.00 C ATOM 82 O LEU A 69 0.321 12.279 -3.873 1.00 0.00 O ATOM 83 CB LEU A 69 2.297 10.725 -2.184 1.00 0.00 C ATOM 84 CG LEU A 69 3.169 10.734 -0.925 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.640 10.542 -1.276 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.973 12.031 -0.155 1.00 0.00 C ATOM 0 H LEU A 69 0.412 8.896 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 69 0.682 11.806 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.428 9.770 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.655 11.499 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 69 2.861 9.901 -0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.236 10.553 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.771 9.587 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.966 11.349 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.599 12.023 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.252 12.875 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.927 12.126 0.137 1.00 0.00 H new ATOM 98 N HIS A 70 -0.835 10.359 -3.638 1.00 0.00 N ATOM 99 CA HIS A 70 -1.611 10.540 -4.862 1.00 0.00 C ATOM 100 C HIS A 70 -2.960 9.837 -4.751 1.00 0.00 C ATOM 101 O HIS A 70 -3.222 9.126 -3.782 1.00 0.00 O ATOM 102 CB HIS A 70 -0.850 10.012 -6.085 1.00 0.00 C ATOM 103 CG HIS A 70 -0.033 8.784 -5.826 1.00 0.00 C ATOM 104 ND1 HIS A 70 -0.089 7.661 -6.621 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.879 8.514 -4.866 1.00 0.00 C ATOM 106 CE1 HIS A 70 0.755 6.755 -6.162 1.00 0.00 C ATOM 107 NE2 HIS A 70 1.358 7.248 -5.097 1.00 0.00 N ATOM 0 H HIS A 70 -1.050 9.502 -3.128 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.776 11.610 -4.993 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.567 9.796 -6.877 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.193 10.799 -6.456 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.689 7.547 -7.438 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.177 9.173 -4.064 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.923 5.776 -6.586 1.00 0.00 H new ATOM 116 N SER A 71 -3.815 10.041 -5.750 1.00 0.00 N ATOM 117 CA SER A 71 -5.136 9.423 -5.760 1.00 0.00 C ATOM 118 C SER A 71 -5.046 7.977 -6.232 1.00 0.00 C ATOM 119 O SER A 71 -4.526 7.699 -7.311 1.00 0.00 O ATOM 120 CB SER A 71 -6.086 10.205 -6.666 1.00 0.00 C ATOM 121 OG SER A 71 -5.672 11.555 -6.798 1.00 0.00 O ATOM 0 H SER A 71 -3.617 10.628 -6.560 1.00 0.00 H new ATOM 0 HA SER A 71 -5.526 9.438 -4.742 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.124 9.736 -7.649 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.095 10.170 -6.256 1.00 0.00 H new ATOM 0 HG SER A 71 -6.296 12.033 -7.384 1.00 0.00 H new ATOM 127 N TYR A 72 -5.547 7.059 -5.414 1.00 0.00 N ATOM 128 CA TYR A 72 -5.507 5.638 -5.758 1.00 0.00 C ATOM 129 C TYR A 72 -6.856 5.122 -6.247 1.00 0.00 C ATOM 130 O TYR A 72 -7.912 5.559 -5.786 1.00 0.00 O ATOM 131 CB TYR A 72 -5.062 4.795 -4.562 1.00 0.00 C ATOM 132 CG TYR A 72 -4.863 3.335 -4.905 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.129 2.955 -6.023 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.415 2.335 -4.117 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.953 1.622 -6.343 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.242 1.000 -4.429 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.511 0.650 -5.543 1.00 0.00 C ATOM 138 OH TYR A 72 -4.341 -0.677 -5.859 1.00 0.00 O ATOM 0 H TYR A 72 -5.982 7.267 -4.515 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.784 5.543 -6.568 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.130 5.199 -4.167 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.806 4.878 -3.770 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.689 3.714 -6.652 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.990 2.605 -3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.381 1.344 -7.216 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.677 0.235 -3.803 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.392 -0.912 -5.786 1.00 0.00 H new ATOM 148 N GLU A 73 -6.801 4.168 -7.173 1.00 0.00 N ATOM 149 CA GLU A 73 -7.991 3.553 -7.727 1.00 0.00 C ATOM 150 C GLU A 73 -7.812 2.036 -7.806 1.00 0.00 C ATOM 151 O GLU A 73 -7.261 1.511 -8.774 1.00 0.00 O ATOM 152 CB GLU A 73 -8.275 4.120 -9.101 1.00 0.00 C ATOM 153 CG GLU A 73 -9.584 4.877 -9.183 1.00 0.00 C ATOM 154 CD GLU A 73 -9.704 5.704 -10.447 1.00 0.00 C ATOM 155 OE1 GLU A 73 -8.658 6.016 -11.054 1.00 0.00 O ATOM 156 OE2 GLU A 73 -10.844 6.043 -10.830 1.00 0.00 O ATOM 0 H GLU A 73 -5.929 3.804 -7.556 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.837 3.771 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.461 4.786 -9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.289 3.306 -9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.412 4.169 -9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.675 5.531 -8.316 1.00 0.00 H new ATOM 163 N PRO A 74 -8.275 1.322 -6.772 1.00 0.00 N ATOM 164 CA PRO A 74 -8.184 -0.131 -6.670 1.00 0.00 C ATOM 165 C PRO A 74 -8.399 -0.842 -8.002 1.00 0.00 C ATOM 166 O PRO A 74 -9.429 -0.670 -8.655 1.00 0.00 O ATOM 167 CB PRO A 74 -9.301 -0.493 -5.675 1.00 0.00 C ATOM 168 CG PRO A 74 -9.906 0.807 -5.232 1.00 0.00 C ATOM 169 CD PRO A 74 -8.927 1.883 -5.604 1.00 0.00 C ATOM 0 HA PRO A 74 -7.190 -0.446 -6.352 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.050 -1.130 -6.146 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.901 -1.046 -4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.867 0.973 -5.718 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.088 0.803 -4.157 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.426 2.825 -5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.218 2.083 -4.800 1.00 0.00 H new ATOM 177 N SER A 75 -7.418 -1.650 -8.391 1.00 0.00 N ATOM 178 CA SER A 75 -7.487 -2.402 -9.638 1.00 0.00 C ATOM 179 C SER A 75 -7.394 -3.900 -9.366 1.00 0.00 C ATOM 180 O SER A 75 -8.104 -4.698 -9.979 1.00 0.00 O ATOM 181 CB SER A 75 -6.364 -1.971 -10.583 1.00 0.00 C ATOM 182 OG SER A 75 -6.762 -2.092 -11.937 1.00 0.00 O ATOM 0 H SER A 75 -6.562 -1.801 -7.857 1.00 0.00 H new ATOM 0 HA SER A 75 -8.446 -2.192 -10.111 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.085 -0.938 -10.374 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.480 -2.583 -10.405 1.00 0.00 H new ATOM 0 HG SER A 75 -6.027 -1.809 -12.520 1.00 0.00 H new ATOM 188 N HIS A 76 -6.517 -4.274 -8.438 1.00 0.00 N ATOM 189 CA HIS A 76 -6.333 -5.675 -8.079 1.00 0.00 C ATOM 190 C HIS A 76 -7.425 -6.133 -7.117 1.00 0.00 C ATOM 191 O HIS A 76 -8.040 -5.320 -6.428 1.00 0.00 O ATOM 192 CB HIS A 76 -4.955 -5.886 -7.446 1.00 0.00 C ATOM 193 CG HIS A 76 -3.894 -6.257 -8.435 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.349 -5.357 -9.327 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.275 -7.438 -8.670 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.442 -5.969 -10.069 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.378 -7.232 -9.689 1.00 0.00 N ATOM 0 H HIS A 76 -5.923 -3.625 -7.922 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.399 -6.271 -8.989 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.657 -4.973 -6.931 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.027 -6.669 -6.691 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.454 -8.369 -8.152 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.854 -5.514 -10.852 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.762 -7.940 -10.088 1.00 0.00 H new ATOM 206 N ASP A 77 -7.664 -7.440 -7.077 1.00 0.00 N ATOM 207 CA ASP A 77 -8.684 -8.003 -6.199 1.00 0.00 C ATOM 208 C ASP A 77 -8.294 -7.842 -4.733 1.00 0.00 C ATOM 209 O ASP A 77 -7.121 -7.956 -4.378 1.00 0.00 O ATOM 210 CB ASP A 77 -8.902 -9.483 -6.521 1.00 0.00 C ATOM 211 CG ASP A 77 -7.601 -10.257 -6.595 1.00 0.00 C ATOM 212 OD1 ASP A 77 -6.709 -9.846 -7.367 1.00 0.00 O ATOM 213 OD2 ASP A 77 -7.473 -11.272 -5.879 1.00 0.00 O ATOM 0 H ASP A 77 -7.166 -8.128 -7.641 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.613 -7.459 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.543 -9.927 -5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.429 -9.571 -7.471 1.00 0.00 H new ATOM 218 N GLY A 78 -9.285 -7.577 -3.886 1.00 0.00 N ATOM 219 CA GLY A 78 -9.020 -7.405 -2.470 1.00 0.00 C ATOM 220 C GLY A 78 -8.129 -6.216 -2.187 1.00 0.00 C ATOM 221 O GLY A 78 -7.252 -6.283 -1.326 1.00 0.00 O ATOM 0 H GLY A 78 -10.264 -7.479 -4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.964 -7.282 -1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.550 -8.308 -2.079 1.00 0.00 H new ATOM 225 N ASP A 79 -8.348 -5.122 -2.911 1.00 0.00 N ATOM 226 CA ASP A 79 -7.551 -3.917 -2.728 1.00 0.00 C ATOM 227 C ASP A 79 -8.367 -2.811 -2.071 1.00 0.00 C ATOM 228 O ASP A 79 -9.594 -2.782 -2.171 1.00 0.00 O ATOM 229 CB ASP A 79 -7.007 -3.429 -4.069 1.00 0.00 C ATOM 230 CG ASP A 79 -5.987 -4.383 -4.657 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.268 -5.600 -4.702 1.00 0.00 O ATOM 232 OD2 ASP A 79 -4.905 -3.915 -5.068 1.00 0.00 O ATOM 0 H ASP A 79 -9.070 -5.047 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.718 -4.167 -2.072 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.832 -3.306 -4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.551 -2.448 -3.938 1.00 0.00 H new ATOM 237 N LEU A 80 -7.670 -1.899 -1.409 1.00 0.00 N ATOM 238 CA LEU A 80 -8.311 -0.777 -0.738 1.00 0.00 C ATOM 239 C LEU A 80 -7.978 0.523 -1.462 1.00 0.00 C ATOM 240 O LEU A 80 -6.811 0.815 -1.726 1.00 0.00 O ATOM 241 CB LEU A 80 -7.860 -0.710 0.729 1.00 0.00 C ATOM 242 CG LEU A 80 -7.942 0.669 1.387 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.391 1.068 1.633 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.159 0.684 2.690 1.00 0.00 C ATOM 0 H LEU A 80 -6.654 -1.915 -1.322 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.391 -0.919 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.467 -1.405 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.830 -1.060 0.789 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.499 1.397 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.423 2.052 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.926 1.101 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.863 0.338 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.228 1.672 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.573 -0.059 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.114 0.449 2.489 1.00 0.00 H new ATOM 256 N GLY A 81 -9.004 1.301 -1.777 1.00 0.00 N ATOM 257 CA GLY A 81 -8.788 2.559 -2.462 1.00 0.00 C ATOM 258 C GLY A 81 -8.713 3.724 -1.502 1.00 0.00 C ATOM 259 O GLY A 81 -9.404 3.745 -0.484 1.00 0.00 O ATOM 0 H GLY A 81 -9.979 1.084 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.864 2.504 -3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.597 2.727 -3.173 1.00 0.00 H new ATOM 263 N PHE A 82 -7.871 4.695 -1.825 1.00 0.00 N ATOM 264 CA PHE A 82 -7.707 5.865 -0.980 1.00 0.00 C ATOM 265 C PHE A 82 -7.463 7.107 -1.815 1.00 0.00 C ATOM 266 O PHE A 82 -7.342 7.037 -3.038 1.00 0.00 O ATOM 267 CB PHE A 82 -6.549 5.666 -0.002 1.00 0.00 C ATOM 268 CG PHE A 82 -5.373 4.927 -0.583 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.467 3.581 -0.898 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.174 5.579 -0.811 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.386 2.903 -1.430 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.088 4.905 -1.341 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.196 3.565 -1.651 1.00 0.00 C ATOM 0 H PHE A 82 -7.292 4.694 -2.665 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.630 5.999 -0.416 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.213 6.641 0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.913 5.121 0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.395 3.056 -0.726 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.085 6.628 -0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.473 1.854 -1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.158 5.427 -1.512 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.351 3.036 -2.066 1.00 0.00 H new ATOM 283 N GLU A 83 -7.393 8.246 -1.143 1.00 0.00 N ATOM 284 CA GLU A 83 -7.166 9.510 -1.819 1.00 0.00 C ATOM 285 C GLU A 83 -5.760 10.028 -1.543 1.00 0.00 C ATOM 286 O GLU A 83 -5.029 9.466 -0.728 1.00 0.00 O ATOM 287 CB GLU A 83 -8.202 10.532 -1.354 1.00 0.00 C ATOM 288 CG GLU A 83 -9.271 10.825 -2.392 1.00 0.00 C ATOM 289 CD GLU A 83 -9.531 12.309 -2.562 1.00 0.00 C ATOM 290 OE1 GLU A 83 -10.376 12.852 -1.819 1.00 0.00 O ATOM 291 OE2 GLU A 83 -8.891 12.927 -3.438 1.00 0.00 O ATOM 0 H GLU A 83 -7.490 8.319 -0.130 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.266 9.354 -2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.680 10.166 -0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.694 11.461 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.968 10.402 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.198 10.329 -2.103 1.00 0.00 H new ATOM 298 N LYS A 84 -5.391 11.109 -2.214 1.00 0.00 N ATOM 299 CA LYS A 84 -4.081 11.707 -2.019 1.00 0.00 C ATOM 300 C LYS A 84 -4.042 12.391 -0.656 1.00 0.00 C ATOM 301 O LYS A 84 -4.924 13.181 -0.321 1.00 0.00 O ATOM 302 CB LYS A 84 -3.777 12.690 -3.153 1.00 0.00 C ATOM 303 CG LYS A 84 -2.715 13.726 -2.814 1.00 0.00 C ATOM 304 CD LYS A 84 -2.858 14.970 -3.672 1.00 0.00 C ATOM 305 CE LYS A 84 -2.550 14.677 -5.131 1.00 0.00 C ATOM 306 NZ LYS A 84 -2.146 15.905 -5.871 1.00 0.00 N ATOM 0 H LYS A 84 -5.979 11.588 -2.896 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.311 10.936 -2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.453 12.128 -4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.697 13.206 -3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.793 13.998 -1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.725 13.294 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.872 15.360 -3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.186 15.746 -3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.752 13.937 -5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.428 14.239 -5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.945 15.663 -6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.917 16.602 -5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.294 16.309 -5.433 1.00 0.00 H new ATOM 320 N GLY A 85 -3.036 12.051 0.139 1.00 0.00 N ATOM 321 CA GLY A 85 -2.925 12.607 1.476 1.00 0.00 C ATOM 322 C GLY A 85 -3.741 11.811 2.474 1.00 0.00 C ATOM 323 O GLY A 85 -3.590 11.976 3.684 1.00 0.00 O ATOM 0 H GLY A 85 -2.294 11.400 -0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.879 12.615 1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.264 13.643 1.470 1.00 0.00 H new ATOM 327 N GLU A 86 -4.596 10.923 1.963 1.00 0.00 N ATOM 328 CA GLU A 86 -5.420 10.077 2.806 1.00 0.00 C ATOM 329 C GLU A 86 -4.541 9.282 3.750 1.00 0.00 C ATOM 330 O GLU A 86 -3.331 9.194 3.554 1.00 0.00 O ATOM 331 CB GLU A 86 -6.240 9.117 1.938 1.00 0.00 C ATOM 332 CG GLU A 86 -7.658 8.834 2.418 1.00 0.00 C ATOM 333 CD GLU A 86 -8.083 9.647 3.630 1.00 0.00 C ATOM 334 OE1 GLU A 86 -7.749 9.241 4.763 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.747 10.688 3.443 1.00 0.00 O ATOM 0 H GLU A 86 -4.731 10.776 0.963 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.097 10.705 3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.293 9.525 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.704 8.170 1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.352 9.032 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.743 7.774 2.658 1.00 0.00 H new ATOM 342 N GLN A 87 -5.149 8.699 4.764 1.00 0.00 N ATOM 343 CA GLN A 87 -4.404 7.909 5.727 1.00 0.00 C ATOM 344 C GLN A 87 -4.960 6.502 5.826 1.00 0.00 C ATOM 345 O GLN A 87 -6.158 6.271 5.663 1.00 0.00 O ATOM 346 CB GLN A 87 -4.409 8.574 7.101 1.00 0.00 C ATOM 347 CG GLN A 87 -4.166 10.070 7.045 1.00 0.00 C ATOM 348 CD GLN A 87 -5.025 10.841 8.029 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.566 11.898 7.705 1.00 0.00 O ATOM 350 NE2 GLN A 87 -5.153 10.314 9.242 1.00 0.00 N ATOM 0 H GLN A 87 -6.152 8.756 4.943 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.374 7.848 5.375 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.368 8.387 7.584 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.643 8.112 7.723 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.115 10.271 7.252 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.367 10.429 6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.687 9.435 9.468 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.717 10.788 9.947 1.00 0.00 H new ATOM 359 N LEU A 88 -4.066 5.570 6.096 1.00 0.00 N ATOM 360 CA LEU A 88 -4.425 4.166 6.227 1.00 0.00 C ATOM 361 C LEU A 88 -3.532 3.499 7.244 1.00 0.00 C ATOM 362 O LEU A 88 -2.306 3.560 7.146 1.00 0.00 O ATOM 363 CB LEU A 88 -4.287 3.420 4.902 1.00 0.00 C ATOM 364 CG LEU A 88 -4.519 4.247 3.641 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.448 3.940 2.608 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.904 3.965 3.087 1.00 0.00 C ATOM 0 H LEU A 88 -3.073 5.761 6.231 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.467 4.128 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.286 2.991 4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.991 2.588 4.901 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.456 5.306 3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.624 4.536 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.467 4.182 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.483 2.881 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.064 4.558 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.990 2.906 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.655 4.228 3.833 1.00 0.00 H new ATOM 378 N ARG A 89 -4.146 2.847 8.204 1.00 0.00 N ATOM 379 CA ARG A 89 -3.407 2.156 9.221 1.00 0.00 C ATOM 380 C ARG A 89 -2.931 0.818 8.678 1.00 0.00 C ATOM 381 O ARG A 89 -3.702 -0.133 8.558 1.00 0.00 O ATOM 382 CB ARG A 89 -4.269 1.973 10.460 1.00 0.00 C ATOM 383 CG ARG A 89 -3.668 1.010 11.444 1.00 0.00 C ATOM 384 CD ARG A 89 -4.462 0.975 12.732 1.00 0.00 C ATOM 385 NE ARG A 89 -3.659 0.500 13.856 1.00 0.00 N ATOM 386 CZ ARG A 89 -3.550 -0.781 14.205 1.00 0.00 C ATOM 387 NH1 ARG A 89 -4.179 -1.725 13.515 1.00 0.00 N ATOM 388 NH2 ARG A 89 -2.801 -1.120 15.247 1.00 0.00 N ATOM 0 H ARG A 89 -5.160 2.784 8.297 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.535 2.744 9.506 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.413 2.939 10.944 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.255 1.615 10.163 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.636 0.012 11.007 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.639 1.298 11.656 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.840 1.973 12.952 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.329 0.327 12.606 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.151 1.191 14.407 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.752 -1.472 12.710 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.089 -2.703 13.790 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.311 -0.400 15.778 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.716 -2.100 15.516 1.00 0.00 H new ATOM 402 N ILE A 90 -1.661 0.774 8.326 1.00 0.00 N ATOM 403 CA ILE A 90 -1.056 -0.420 7.759 1.00 0.00 C ATOM 404 C ILE A 90 -1.205 -1.627 8.671 1.00 0.00 C ATOM 405 O ILE A 90 -0.580 -1.711 9.728 1.00 0.00 O ATOM 406 CB ILE A 90 0.438 -0.200 7.439 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.629 1.081 6.633 1.00 0.00 C ATOM 408 CG2 ILE A 90 0.998 -1.381 6.669 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.063 1.061 5.288 1.00 0.00 C ATOM 0 H ILE A 90 -1.019 1.561 8.424 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.593 -0.621 6.832 1.00 0.00 H new ATOM 0 HB ILE A 90 0.977 -0.107 8.382 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.253 1.924 7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.695 1.249 6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.052 -1.207 6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.895 -2.287 7.266 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.450 -1.498 5.734 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.117 2.004 4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.329 0.239 4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.135 0.925 5.432 1.00 0.00 H new ATOM 421 N LEU A 91 -2.019 -2.570 8.225 1.00 0.00 N ATOM 422 CA LEU A 91 -2.251 -3.803 8.954 1.00 0.00 C ATOM 423 C LEU A 91 -1.084 -4.739 8.698 1.00 0.00 C ATOM 424 O LEU A 91 -0.502 -5.313 9.619 1.00 0.00 O ATOM 425 CB LEU A 91 -3.555 -4.437 8.474 1.00 0.00 C ATOM 426 CG LEU A 91 -4.719 -3.452 8.335 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.952 -4.130 7.765 1.00 0.00 C ATOM 428 CD2 LEU A 91 -5.033 -2.800 9.676 1.00 0.00 C ATOM 0 H LEU A 91 -2.536 -2.501 7.349 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.332 -3.605 10.023 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.380 -4.914 7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.841 -5.224 9.172 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.416 -2.674 7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.760 -3.403 7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.722 -4.535 6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.261 -4.939 8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.863 -2.103 9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.306 -3.569 10.399 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.155 -2.261 10.033 1.00 0.00 H new ATOM 440 N GLU A 92 -0.734 -4.841 7.426 1.00 0.00 N ATOM 441 CA GLU A 92 0.385 -5.654 6.987 1.00 0.00 C ATOM 442 C GLU A 92 1.086 -4.959 5.830 1.00 0.00 C ATOM 443 O GLU A 92 0.479 -4.153 5.127 1.00 0.00 O ATOM 444 CB GLU A 92 -0.078 -7.050 6.582 1.00 0.00 C ATOM 445 CG GLU A 92 0.472 -8.133 7.490 1.00 0.00 C ATOM 446 CD GLU A 92 -0.613 -8.860 8.261 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.560 -8.191 8.727 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.517 -10.097 8.396 1.00 0.00 O ATOM 0 H GLU A 92 -1.220 -4.361 6.669 1.00 0.00 H new ATOM 0 HA GLU A 92 1.086 -5.771 7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.167 -7.086 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.233 -7.249 5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.031 -8.853 6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.176 -7.688 8.194 1.00 0.00 H new ATOM 455 N GLN A 93 2.368 -5.239 5.649 1.00 0.00 N ATOM 456 CA GLN A 93 3.126 -4.599 4.588 1.00 0.00 C ATOM 457 C GLN A 93 4.066 -5.574 3.898 1.00 0.00 C ATOM 458 O GLN A 93 5.177 -5.215 3.508 1.00 0.00 O ATOM 459 CB GLN A 93 3.907 -3.420 5.155 1.00 0.00 C ATOM 460 CG GLN A 93 4.268 -3.606 6.601 1.00 0.00 C ATOM 461 CD GLN A 93 4.963 -2.399 7.201 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.334 -1.567 7.854 1.00 0.00 O ATOM 463 NE2 GLN A 93 6.269 -2.299 6.982 1.00 0.00 N ATOM 0 H GLN A 93 2.900 -5.898 6.217 1.00 0.00 H new ATOM 0 HA GLN A 93 2.421 -4.242 3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.818 -3.279 4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.315 -2.511 5.046 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.363 -3.817 7.171 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.916 -4.477 6.698 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.750 -3.012 6.435 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.791 -1.509 7.361 1.00 0.00 H new ATOM 472 N SER A 94 3.609 -6.807 3.734 1.00 0.00 N ATOM 473 CA SER A 94 4.405 -7.827 3.074 1.00 0.00 C ATOM 474 C SER A 94 4.240 -7.730 1.565 1.00 0.00 C ATOM 475 O SER A 94 3.122 -7.654 1.056 1.00 0.00 O ATOM 476 CB SER A 94 4.004 -9.217 3.572 1.00 0.00 C ATOM 477 OG SER A 94 3.717 -10.096 2.496 1.00 0.00 O ATOM 0 H SER A 94 2.692 -7.123 4.049 1.00 0.00 H new ATOM 0 HA SER A 94 5.455 -7.664 3.317 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.809 -9.633 4.177 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.130 -9.134 4.218 1.00 0.00 H new ATOM 0 HG SER A 94 3.466 -10.975 2.850 1.00 0.00 H new ATOM 483 N GLY A 95 5.358 -7.732 0.855 1.00 0.00 N ATOM 484 CA GLY A 95 5.310 -7.642 -0.592 1.00 0.00 C ATOM 485 C GLY A 95 4.984 -6.257 -1.086 1.00 0.00 C ATOM 486 O GLY A 95 4.545 -5.394 -0.326 1.00 0.00 O ATOM 0 H GLY A 95 6.296 -7.794 1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.272 -7.951 -1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.564 -8.341 -0.969 1.00 0.00 H new ATOM 490 N GLU A 96 5.199 -6.057 -2.377 1.00 0.00 N ATOM 491 CA GLU A 96 4.935 -4.786 -3.028 1.00 0.00 C ATOM 492 C GLU A 96 3.552 -4.236 -2.654 1.00 0.00 C ATOM 493 O GLU A 96 3.297 -3.041 -2.790 1.00 0.00 O ATOM 494 CB GLU A 96 5.055 -4.968 -4.535 1.00 0.00 C ATOM 495 CG GLU A 96 4.044 -4.169 -5.300 1.00 0.00 C ATOM 496 CD GLU A 96 4.254 -4.220 -6.802 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.424 -4.222 -7.238 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.247 -4.259 -7.540 1.00 0.00 O ATOM 0 H GLU A 96 5.563 -6.775 -3.004 1.00 0.00 H new ATOM 0 HA GLU A 96 5.669 -4.056 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.056 -4.677 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.937 -6.024 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.046 -4.539 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.085 -3.131 -4.969 1.00 0.00 H new ATOM 505 N TRP A 97 2.660 -5.107 -2.196 1.00 0.00 N ATOM 506 CA TRP A 97 1.318 -4.688 -1.816 1.00 0.00 C ATOM 507 C TRP A 97 1.128 -4.778 -0.303 1.00 0.00 C ATOM 508 O TRP A 97 1.271 -5.849 0.287 1.00 0.00 O ATOM 509 CB TRP A 97 0.283 -5.547 -2.536 1.00 0.00 C ATOM 510 CG TRP A 97 0.137 -5.186 -3.983 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.873 -5.668 -5.027 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.791 -4.253 -4.542 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.460 -5.087 -6.202 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.561 -4.215 -5.930 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.796 -3.447 -4.004 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.298 -3.398 -6.784 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.525 -2.638 -4.850 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.275 -2.617 -6.227 1.00 0.00 C ATOM 0 H TRP A 97 2.842 -6.104 -2.079 1.00 0.00 H new ATOM 0 HA TRP A 97 1.182 -3.647 -2.111 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.568 -6.596 -2.454 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.681 -5.439 -2.040 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.664 -6.399 -4.942 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.850 -5.274 -7.126 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.999 -3.457 -2.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.106 -3.381 -7.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.303 -2.009 -4.443 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.864 -1.972 -6.862 1.00 0.00 H new ATOM 529 N TRP A 98 0.821 -3.642 0.321 1.00 0.00 N ATOM 530 CA TRP A 98 0.630 -3.589 1.766 1.00 0.00 C ATOM 531 C TRP A 98 -0.841 -3.534 2.147 1.00 0.00 C ATOM 532 O TRP A 98 -1.642 -2.862 1.498 1.00 0.00 O ATOM 533 CB TRP A 98 1.335 -2.369 2.346 1.00 0.00 C ATOM 534 CG TRP A 98 2.827 -2.447 2.264 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.571 -3.466 1.749 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.750 -1.465 2.721 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.910 -3.176 1.862 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.045 -1.945 2.455 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.601 -0.224 3.330 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.188 -1.218 2.780 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.731 0.501 3.654 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.012 0.003 3.377 1.00 0.00 C ATOM 0 H TRP A 98 0.700 -2.747 -0.153 1.00 0.00 H new ATOM 0 HA TRP A 98 1.057 -4.504 2.177 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.996 -1.478 1.818 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.042 -2.252 3.389 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.168 -4.369 1.316 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.676 -3.776 1.556 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.618 0.167 3.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.175 -1.602 2.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.626 1.466 4.128 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.877 0.593 3.639 1.00 0.00 H new ATOM 553 N LYS A 99 -1.180 -4.220 3.231 1.00 0.00 N ATOM 554 CA LYS A 99 -2.541 -4.229 3.739 1.00 0.00 C ATOM 555 C LYS A 99 -2.738 -3.046 4.676 1.00 0.00 C ATOM 556 O LYS A 99 -2.112 -2.976 5.732 1.00 0.00 O ATOM 557 CB LYS A 99 -2.823 -5.537 4.485 1.00 0.00 C ATOM 558 CG LYS A 99 -4.190 -5.585 5.151 1.00 0.00 C ATOM 559 CD LYS A 99 -5.237 -4.893 4.312 1.00 0.00 C ATOM 560 CE LYS A 99 -6.640 -5.319 4.704 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.353 -5.996 3.585 1.00 0.00 N ATOM 0 H LYS A 99 -0.525 -4.780 3.777 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.234 -4.151 2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.742 -6.368 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.055 -5.684 5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.480 -6.623 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.136 -5.111 6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.139 -3.813 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.068 -5.120 3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.588 -5.992 5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.209 -4.445 5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.285 -5.554 3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.796 -5.904 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.477 -7.003 3.812 1.00 0.00 H new ATOM 575 N ALA A 100 -3.595 -2.110 4.288 1.00 0.00 N ATOM 576 CA ALA A 100 -3.842 -0.934 5.111 1.00 0.00 C ATOM 577 C ALA A 100 -5.298 -0.828 5.510 1.00 0.00 C ATOM 578 O ALA A 100 -6.194 -1.110 4.717 1.00 0.00 O ATOM 579 CB ALA A 100 -3.423 0.333 4.382 1.00 0.00 C ATOM 0 H ALA A 100 -4.126 -2.141 3.418 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.243 -1.045 6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.617 1.198 5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.359 0.284 4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.992 0.426 3.457 1.00 0.00 H new ATOM 585 N GLN A 101 -5.528 -0.376 6.733 1.00 0.00 N ATOM 586 CA GLN A 101 -6.875 -0.183 7.216 1.00 0.00 C ATOM 587 C GLN A 101 -7.147 1.302 7.283 1.00 0.00 C ATOM 588 O GLN A 101 -6.574 2.012 8.108 1.00 0.00 O ATOM 589 CB GLN A 101 -7.082 -0.825 8.586 1.00 0.00 C ATOM 590 CG GLN A 101 -8.414 -0.480 9.212 1.00 0.00 C ATOM 591 CD GLN A 101 -8.468 -0.785 10.695 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.927 -1.850 11.106 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.996 0.154 11.507 1.00 0.00 N ATOM 0 H GLN A 101 -4.797 -0.138 7.404 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.572 -0.667 6.531 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.004 -1.908 8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.281 -0.507 9.254 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.619 0.579 9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.203 -1.035 8.704 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.625 1.022 11.121 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.005 0.007 12.516 1.00 0.00 H new ATOM 602 N SER A 102 -8.019 1.770 6.411 1.00 0.00 N ATOM 603 CA SER A 102 -8.361 3.171 6.367 1.00 0.00 C ATOM 604 C SER A 102 -8.711 3.666 7.761 1.00 0.00 C ATOM 605 O SER A 102 -8.888 2.869 8.682 1.00 0.00 O ATOM 606 CB SER A 102 -9.520 3.364 5.402 1.00 0.00 C ATOM 607 OG SER A 102 -9.108 4.054 4.234 1.00 0.00 O ATOM 0 H SER A 102 -8.503 1.194 5.722 1.00 0.00 H new ATOM 0 HA SER A 102 -7.510 3.755 6.015 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.933 2.393 5.127 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.317 3.921 5.894 1.00 0.00 H new ATOM 0 HG SER A 102 -9.873 4.162 3.631 1.00 0.00 H new ATOM 613 N LEU A 103 -8.778 4.972 7.929 1.00 0.00 N ATOM 614 CA LEU A 103 -9.082 5.535 9.239 1.00 0.00 C ATOM 615 C LEU A 103 -10.277 6.473 9.194 1.00 0.00 C ATOM 616 O LEU A 103 -10.958 6.672 10.199 1.00 0.00 O ATOM 617 CB LEU A 103 -7.854 6.232 9.792 1.00 0.00 C ATOM 618 CG LEU A 103 -6.777 5.261 10.273 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.731 5.073 9.195 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.138 5.726 11.571 1.00 0.00 C ATOM 0 H LEU A 103 -8.629 5.659 7.190 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.357 4.718 9.906 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.433 6.879 9.022 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.151 6.875 10.621 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.254 4.302 10.476 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.967 4.379 9.546 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.201 4.671 8.298 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.270 6.033 8.964 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.378 5.009 11.880 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.676 6.702 11.420 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.901 5.802 12.346 1.00 0.00 H new ATOM 632 N THR A 104 -10.551 7.023 8.023 1.00 0.00 N ATOM 633 CA THR A 104 -11.685 7.906 7.853 1.00 0.00 C ATOM 634 C THR A 104 -12.933 7.067 7.633 1.00 0.00 C ATOM 635 O THR A 104 -14.008 7.351 8.159 1.00 0.00 O ATOM 636 CB THR A 104 -11.449 8.819 6.659 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.086 9.193 6.571 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.267 10.073 6.727 1.00 0.00 C ATOM 0 H THR A 104 -10.001 6.871 7.177 1.00 0.00 H new ATOM 0 HA THR A 104 -11.814 8.522 8.743 1.00 0.00 H new ATOM 0 HB THR A 104 -11.748 8.247 5.781 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.739 8.959 5.685 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.061 10.689 5.852 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.326 9.816 6.749 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.009 10.627 7.630 1.00 0.00 H new ATOM 646 N THR A 105 -12.747 6.019 6.849 1.00 0.00 N ATOM 647 CA THR A 105 -13.793 5.072 6.512 1.00 0.00 C ATOM 648 C THR A 105 -13.522 3.748 7.211 1.00 0.00 C ATOM 649 O THR A 105 -14.427 3.033 7.640 1.00 0.00 O ATOM 650 CB THR A 105 -13.785 4.852 5.007 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.962 3.751 4.660 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.290 6.048 4.227 1.00 0.00 C ATOM 0 H THR A 105 -11.847 5.799 6.421 1.00 0.00 H new ATOM 0 HA THR A 105 -14.761 5.459 6.831 1.00 0.00 H new ATOM 0 HB THR A 105 -14.827 4.668 4.743 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.461 3.962 3.845 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.311 5.821 3.161 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.933 6.905 4.428 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.269 6.282 4.528 1.00 0.00 H new ATOM 660 N GLY A 106 -12.239 3.458 7.296 1.00 0.00 N ATOM 661 CA GLY A 106 -11.739 2.258 7.906 1.00 0.00 C ATOM 662 C GLY A 106 -11.785 1.058 6.989 1.00 0.00 C ATOM 663 O GLY A 106 -11.367 -0.035 7.370 1.00 0.00 O ATOM 0 H GLY A 106 -11.506 4.067 6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.710 2.423 8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.321 2.044 8.802 1.00 0.00 H new ATOM 667 N GLN A 107 -12.273 1.255 5.769 1.00 0.00 N ATOM 668 CA GLN A 107 -12.345 0.187 4.806 1.00 0.00 C ATOM 669 C GLN A 107 -11.008 -0.519 4.677 1.00 0.00 C ATOM 670 O GLN A 107 -9.985 0.099 4.385 1.00 0.00 O ATOM 671 CB GLN A 107 -12.800 0.746 3.481 1.00 0.00 C ATOM 672 CG GLN A 107 -14.303 0.810 3.394 1.00 0.00 C ATOM 673 CD GLN A 107 -14.852 2.207 3.594 1.00 0.00 C ATOM 674 OE1 GLN A 107 -15.499 2.493 4.601 1.00 0.00 O ATOM 675 NE2 GLN A 107 -14.596 3.086 2.633 1.00 0.00 N ATOM 0 H GLN A 107 -12.623 2.152 5.432 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.068 -0.556 5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.384 1.744 3.344 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.414 0.126 2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.621 0.438 2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.733 0.147 4.145 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.055 2.805 1.815 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.940 4.043 2.712 1.00 0.00 H new ATOM 684 N GLU A 108 -11.029 -1.815 4.923 1.00 0.00 N ATOM 685 CA GLU A 108 -9.817 -2.621 4.863 1.00 0.00 C ATOM 686 C GLU A 108 -9.574 -3.162 3.460 1.00 0.00 C ATOM 687 O GLU A 108 -10.512 -3.484 2.731 1.00 0.00 O ATOM 688 CB GLU A 108 -9.899 -3.771 5.864 1.00 0.00 C ATOM 689 CG GLU A 108 -10.033 -3.312 7.303 1.00 0.00 C ATOM 690 CD GLU A 108 -11.210 -3.953 8.014 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.257 -5.199 8.081 1.00 0.00 O ATOM 692 OE2 GLU A 108 -12.084 -3.207 8.504 1.00 0.00 O ATOM 0 H GLU A 108 -11.871 -2.336 5.167 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.976 -1.978 5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.751 -4.402 5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.006 -4.389 5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.116 -3.548 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.146 -2.228 7.325 1.00 0.00 H new ATOM 699 N GLY A 109 -8.301 -3.259 3.094 1.00 0.00 N ATOM 700 CA GLY A 109 -7.938 -3.762 1.784 1.00 0.00 C ATOM 701 C GLY A 109 -6.451 -3.638 1.516 1.00 0.00 C ATOM 702 O GLY A 109 -5.705 -3.114 2.343 1.00 0.00 O ATOM 0 H GLY A 109 -7.512 -2.997 3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.234 -4.808 1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.490 -3.214 1.020 1.00 0.00 H new ATOM 706 N PHE A 110 -6.021 -4.123 0.361 1.00 0.00 N ATOM 707 CA PHE A 110 -4.623 -4.075 -0.019 1.00 0.00 C ATOM 708 C PHE A 110 -4.310 -2.783 -0.764 1.00 0.00 C ATOM 709 O PHE A 110 -5.127 -2.290 -1.541 1.00 0.00 O ATOM 710 CB PHE A 110 -4.293 -5.282 -0.891 1.00 0.00 C ATOM 711 CG PHE A 110 -3.734 -6.442 -0.119 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.381 -6.913 1.013 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.565 -7.063 -0.526 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.869 -7.981 1.726 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.049 -8.131 0.183 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.701 -8.591 1.310 1.00 0.00 C ATOM 0 H PHE A 110 -6.629 -4.558 -0.333 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.010 -4.101 0.882 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.196 -5.603 -1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.575 -4.983 -1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.295 -6.440 1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.051 -6.709 -1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.381 -8.338 2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.136 -8.606 -0.144 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.299 -9.426 1.865 1.00 0.00 H new ATOM 726 N ILE A 111 -3.129 -2.231 -0.518 1.00 0.00 N ATOM 727 CA ILE A 111 -2.726 -0.990 -1.162 1.00 0.00 C ATOM 728 C ILE A 111 -1.286 -1.044 -1.662 1.00 0.00 C ATOM 729 O ILE A 111 -0.410 -1.636 -1.031 1.00 0.00 O ATOM 730 CB ILE A 111 -2.857 0.208 -0.200 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.954 -0.008 1.015 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.305 0.409 0.216 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.438 1.271 1.634 1.00 0.00 C ATOM 0 H ILE A 111 -2.436 -2.622 0.121 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.396 -0.862 -2.012 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.537 1.115 -0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.506 -0.568 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.105 -0.624 0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.374 1.259 0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.914 0.599 -0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.667 -0.487 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.806 1.032 2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.856 1.824 0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.279 1.881 1.964 1.00 0.00 H new ATOM 745 N PRO A 112 -1.030 -0.389 -2.798 1.00 0.00 N ATOM 746 CA PRO A 112 0.296 -0.311 -3.395 1.00 0.00 C ATOM 747 C PRO A 112 1.321 0.221 -2.393 1.00 0.00 C ATOM 748 O PRO A 112 1.225 1.364 -1.945 1.00 0.00 O ATOM 749 CB PRO A 112 0.122 0.669 -4.566 1.00 0.00 C ATOM 750 CG PRO A 112 -1.218 1.299 -4.373 1.00 0.00 C ATOM 751 CD PRO A 112 -2.027 0.343 -3.565 1.00 0.00 C ATOM 0 HA PRO A 112 0.666 -1.286 -3.712 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.911 1.421 -4.567 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.176 0.149 -5.522 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.125 2.257 -3.861 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.695 1.495 -5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.730 0.863 -2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.612 -0.323 -4.200 1.00 0.00 H new ATOM 759 N PHE A 113 2.284 -0.618 -2.026 1.00 0.00 N ATOM 760 CA PHE A 113 3.307 -0.236 -1.054 1.00 0.00 C ATOM 761 C PHE A 113 4.010 1.072 -1.433 1.00 0.00 C ATOM 762 O PHE A 113 4.573 1.748 -0.573 1.00 0.00 O ATOM 763 CB PHE A 113 4.330 -1.368 -0.886 1.00 0.00 C ATOM 764 CG PHE A 113 5.411 -1.387 -1.936 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.109 -1.163 -3.271 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.730 -1.626 -1.583 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.102 -1.178 -4.232 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.726 -1.643 -2.540 1.00 0.00 C ATOM 769 CZ PHE A 113 7.412 -1.419 -3.867 1.00 0.00 C ATOM 0 H PHE A 113 2.379 -1.568 -2.386 1.00 0.00 H new ATOM 0 HA PHE A 113 2.803 -0.064 -0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.795 -1.279 0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.804 -2.323 -0.905 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.086 -0.975 -3.563 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.982 -1.801 -0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.854 -1.001 -5.268 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.750 -1.831 -2.251 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.189 -1.432 -4.617 1.00 0.00 H new ATOM 779 N ASN A 114 3.981 1.422 -2.715 1.00 0.00 N ATOM 780 CA ASN A 114 4.621 2.646 -3.183 1.00 0.00 C ATOM 781 C ASN A 114 3.590 3.743 -3.430 1.00 0.00 C ATOM 782 O ASN A 114 3.729 4.542 -4.356 1.00 0.00 O ATOM 783 CB ASN A 114 5.406 2.370 -4.465 1.00 0.00 C ATOM 784 CG ASN A 114 4.577 1.656 -5.515 1.00 0.00 C ATOM 785 OD1 ASN A 114 3.504 1.127 -5.223 1.00 0.00 O ATOM 786 ND2 ASN A 114 5.070 1.638 -6.747 1.00 0.00 N ATOM 0 H ASN A 114 3.523 0.878 -3.446 1.00 0.00 H new ATOM 0 HA ASN A 114 5.306 2.989 -2.408 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.770 3.313 -4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.282 1.767 -4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.556 1.173 -7.495 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.963 2.089 -6.946 1.00 0.00 H new ATOM 793 N PHE A 115 2.551 3.765 -2.604 1.00 0.00 N ATOM 794 CA PHE A 115 1.484 4.750 -2.738 1.00 0.00 C ATOM 795 C PHE A 115 1.301 5.575 -1.468 1.00 0.00 C ATOM 796 O PHE A 115 0.532 6.536 -1.458 1.00 0.00 O ATOM 797 CB PHE A 115 0.176 4.033 -3.051 1.00 0.00 C ATOM 798 CG PHE A 115 -0.620 4.650 -4.163 1.00 0.00 C ATOM 799 CD1 PHE A 115 -1.339 5.814 -3.956 1.00 0.00 C ATOM 800 CD2 PHE A 115 -0.670 4.049 -5.410 1.00 0.00 C ATOM 801 CE1 PHE A 115 -2.089 6.371 -4.971 1.00 0.00 C ATOM 802 CE2 PHE A 115 -1.420 4.600 -6.428 1.00 0.00 C ATOM 803 CZ PHE A 115 -2.132 5.762 -6.209 1.00 0.00 C ATOM 0 H PHE A 115 2.424 3.110 -1.832 1.00 0.00 H new ATOM 0 HA PHE A 115 1.761 5.429 -3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.397 2.998 -3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.437 4.012 -2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.313 6.292 -2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -0.116 3.139 -5.587 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -2.642 7.282 -4.797 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -1.450 4.122 -7.396 1.00 0.00 H new ATOM 0 HZ PHE A 115 -2.721 6.194 -7.004 1.00 0.00 H new ATOM 813 N VAL A 116 1.970 5.188 -0.385 1.00 0.00 N ATOM 814 CA VAL A 116 1.816 5.901 0.876 1.00 0.00 C ATOM 815 C VAL A 116 3.141 6.201 1.565 1.00 0.00 C ATOM 816 O VAL A 116 4.126 5.480 1.405 1.00 0.00 O ATOM 817 CB VAL A 116 0.928 5.105 1.847 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.516 5.115 1.377 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.439 3.677 2.003 1.00 0.00 C ATOM 0 H VAL A 116 2.614 4.397 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 116 1.349 6.852 0.620 1.00 0.00 H new ATOM 0 HB VAL A 116 0.973 5.586 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.130 4.547 2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.876 6.143 1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.580 4.662 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.795 3.134 2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.431 3.180 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.457 3.695 2.393 1.00 0.00 H new ATOM 829 N ALA A 117 3.131 7.270 2.358 1.00 0.00 N ATOM 830 CA ALA A 117 4.294 7.695 3.118 1.00 0.00 C ATOM 831 C ALA A 117 3.862 8.104 4.524 1.00 0.00 C ATOM 832 O ALA A 117 2.786 8.671 4.702 1.00 0.00 O ATOM 833 CB ALA A 117 5.001 8.846 2.414 1.00 0.00 C ATOM 0 H ALA A 117 2.312 7.864 2.489 1.00 0.00 H new ATOM 0 HA ALA A 117 4.997 6.865 3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.870 9.151 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.324 8.524 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.316 9.688 2.316 1.00 0.00 H new ATOM 839 N LYS A 118 4.692 7.801 5.518 1.00 0.00 N ATOM 840 CA LYS A 118 4.380 8.123 6.912 1.00 0.00 C ATOM 841 C LYS A 118 3.715 9.491 7.049 1.00 0.00 C ATOM 842 O LYS A 118 4.104 10.450 6.382 1.00 0.00 O ATOM 843 CB LYS A 118 5.657 8.090 7.755 1.00 0.00 C ATOM 844 CG LYS A 118 6.320 6.724 7.802 1.00 0.00 C ATOM 845 CD LYS A 118 5.318 5.637 8.147 1.00 0.00 C ATOM 846 CE LYS A 118 5.982 4.272 8.235 1.00 0.00 C ATOM 847 NZ LYS A 118 5.320 3.393 9.239 1.00 0.00 N ATOM 0 H LYS A 118 5.588 7.332 5.386 1.00 0.00 H new ATOM 0 HA LYS A 118 3.677 7.371 7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.366 8.815 7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.420 8.404 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.778 6.506 6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.121 6.731 8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.839 5.871 9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.532 5.612 7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.953 3.791 7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.032 4.396 8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.804 2.473 9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.370 3.839 10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.324 3.253 8.975 1.00 0.00 H new ATOM 861 N ALA A 119 2.711 9.570 7.922 1.00 0.00 N ATOM 862 CA ALA A 119 1.991 10.825 8.158 1.00 0.00 C ATOM 863 C ALA A 119 2.874 11.840 8.880 1.00 0.00 C ATOM 864 O ALA A 119 2.495 12.379 9.920 1.00 0.00 O ATOM 865 CB ALA A 119 0.714 10.582 8.962 1.00 0.00 C ATOM 0 H ALA A 119 2.377 8.782 8.477 1.00 0.00 H new ATOM 0 HA ALA A 119 1.719 11.232 7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.199 11.529 9.123 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.062 9.903 8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 119 0.969 10.140 9.925 1.00 0.00 H new ATOM 871 N ASN A 120 4.053 12.099 8.325 1.00 0.00 N ATOM 872 CA ASN A 120 4.984 13.050 8.920 1.00 0.00 C ATOM 873 C ASN A 120 5.570 13.975 7.857 1.00 0.00 C ATOM 874 O ASN A 120 5.099 15.126 7.751 1.00 0.00 O ATOM 875 CB ASN A 120 6.109 12.309 9.645 1.00 0.00 C ATOM 876 CG ASN A 120 5.807 12.097 11.116 1.00 0.00 C ATOM 877 OD1 ASN A 120 6.454 12.682 11.985 1.00 0.00 O ATOM 878 ND2 ASN A 120 4.819 11.258 11.403 1.00 0.00 N ATOM 879 OXT ASN A 120 6.498 13.540 7.142 1.00 0.00 O ATOM 0 H ASN A 120 4.386 11.664 7.465 1.00 0.00 H new ATOM 0 HA ASN A 120 4.435 13.656 9.641 1.00 0.00 H new ATOM 0 HB2 ASN A 120 6.271 11.343 9.167 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.036 12.874 9.545 1.00 0.00 H new ATOM 0 HD21 ASN A 120 4.570 11.077 12.375 1.00 0.00 H new ATOM 0 HD22 ASN A 120 4.309 10.795 10.651 1.00 0.00 H new