USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 105 THR OG1 : rot -140:sc= -1.67! USER MOD Set 1.2: A 107 GLN : amide:sc= -3.94! C(o=-5.6!,f=-7.2!) USER MOD Single : A 70 HIS : no HE2:sc= -6.07! C(o=-6.1!,f=-6.7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0964 USER MOD Single : A 72 TYR OH : rot 65:sc= -1.09! 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=-0.0084) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc=-0.00165 K(o=-0.0016,f=-2.2!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0341 USER MOD Single : A 99 LYS NZ :NH3+ -131:sc= -2.44 (180deg=-6.81!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.144 USER MOD Single : A 104 THR OG1 : rot 128:sc= 0.958 USER MOD Single : A 114 ASN : amide:sc= -1.32 K(o=-1.3,f=-8.3!) USER MOD Single : A 118 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.035) USER MOD Single : A 120 ASN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 65 1.093 3.596 10.672 1.00 0.00 N ATOM 16 CA LEU A 65 0.216 4.384 9.822 1.00 0.00 C ATOM 17 C LEU A 65 0.989 5.194 8.800 1.00 0.00 C ATOM 18 O LEU A 65 2.071 5.717 9.069 1.00 0.00 O ATOM 19 CB LEU A 65 -0.668 5.316 10.644 1.00 0.00 C ATOM 20 CG LEU A 65 -1.397 6.380 9.839 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.277 5.727 8.789 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.221 7.278 10.748 1.00 0.00 C ATOM 0 HA LEU A 65 -0.415 3.671 9.291 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.405 4.717 11.179 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.052 5.809 11.396 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.656 7.002 9.337 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.795 6.498 8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.660 5.130 8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.009 5.083 9.277 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.733 8.031 10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.957 6.678 11.282 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.564 7.770 11.465 1.00 0.00 H new ATOM 34 N VAL A 66 0.405 5.277 7.625 1.00 0.00 N ATOM 35 CA VAL A 66 0.989 6.003 6.514 1.00 0.00 C ATOM 36 C VAL A 66 0.018 7.016 5.922 1.00 0.00 C ATOM 37 O VAL A 66 -1.100 7.187 6.402 1.00 0.00 O ATOM 38 CB VAL A 66 1.407 5.042 5.405 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.719 4.360 5.751 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.315 4.016 5.137 1.00 0.00 C ATOM 0 H VAL A 66 -0.492 4.842 7.410 1.00 0.00 H new ATOM 0 HA VAL A 66 1.857 6.530 6.910 1.00 0.00 H new ATOM 0 HB VAL A 66 1.556 5.620 4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.998 3.679 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.498 5.112 5.877 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.604 3.798 6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.636 3.342 4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.124 3.443 6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.598 4.528 4.832 1.00 0.00 H new ATOM 50 N ILE A 67 0.459 7.675 4.861 1.00 0.00 N ATOM 51 CA ILE A 67 -0.356 8.660 4.179 1.00 0.00 C ATOM 52 C ILE A 67 -0.104 8.618 2.676 1.00 0.00 C ATOM 53 O ILE A 67 1.031 8.734 2.217 1.00 0.00 O ATOM 54 CB ILE A 67 -0.120 10.084 4.741 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.356 10.509 5.520 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.187 11.088 3.637 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.373 11.960 5.946 1.00 0.00 C ATOM 0 H ILE A 67 1.385 7.541 4.454 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.401 8.408 4.360 1.00 0.00 H new ATOM 0 HB ILE A 67 0.750 10.062 5.397 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.237 10.315 4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.440 9.884 6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.346 12.073 4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.086 10.779 3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.651 11.131 2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.292 12.168 6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.515 12.161 6.587 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.324 12.599 5.064 1.00 0.00 H new ATOM 69 N ALA A 68 -1.179 8.434 1.922 1.00 0.00 N ATOM 70 CA ALA A 68 -1.094 8.355 0.467 1.00 0.00 C ATOM 71 C ALA A 68 -0.493 9.620 -0.134 1.00 0.00 C ATOM 72 O ALA A 68 -0.609 10.708 0.429 1.00 0.00 O ATOM 73 CB ALA A 68 -2.467 8.084 -0.130 1.00 0.00 C ATOM 0 H ALA A 68 -2.124 8.336 2.294 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.430 7.527 0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.387 8.028 -1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.851 7.139 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.148 8.890 0.142 1.00 0.00 H new ATOM 79 N LEU A 69 0.146 9.461 -1.287 1.00 0.00 N ATOM 80 CA LEU A 69 0.771 10.577 -1.988 1.00 0.00 C ATOM 81 C LEU A 69 0.169 10.754 -3.382 1.00 0.00 C ATOM 82 O LEU A 69 0.665 11.544 -4.184 1.00 0.00 O ATOM 83 CB LEU A 69 2.275 10.334 -2.109 1.00 0.00 C ATOM 84 CG LEU A 69 3.048 10.406 -0.790 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.522 10.072 -0.997 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.902 11.788 -0.174 1.00 0.00 C ATOM 0 H LEU A 69 0.245 8.563 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 69 0.589 11.486 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.435 9.352 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.692 11.068 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 69 2.628 9.666 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.046 10.131 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.613 9.063 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.961 10.783 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.456 11.829 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.297 12.536 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.848 11.992 0.018 1.00 0.00 H new ATOM 98 N HIS A 70 -0.892 10.003 -3.669 1.00 0.00 N ATOM 99 CA HIS A 70 -1.543 10.067 -4.972 1.00 0.00 C ATOM 100 C HIS A 70 -2.917 9.405 -4.924 1.00 0.00 C ATOM 101 O HIS A 70 -3.107 8.401 -4.237 1.00 0.00 O ATOM 102 CB HIS A 70 -0.677 9.386 -6.049 1.00 0.00 C ATOM 103 CG HIS A 70 0.559 8.708 -5.523 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.757 8.700 -6.203 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.782 8.021 -4.375 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.661 8.043 -5.498 1.00 0.00 C ATOM 107 NE2 HIS A 70 2.096 7.622 -4.384 1.00 0.00 N ATOM 0 H HIS A 70 -1.318 9.344 -3.017 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.667 11.119 -5.231 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.285 8.648 -6.572 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.380 10.134 -6.784 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.921 9.134 -7.111 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.059 7.824 -3.597 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.689 7.879 -5.786 1.00 0.00 H new ATOM 116 N SER A 71 -3.872 9.967 -5.662 1.00 0.00 N ATOM 117 CA SER A 71 -5.224 9.416 -5.704 1.00 0.00 C ATOM 118 C SER A 71 -5.189 7.963 -6.159 1.00 0.00 C ATOM 119 O SER A 71 -4.647 7.649 -7.218 1.00 0.00 O ATOM 120 CB SER A 71 -6.109 10.234 -6.643 1.00 0.00 C ATOM 121 OG SER A 71 -5.623 11.558 -6.781 1.00 0.00 O ATOM 0 H SER A 71 -3.736 10.799 -6.236 1.00 0.00 H new ATOM 0 HA SER A 71 -5.644 9.463 -4.699 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.147 9.754 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.129 10.256 -6.259 1.00 0.00 H new ATOM 0 HG SER A 71 -6.207 12.059 -7.388 1.00 0.00 H new ATOM 127 N TYR A 72 -5.750 7.077 -5.346 1.00 0.00 N ATOM 128 CA TYR A 72 -5.754 5.651 -5.673 1.00 0.00 C ATOM 129 C TYR A 72 -7.108 5.160 -6.170 1.00 0.00 C ATOM 130 O TYR A 72 -8.160 5.628 -5.734 1.00 0.00 O ATOM 131 CB TYR A 72 -5.342 4.814 -4.463 1.00 0.00 C ATOM 132 CG TYR A 72 -5.059 3.369 -4.808 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.243 3.036 -5.883 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.617 2.339 -4.066 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.994 1.717 -6.206 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.369 1.018 -4.380 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.559 0.712 -5.450 1.00 0.00 C ATOM 138 OH TYR A 72 -4.318 -0.602 -5.771 1.00 0.00 O ATOM 0 H TYR A 72 -6.204 7.314 -4.464 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.032 5.528 -6.480 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.453 5.254 -4.011 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.134 4.854 -3.715 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.797 3.821 -6.475 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.257 2.574 -3.228 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.360 1.474 -7.046 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.808 0.228 -3.789 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.367 -0.801 -5.641 1.00 0.00 H new ATOM 148 N GLU A 73 -7.056 4.188 -7.077 1.00 0.00 N ATOM 149 CA GLU A 73 -8.243 3.580 -7.643 1.00 0.00 C ATOM 150 C GLU A 73 -8.050 2.067 -7.754 1.00 0.00 C ATOM 151 O GLU A 73 -7.486 1.570 -8.730 1.00 0.00 O ATOM 152 CB GLU A 73 -8.526 4.176 -9.005 1.00 0.00 C ATOM 153 CG GLU A 73 -9.835 4.936 -9.068 1.00 0.00 C ATOM 154 CD GLU A 73 -9.941 5.819 -10.296 1.00 0.00 C ATOM 155 OE1 GLU A 73 -8.888 6.266 -10.797 1.00 0.00 O ATOM 156 OE2 GLU A 73 -11.076 6.062 -10.756 1.00 0.00 O ATOM 0 H GLU A 73 -6.183 3.803 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.094 3.777 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.711 4.847 -9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.542 3.378 -9.747 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.663 4.227 -9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.937 5.551 -8.174 1.00 0.00 H new ATOM 163 N PRO A 74 -8.512 1.325 -6.739 1.00 0.00 N ATOM 164 CA PRO A 74 -8.405 -0.129 -6.666 1.00 0.00 C ATOM 165 C PRO A 74 -8.554 -0.817 -8.019 1.00 0.00 C ATOM 166 O PRO A 74 -9.483 -0.538 -8.776 1.00 0.00 O ATOM 167 CB PRO A 74 -9.559 -0.521 -5.725 1.00 0.00 C ATOM 168 CG PRO A 74 -10.165 0.765 -5.243 1.00 0.00 C ATOM 169 CD PRO A 74 -9.177 1.849 -5.562 1.00 0.00 C ATOM 0 HA PRO A 74 -7.420 -0.440 -6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.298 -1.127 -6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.193 -1.116 -4.888 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.119 0.953 -5.736 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.362 0.723 -4.172 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.669 2.801 -5.763 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.479 2.017 -4.742 1.00 0.00 H new ATOM 177 N SER A 75 -7.624 -1.724 -8.310 1.00 0.00 N ATOM 178 CA SER A 75 -7.636 -2.465 -9.565 1.00 0.00 C ATOM 179 C SER A 75 -7.493 -3.962 -9.309 1.00 0.00 C ATOM 180 O SER A 75 -8.194 -4.775 -9.914 1.00 0.00 O ATOM 181 CB SER A 75 -6.509 -1.981 -10.479 1.00 0.00 C ATOM 182 OG SER A 75 -6.499 -0.568 -10.573 1.00 0.00 O ATOM 0 H SER A 75 -6.850 -1.963 -7.690 1.00 0.00 H new ATOM 0 HA SER A 75 -8.592 -2.287 -10.057 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.550 -2.330 -10.095 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.631 -2.414 -11.472 1.00 0.00 H new ATOM 0 HG SER A 75 -5.768 -0.284 -11.161 1.00 0.00 H new ATOM 188 N HIS A 76 -6.583 -4.323 -8.407 1.00 0.00 N ATOM 189 CA HIS A 76 -6.354 -5.722 -8.070 1.00 0.00 C ATOM 190 C HIS A 76 -7.416 -6.226 -7.097 1.00 0.00 C ATOM 191 O HIS A 76 -8.033 -5.442 -6.377 1.00 0.00 O ATOM 192 CB HIS A 76 -4.960 -5.908 -7.464 1.00 0.00 C ATOM 193 CG HIS A 76 -3.906 -6.235 -8.477 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.108 -7.357 -8.399 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.521 -5.579 -9.598 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.277 -7.377 -9.426 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.507 -6.311 -10.169 1.00 0.00 N ATOM 0 H HIS A 76 -5.993 -3.665 -7.898 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.420 -6.304 -8.989 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.677 -4.996 -6.938 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.999 -6.705 -6.722 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.933 -4.654 -9.973 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.535 -8.137 -9.624 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.013 -6.069 -11.028 1.00 0.00 H new ATOM 206 N ASP A 77 -7.627 -7.538 -7.084 1.00 0.00 N ATOM 207 CA ASP A 77 -8.618 -8.145 -6.203 1.00 0.00 C ATOM 208 C ASP A 77 -8.227 -7.972 -4.738 1.00 0.00 C ATOM 209 O ASP A 77 -7.095 -8.260 -4.349 1.00 0.00 O ATOM 210 CB ASP A 77 -8.777 -9.632 -6.527 1.00 0.00 C ATOM 211 CG ASP A 77 -10.140 -10.167 -6.135 1.00 0.00 C ATOM 212 OD1 ASP A 77 -11.121 -9.874 -6.851 1.00 0.00 O ATOM 213 OD2 ASP A 77 -10.228 -10.879 -5.113 1.00 0.00 O ATOM 0 H ASP A 77 -7.125 -8.202 -7.674 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.569 -7.639 -6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.622 -9.787 -7.595 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.004 -10.199 -6.008 1.00 0.00 H new ATOM 218 N GLY A 78 -9.173 -7.502 -3.930 1.00 0.00 N ATOM 219 CA GLY A 78 -8.909 -7.303 -2.517 1.00 0.00 C ATOM 220 C GLY A 78 -8.092 -6.056 -2.246 1.00 0.00 C ATOM 221 O GLY A 78 -7.328 -6.009 -1.283 1.00 0.00 O ATOM 0 H GLY A 78 -10.117 -7.256 -4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.855 -7.236 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.380 -8.172 -2.124 1.00 0.00 H new ATOM 225 N ASP A 79 -8.254 -5.041 -3.090 1.00 0.00 N ATOM 226 CA ASP A 79 -7.521 -3.793 -2.925 1.00 0.00 C ATOM 227 C ASP A 79 -8.367 -2.756 -2.199 1.00 0.00 C ATOM 228 O ASP A 79 -9.596 -2.825 -2.200 1.00 0.00 O ATOM 229 CB ASP A 79 -7.082 -3.244 -4.282 1.00 0.00 C ATOM 230 CG ASP A 79 -5.996 -4.083 -4.922 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.083 -5.327 -4.847 1.00 0.00 O ATOM 232 OD2 ASP A 79 -5.057 -3.495 -5.497 1.00 0.00 O ATOM 0 H ASP A 79 -8.884 -5.059 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.636 -4.003 -2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.943 -3.200 -4.949 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.722 -2.223 -4.158 1.00 0.00 H new ATOM 237 N LEU A 80 -7.695 -1.791 -1.587 1.00 0.00 N ATOM 238 CA LEU A 80 -8.368 -0.726 -0.859 1.00 0.00 C ATOM 239 C LEU A 80 -8.129 0.611 -1.553 1.00 0.00 C ATOM 240 O LEU A 80 -6.993 0.952 -1.886 1.00 0.00 O ATOM 241 CB LEU A 80 -7.868 -0.690 0.595 1.00 0.00 C ATOM 242 CG LEU A 80 -7.795 0.691 1.254 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.166 1.122 1.758 1.00 0.00 C ATOM 244 CD2 LEU A 80 -6.784 0.679 2.391 1.00 0.00 C ATOM 0 H LEU A 80 -6.677 -1.724 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.441 -0.917 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.521 -1.322 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.874 -1.137 0.626 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.468 1.414 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.090 2.105 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.863 1.168 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.527 0.401 2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.742 1.666 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.085 -0.056 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.800 0.418 2.000 1.00 0.00 H new ATOM 256 N GLY A 81 -9.200 1.362 -1.771 1.00 0.00 N ATOM 257 CA GLY A 81 -9.074 2.649 -2.426 1.00 0.00 C ATOM 258 C GLY A 81 -8.974 3.792 -1.441 1.00 0.00 C ATOM 259 O GLY A 81 -9.630 3.789 -0.400 1.00 0.00 O ATOM 0 H GLY A 81 -10.151 1.104 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.189 2.644 -3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.934 2.808 -3.076 1.00 0.00 H new ATOM 263 N PHE A 82 -8.147 4.771 -1.776 1.00 0.00 N ATOM 264 CA PHE A 82 -7.950 5.934 -0.925 1.00 0.00 C ATOM 265 C PHE A 82 -7.653 7.164 -1.763 1.00 0.00 C ATOM 266 O PHE A 82 -7.553 7.086 -2.988 1.00 0.00 O ATOM 267 CB PHE A 82 -6.806 5.696 0.063 1.00 0.00 C ATOM 268 CG PHE A 82 -5.661 4.899 -0.507 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.809 3.551 -0.784 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.437 5.500 -0.762 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.761 2.818 -1.306 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.383 4.768 -1.284 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.548 3.426 -1.556 1.00 0.00 C ATOM 0 H PHE A 82 -7.599 4.782 -2.636 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.870 6.099 -0.365 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.429 6.660 0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.197 5.177 0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.755 3.067 -0.590 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.304 6.551 -0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.891 1.767 -1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.435 5.247 -1.477 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.729 2.852 -1.964 1.00 0.00 H new ATOM 283 N GLU A 83 -7.513 8.300 -1.098 1.00 0.00 N ATOM 284 CA GLU A 83 -7.228 9.546 -1.784 1.00 0.00 C ATOM 285 C GLU A 83 -5.793 9.986 -1.527 1.00 0.00 C ATOM 286 O GLU A 83 -5.067 9.357 -0.758 1.00 0.00 O ATOM 287 CB GLU A 83 -8.200 10.625 -1.313 1.00 0.00 C ATOM 288 CG GLU A 83 -9.268 10.967 -2.335 1.00 0.00 C ATOM 289 CD GLU A 83 -9.447 12.461 -2.516 1.00 0.00 C ATOM 290 OE1 GLU A 83 -8.434 13.159 -2.733 1.00 0.00 O ATOM 291 OE2 GLU A 83 -10.601 12.935 -2.441 1.00 0.00 O ATOM 0 H GLU A 83 -7.592 8.383 -0.084 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.351 9.392 -2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.682 10.292 -0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.639 11.527 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.006 10.518 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.216 10.526 -2.025 1.00 0.00 H new ATOM 298 N LYS A 84 -5.389 11.079 -2.162 1.00 0.00 N ATOM 299 CA LYS A 84 -4.047 11.605 -1.975 1.00 0.00 C ATOM 300 C LYS A 84 -3.965 12.273 -0.606 1.00 0.00 C ATOM 301 O LYS A 84 -4.872 13.004 -0.208 1.00 0.00 O ATOM 302 CB LYS A 84 -3.696 12.577 -3.103 1.00 0.00 C ATOM 303 CG LYS A 84 -2.566 13.544 -2.771 1.00 0.00 C ATOM 304 CD LYS A 84 -2.673 14.819 -3.585 1.00 0.00 C ATOM 305 CE LYS A 84 -1.319 15.488 -3.754 1.00 0.00 C ATOM 306 NZ LYS A 84 -1.424 16.974 -3.708 1.00 0.00 N ATOM 0 H LYS A 84 -5.970 11.615 -2.807 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.318 10.795 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.419 12.003 -3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.586 13.152 -3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.592 13.785 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.606 13.065 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.092 14.592 -4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.362 15.508 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.645 15.147 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.880 15.184 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.479 17.393 -3.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.047 17.302 -4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.819 17.266 -2.791 1.00 0.00 H new ATOM 320 N GLY A 85 -2.896 11.986 0.126 1.00 0.00 N ATOM 321 CA GLY A 85 -2.749 12.536 1.464 1.00 0.00 C ATOM 322 C GLY A 85 -3.595 11.782 2.473 1.00 0.00 C ATOM 323 O GLY A 85 -3.462 11.987 3.679 1.00 0.00 O ATOM 0 H GLY A 85 -2.130 11.385 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.702 12.494 1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.037 13.587 1.460 1.00 0.00 H new ATOM 327 N GLU A 86 -4.453 10.889 1.976 1.00 0.00 N ATOM 328 CA GLU A 86 -5.304 10.083 2.834 1.00 0.00 C ATOM 329 C GLU A 86 -4.448 9.271 3.782 1.00 0.00 C ATOM 330 O GLU A 86 -3.244 9.138 3.578 1.00 0.00 O ATOM 331 CB GLU A 86 -6.158 9.141 1.981 1.00 0.00 C ATOM 332 CG GLU A 86 -7.585 8.915 2.467 1.00 0.00 C ATOM 333 CD GLU A 86 -7.976 9.757 3.670 1.00 0.00 C ATOM 334 OE1 GLU A 86 -8.198 10.973 3.497 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.059 9.197 4.783 1.00 0.00 O ATOM 0 H GLU A 86 -4.572 10.710 0.979 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.957 10.740 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.198 9.537 0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.656 8.175 1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.273 9.129 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.708 7.862 2.720 1.00 0.00 H new ATOM 342 N GLN A 87 -5.069 8.719 4.807 1.00 0.00 N ATOM 343 CA GLN A 87 -4.340 7.914 5.771 1.00 0.00 C ATOM 344 C GLN A 87 -4.914 6.515 5.859 1.00 0.00 C ATOM 345 O GLN A 87 -6.117 6.302 5.706 1.00 0.00 O ATOM 346 CB GLN A 87 -4.342 8.570 7.150 1.00 0.00 C ATOM 347 CG GLN A 87 -4.105 10.067 7.103 1.00 0.00 C ATOM 348 CD GLN A 87 -4.950 10.826 8.107 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.925 11.485 7.744 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.581 10.737 9.379 1.00 0.00 N ATOM 0 H GLN A 87 -6.068 8.811 4.994 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.309 7.844 5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.298 8.376 7.636 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.572 8.106 7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.051 10.270 7.294 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.323 10.434 6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.766 10.180 9.636 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.112 11.226 10.100 1.00 0.00 H new ATOM 359 N LEU A 88 -4.030 5.570 6.107 1.00 0.00 N ATOM 360 CA LEU A 88 -4.403 4.169 6.223 1.00 0.00 C ATOM 361 C LEU A 88 -3.511 3.480 7.230 1.00 0.00 C ATOM 362 O LEU A 88 -2.286 3.538 7.133 1.00 0.00 O ATOM 363 CB LEU A 88 -4.284 3.441 4.885 1.00 0.00 C ATOM 364 CG LEU A 88 -4.492 4.296 3.635 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.432 3.976 2.596 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.883 4.064 3.074 1.00 0.00 C ATOM 0 H LEU A 88 -3.034 5.748 6.234 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.443 4.134 6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.295 2.985 4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.011 2.629 4.870 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.398 5.348 3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.592 4.592 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.444 4.183 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.497 2.923 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.023 4.677 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.999 3.012 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.627 4.336 3.822 1.00 0.00 H new ATOM 378 N ARG A 89 -4.128 2.819 8.183 1.00 0.00 N ATOM 379 CA ARG A 89 -3.394 2.111 9.196 1.00 0.00 C ATOM 380 C ARG A 89 -2.917 0.778 8.640 1.00 0.00 C ATOM 381 O ARG A 89 -3.685 -0.178 8.522 1.00 0.00 O ATOM 382 CB ARG A 89 -4.266 1.916 10.427 1.00 0.00 C ATOM 383 CG ARG A 89 -3.682 0.930 11.401 1.00 0.00 C ATOM 384 CD ARG A 89 -4.527 0.819 12.649 1.00 0.00 C ATOM 385 NE ARG A 89 -3.809 0.165 13.738 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.402 -0.475 14.744 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.726 -0.546 14.808 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.668 -1.046 15.689 1.00 0.00 N ATOM 0 H ARG A 89 -5.142 2.759 8.274 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.520 2.692 9.492 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.403 2.875 10.926 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.253 1.573 10.117 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.602 -0.048 10.926 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.672 1.238 11.670 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.838 1.814 12.966 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.434 0.258 12.424 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.790 0.200 13.728 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.296 -0.109 14.084 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.174 -1.038 15.581 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.650 -0.995 15.645 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.121 -1.536 16.460 1.00 0.00 H new ATOM 402 N ILE A 90 -1.647 0.742 8.278 1.00 0.00 N ATOM 403 CA ILE A 90 -1.038 -0.445 7.698 1.00 0.00 C ATOM 404 C ILE A 90 -1.205 -1.665 8.589 1.00 0.00 C ATOM 405 O ILE A 90 -0.608 -1.763 9.662 1.00 0.00 O ATOM 406 CB ILE A 90 0.462 -0.226 7.408 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.666 1.051 6.598 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.044 -1.408 6.656 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.018 1.028 5.248 1.00 0.00 C ATOM 0 H ILE A 90 -1.009 1.532 8.377 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.560 -0.628 6.759 1.00 0.00 H new ATOM 0 HB ILE A 90 0.979 -0.130 8.363 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.291 1.899 7.171 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.734 1.212 6.452 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.102 -1.231 6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.931 -2.312 7.255 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.518 -1.532 5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.170 1.968 4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.374 0.201 4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.091 0.899 5.386 1.00 0.00 H new ATOM 421 N LEU A 91 -2.005 -2.604 8.110 1.00 0.00 N ATOM 422 CA LEU A 91 -2.252 -3.848 8.815 1.00 0.00 C ATOM 423 C LEU A 91 -1.080 -4.780 8.580 1.00 0.00 C ATOM 424 O LEU A 91 -0.540 -5.383 9.507 1.00 0.00 O ATOM 425 CB LEU A 91 -3.541 -4.476 8.295 1.00 0.00 C ATOM 426 CG LEU A 91 -4.726 -3.508 8.232 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.946 -4.161 7.606 1.00 0.00 C ATOM 428 CD2 LEU A 91 -5.053 -2.970 9.618 1.00 0.00 C ATOM 0 H LEU A 91 -2.500 -2.524 7.222 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.359 -3.664 9.884 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.360 -4.878 7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.807 -5.318 8.935 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.438 -2.672 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.768 -3.445 7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.708 -4.480 6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.240 -5.027 8.199 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.898 -2.284 9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.309 -3.798 10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.187 -2.442 10.017 1.00 0.00 H new ATOM 440 N GLU A 92 -0.680 -4.855 7.321 1.00 0.00 N ATOM 441 CA GLU A 92 0.448 -5.668 6.915 1.00 0.00 C ATOM 442 C GLU A 92 1.210 -4.969 5.803 1.00 0.00 C ATOM 443 O GLU A 92 0.613 -4.415 4.884 1.00 0.00 O ATOM 444 CB GLU A 92 -0.006 -7.053 6.470 1.00 0.00 C ATOM 445 CG GLU A 92 0.578 -8.156 7.328 1.00 0.00 C ATOM 446 CD GLU A 92 -0.476 -8.916 8.107 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.432 -8.276 8.593 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.346 -10.153 8.232 1.00 0.00 O ATOM 0 H GLU A 92 -1.129 -4.354 6.555 1.00 0.00 H new ATOM 0 HA GLU A 92 1.110 -5.798 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.094 -7.105 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.285 -7.212 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.126 -8.852 6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.298 -7.726 8.024 1.00 0.00 H new ATOM 455 N GLN A 93 2.528 -4.971 5.903 1.00 0.00 N ATOM 456 CA GLN A 93 3.360 -4.310 4.912 1.00 0.00 C ATOM 457 C GLN A 93 4.343 -5.278 4.278 1.00 0.00 C ATOM 458 O GLN A 93 5.473 -4.913 3.950 1.00 0.00 O ATOM 459 CB GLN A 93 4.095 -3.140 5.550 1.00 0.00 C ATOM 460 CG GLN A 93 4.480 -3.411 6.973 1.00 0.00 C ATOM 461 CD GLN A 93 5.011 -2.187 7.692 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.517 -1.076 7.497 1.00 0.00 O ATOM 463 NE2 GLN A 93 6.022 -2.384 8.530 1.00 0.00 N ATOM 0 H GLN A 93 3.044 -5.422 6.658 1.00 0.00 H new ATOM 0 HA GLN A 93 2.713 -3.935 4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.991 -2.919 4.970 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.463 -2.253 5.511 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.612 -3.792 7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.238 -4.194 6.995 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.400 -3.322 8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.420 -1.597 9.043 1.00 0.00 H new ATOM 472 N SER A 94 3.896 -6.510 4.091 1.00 0.00 N ATOM 473 CA SER A 94 4.723 -7.535 3.477 1.00 0.00 C ATOM 474 C SER A 94 4.408 -7.631 1.990 1.00 0.00 C ATOM 475 O SER A 94 3.261 -7.857 1.603 1.00 0.00 O ATOM 476 CB SER A 94 4.493 -8.887 4.155 1.00 0.00 C ATOM 477 OG SER A 94 3.419 -8.824 5.076 1.00 0.00 O ATOM 0 H SER A 94 2.963 -6.824 4.357 1.00 0.00 H new ATOM 0 HA SER A 94 5.771 -7.262 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.283 -9.644 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.401 -9.196 4.672 1.00 0.00 H new ATOM 0 HG SER A 94 3.294 -9.702 5.493 1.00 0.00 H new ATOM 483 N GLY A 95 5.425 -7.447 1.162 1.00 0.00 N ATOM 484 CA GLY A 95 5.225 -7.505 -0.273 1.00 0.00 C ATOM 485 C GLY A 95 4.934 -6.155 -0.876 1.00 0.00 C ATOM 486 O GLY A 95 4.512 -5.226 -0.186 1.00 0.00 O ATOM 0 H GLY A 95 6.383 -7.259 1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.115 -7.924 -0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.400 -8.182 -0.493 1.00 0.00 H new ATOM 490 N GLU A 96 5.158 -6.056 -2.178 1.00 0.00 N ATOM 491 CA GLU A 96 4.922 -4.826 -2.915 1.00 0.00 C ATOM 492 C GLU A 96 3.529 -4.255 -2.623 1.00 0.00 C ATOM 493 O GLU A 96 3.276 -3.075 -2.852 1.00 0.00 O ATOM 494 CB GLU A 96 5.096 -5.097 -4.406 1.00 0.00 C ATOM 495 CG GLU A 96 4.154 -4.303 -5.261 1.00 0.00 C ATOM 496 CD GLU A 96 4.435 -4.443 -6.745 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.618 -4.354 -7.136 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.472 -4.638 -7.516 1.00 0.00 O ATOM 0 H GLU A 96 5.507 -6.824 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 96 5.647 -4.078 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.122 -4.866 -4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.943 -6.159 -4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.132 -4.623 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.219 -3.251 -4.983 1.00 0.00 H new ATOM 505 N TRP A 97 2.626 -5.094 -2.127 1.00 0.00 N ATOM 506 CA TRP A 97 1.274 -4.654 -1.813 1.00 0.00 C ATOM 507 C TRP A 97 1.021 -4.721 -0.309 1.00 0.00 C ATOM 508 O TRP A 97 0.910 -5.805 0.265 1.00 0.00 O ATOM 509 CB TRP A 97 0.258 -5.511 -2.565 1.00 0.00 C ATOM 510 CG TRP A 97 0.113 -5.109 -4.000 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.866 -5.544 -5.053 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.832 -4.180 -4.538 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.449 -4.936 -6.212 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.593 -4.095 -5.923 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.857 -3.412 -3.984 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.341 -3.269 -6.758 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.598 -2.593 -4.811 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.337 -2.526 -6.186 1.00 0.00 C ATOM 0 H TRP A 97 2.806 -6.079 -1.935 1.00 0.00 H new ATOM 0 HA TRP A 97 1.163 -3.617 -2.130 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.562 -6.557 -2.514 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.711 -5.436 -2.071 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.671 -6.261 -4.985 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.850 -5.086 -7.138 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.067 -3.458 -2.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.142 -3.217 -7.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.392 -1.994 -4.391 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.934 -1.875 -6.807 1.00 0.00 H new ATOM 529 N TRP A 98 0.947 -3.553 0.328 1.00 0.00 N ATOM 530 CA TRP A 98 0.725 -3.479 1.768 1.00 0.00 C ATOM 531 C TRP A 98 -0.755 -3.413 2.116 1.00 0.00 C ATOM 532 O TRP A 98 -1.524 -2.686 1.487 1.00 0.00 O ATOM 533 CB TRP A 98 1.425 -2.256 2.359 1.00 0.00 C ATOM 534 CG TRP A 98 2.916 -2.367 2.375 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.673 -3.392 1.890 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.828 -1.413 2.916 1.00 0.00 C ATOM 537 NE1 TRP A 98 5.006 -3.132 2.101 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.126 -1.917 2.728 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.664 -0.181 3.541 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.259 -1.222 3.144 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.784 0.511 3.954 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.069 -0.010 3.755 1.00 0.00 C ATOM 0 H TRP A 98 1.038 -2.647 -0.132 1.00 0.00 H new ATOM 0 HA TRP A 98 1.142 -4.391 2.195 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.141 -1.373 1.786 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.070 -2.102 3.378 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.283 -4.278 1.411 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.779 -3.742 1.835 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.677 0.227 3.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.250 -1.623 2.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.668 1.469 4.438 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.927 0.554 4.090 1.00 0.00 H new ATOM 553 N LYS A 99 -1.134 -4.149 3.151 1.00 0.00 N ATOM 554 CA LYS A 99 -2.505 -4.156 3.628 1.00 0.00 C ATOM 555 C LYS A 99 -2.708 -2.983 4.577 1.00 0.00 C ATOM 556 O LYS A 99 -2.072 -2.916 5.627 1.00 0.00 O ATOM 557 CB LYS A 99 -2.813 -5.469 4.353 1.00 0.00 C ATOM 558 CG LYS A 99 -4.195 -5.513 4.987 1.00 0.00 C ATOM 559 CD LYS A 99 -5.224 -4.840 4.111 1.00 0.00 C ATOM 560 CE LYS A 99 -6.635 -5.263 4.481 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.324 -5.959 3.359 1.00 0.00 N ATOM 0 H LYS A 99 -0.504 -4.753 3.679 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.180 -4.065 2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.722 -6.293 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.063 -5.630 5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.485 -6.549 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.166 -5.023 5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.131 -3.758 4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.031 -5.087 3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.600 -5.922 5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.212 -4.385 4.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.267 -5.543 3.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.766 -5.851 2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.421 -6.970 3.585 1.00 0.00 H new ATOM 575 N ALA A 100 -3.578 -2.055 4.208 1.00 0.00 N ATOM 576 CA ALA A 100 -3.827 -0.891 5.046 1.00 0.00 C ATOM 577 C ALA A 100 -5.284 -0.785 5.442 1.00 0.00 C ATOM 578 O ALA A 100 -6.180 -1.051 4.644 1.00 0.00 O ATOM 579 CB ALA A 100 -3.401 0.385 4.336 1.00 0.00 C ATOM 0 H ALA A 100 -4.118 -2.083 3.343 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.234 -1.018 5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.596 1.242 4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.336 0.337 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.965 0.492 3.410 1.00 0.00 H new ATOM 585 N GLN A 101 -5.516 -0.352 6.671 1.00 0.00 N ATOM 586 CA GLN A 101 -6.863 -0.160 7.151 1.00 0.00 C ATOM 587 C GLN A 101 -7.122 1.326 7.255 1.00 0.00 C ATOM 588 O GLN A 101 -6.547 2.010 8.101 1.00 0.00 O ATOM 589 CB GLN A 101 -7.084 -0.834 8.504 1.00 0.00 C ATOM 590 CG GLN A 101 -8.418 -0.494 9.128 1.00 0.00 C ATOM 591 CD GLN A 101 -8.484 -0.829 10.603 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.937 -1.908 10.988 1.00 0.00 O ATOM 593 NE2 GLN A 101 -8.032 0.098 11.439 1.00 0.00 N ATOM 0 H GLN A 101 -4.787 -0.129 7.348 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.559 -0.621 6.450 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.013 -1.915 8.380 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.286 -0.538 9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.615 0.570 8.993 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.206 -1.033 8.603 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.665 0.978 11.075 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.051 -0.069 12.445 1.00 0.00 H new ATOM 602 N SER A 102 -7.981 1.824 6.388 1.00 0.00 N ATOM 603 CA SER A 102 -8.306 3.230 6.374 1.00 0.00 C ATOM 604 C SER A 102 -8.659 3.700 7.778 1.00 0.00 C ATOM 605 O SER A 102 -8.836 2.887 8.685 1.00 0.00 O ATOM 606 CB SER A 102 -9.455 3.464 5.406 1.00 0.00 C ATOM 607 OG SER A 102 -9.024 4.179 4.261 1.00 0.00 O ATOM 0 H SER A 102 -8.467 1.270 5.682 1.00 0.00 H new ATOM 0 HA SER A 102 -7.444 3.808 6.040 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.878 2.507 5.102 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.248 4.019 5.907 1.00 0.00 H new ATOM 0 HG SER A 102 -9.782 4.314 3.655 1.00 0.00 H new ATOM 613 N LEU A 103 -8.727 5.004 7.967 1.00 0.00 N ATOM 614 CA LEU A 103 -9.031 5.548 9.283 1.00 0.00 C ATOM 615 C LEU A 103 -10.216 6.498 9.245 1.00 0.00 C ATOM 616 O LEU A 103 -10.903 6.688 10.250 1.00 0.00 O ATOM 617 CB LEU A 103 -7.797 6.226 9.845 1.00 0.00 C ATOM 618 CG LEU A 103 -6.723 5.238 10.302 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.697 5.046 9.204 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.058 5.685 11.591 1.00 0.00 C ATOM 0 H LEU A 103 -8.578 5.702 7.238 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.317 4.726 9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.376 6.886 9.087 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.087 6.853 10.688 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.208 4.283 10.506 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.935 4.341 9.537 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.187 4.656 8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.229 6.003 8.972 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.301 4.956 11.882 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.587 6.656 11.440 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.807 5.764 12.379 1.00 0.00 H new ATOM 632 N THR A 104 -10.475 7.070 8.083 1.00 0.00 N ATOM 633 CA THR A 104 -11.597 7.967 7.914 1.00 0.00 C ATOM 634 C THR A 104 -12.853 7.147 7.668 1.00 0.00 C ATOM 635 O THR A 104 -13.933 7.443 8.177 1.00 0.00 O ATOM 636 CB THR A 104 -11.336 8.894 6.737 1.00 0.00 C ATOM 637 OG1 THR A 104 -9.966 9.245 6.665 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.131 10.161 6.815 1.00 0.00 C ATOM 0 H THR A 104 -9.919 6.926 7.240 1.00 0.00 H new ATOM 0 HA THR A 104 -11.730 8.570 8.812 1.00 0.00 H new ATOM 0 HB THR A 104 -11.640 8.339 5.849 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.629 9.063 5.763 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.906 10.785 5.950 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.195 9.923 6.824 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.872 10.698 7.727 1.00 0.00 H new ATOM 646 N THR A 105 -12.669 6.105 6.876 1.00 0.00 N ATOM 647 CA THR A 105 -13.723 5.176 6.510 1.00 0.00 C ATOM 648 C THR A 105 -13.471 3.831 7.176 1.00 0.00 C ATOM 649 O THR A 105 -14.387 3.116 7.582 1.00 0.00 O ATOM 650 CB THR A 105 -13.706 4.995 5.001 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.888 3.898 4.631 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.195 6.208 4.255 1.00 0.00 C ATOM 0 H THR A 105 -11.765 5.877 6.462 1.00 0.00 H new ATOM 0 HA THR A 105 -14.689 5.564 6.834 1.00 0.00 H new ATOM 0 HB THR A 105 -14.747 4.826 4.726 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.380 4.126 3.825 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.210 6.009 3.183 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.832 7.065 4.474 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.174 6.425 4.569 1.00 0.00 H new ATOM 660 N GLY A 106 -12.193 3.521 7.259 1.00 0.00 N ATOM 661 CA GLY A 106 -11.710 2.299 7.839 1.00 0.00 C ATOM 662 C GLY A 106 -11.746 1.130 6.880 1.00 0.00 C ATOM 663 O GLY A 106 -11.326 0.026 7.227 1.00 0.00 O ATOM 0 H GLY A 106 -11.450 4.130 6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.686 2.447 8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.310 2.059 8.717 1.00 0.00 H new ATOM 667 N GLN A 107 -12.231 1.366 5.665 1.00 0.00 N ATOM 668 CA GLN A 107 -12.293 0.331 4.664 1.00 0.00 C ATOM 669 C GLN A 107 -10.961 -0.383 4.533 1.00 0.00 C ATOM 670 O GLN A 107 -9.925 0.237 4.295 1.00 0.00 O ATOM 671 CB GLN A 107 -12.721 0.939 3.350 1.00 0.00 C ATOM 672 CG GLN A 107 -14.222 1.018 3.236 1.00 0.00 C ATOM 673 CD GLN A 107 -14.764 2.412 3.486 1.00 0.00 C ATOM 674 OE1 GLN A 107 -15.404 2.667 4.505 1.00 0.00 O ATOM 675 NE2 GLN A 107 -14.509 3.321 2.552 1.00 0.00 N ATOM 0 H GLN A 107 -12.586 2.272 5.358 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.026 -0.417 4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.296 1.938 3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.324 0.344 2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.523 0.691 2.241 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.672 0.326 3.948 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.974 3.064 1.723 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.848 4.276 2.664 1.00 0.00 H new ATOM 684 N GLU A 108 -10.998 -1.692 4.717 1.00 0.00 N ATOM 685 CA GLU A 108 -9.793 -2.505 4.649 1.00 0.00 C ATOM 686 C GLU A 108 -9.563 -3.055 3.246 1.00 0.00 C ATOM 687 O GLU A 108 -10.510 -3.350 2.515 1.00 0.00 O ATOM 688 CB GLU A 108 -9.875 -3.650 5.656 1.00 0.00 C ATOM 689 CG GLU A 108 -9.962 -3.184 7.096 1.00 0.00 C ATOM 690 CD GLU A 108 -11.136 -3.792 7.840 1.00 0.00 C ATOM 691 OE1 GLU A 108 -12.269 -3.299 7.664 1.00 0.00 O ATOM 692 OE2 GLU A 108 -10.920 -4.760 8.599 1.00 0.00 O ATOM 0 H GLU A 108 -11.850 -2.216 4.915 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.946 -1.865 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.747 -4.263 5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.999 -4.288 5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.037 -3.441 7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.047 -2.098 7.117 1.00 0.00 H new ATOM 699 N GLY A 109 -8.293 -3.191 2.882 1.00 0.00 N ATOM 700 CA GLY A 109 -7.939 -3.707 1.573 1.00 0.00 C ATOM 701 C GLY A 109 -6.454 -3.589 1.293 1.00 0.00 C ATOM 702 O GLY A 109 -5.702 -3.055 2.108 1.00 0.00 O ATOM 0 H GLY A 109 -7.498 -2.951 3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.238 -4.753 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.495 -3.165 0.808 1.00 0.00 H new ATOM 706 N PHE A 110 -6.032 -4.087 0.138 1.00 0.00 N ATOM 707 CA PHE A 110 -4.634 -4.039 -0.253 1.00 0.00 C ATOM 708 C PHE A 110 -4.313 -2.708 -0.922 1.00 0.00 C ATOM 709 O PHE A 110 -5.143 -2.150 -1.638 1.00 0.00 O ATOM 710 CB PHE A 110 -4.327 -5.196 -1.199 1.00 0.00 C ATOM 711 CG PHE A 110 -3.709 -6.383 -0.516 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.213 -6.844 0.691 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.626 -7.037 -1.080 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.646 -7.936 1.321 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.056 -8.129 -0.454 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.566 -8.579 0.749 1.00 0.00 C ATOM 0 H PHE A 110 -6.644 -4.531 -0.546 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.013 -4.132 0.638 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.249 -5.509 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.653 -4.846 -1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.057 -6.345 1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.223 -6.689 -2.020 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.048 -8.286 2.260 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.212 -8.631 -0.905 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.121 -9.431 1.241 1.00 0.00 H new ATOM 726 N ILE A 111 -3.114 -2.194 -0.678 1.00 0.00 N ATOM 727 CA ILE A 111 -2.712 -0.920 -1.256 1.00 0.00 C ATOM 728 C ILE A 111 -1.270 -0.944 -1.760 1.00 0.00 C ATOM 729 O ILE A 111 -0.386 -1.533 -1.140 1.00 0.00 O ATOM 730 CB ILE A 111 -2.857 0.227 -0.232 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.886 0.017 0.930 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.290 0.316 0.268 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.402 1.299 1.570 1.00 0.00 C ATOM 0 H ILE A 111 -2.409 -2.636 -0.089 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.377 -0.748 -2.102 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.612 1.170 -0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.372 -0.595 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.024 -0.546 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.374 1.129 0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.958 0.506 -0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.567 -0.623 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.718 1.063 2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.885 1.905 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.254 1.855 1.961 1.00 0.00 H new ATOM 745 N PRO A 112 -1.023 -0.276 -2.892 1.00 0.00 N ATOM 746 CA PRO A 112 0.303 -0.178 -3.488 1.00 0.00 C ATOM 747 C PRO A 112 1.333 0.316 -2.473 1.00 0.00 C ATOM 748 O PRO A 112 1.262 1.455 -2.012 1.00 0.00 O ATOM 749 CB PRO A 112 0.128 0.844 -4.624 1.00 0.00 C ATOM 750 CG PRO A 112 -1.224 1.448 -4.424 1.00 0.00 C ATOM 751 CD PRO A 112 -2.027 0.448 -3.660 1.00 0.00 C ATOM 0 HA PRO A 112 0.670 -1.143 -3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.906 1.606 -4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.200 0.361 -5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.152 2.388 -3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.694 1.673 -5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.758 0.931 -3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.580 -0.216 -4.325 1.00 0.00 H new ATOM 759 N PHE A 113 2.275 -0.550 -2.113 1.00 0.00 N ATOM 760 CA PHE A 113 3.302 -0.201 -1.131 1.00 0.00 C ATOM 761 C PHE A 113 4.029 1.096 -1.495 1.00 0.00 C ATOM 762 O PHE A 113 4.598 1.758 -0.627 1.00 0.00 O ATOM 763 CB PHE A 113 4.306 -1.351 -0.976 1.00 0.00 C ATOM 764 CG PHE A 113 5.369 -1.391 -2.043 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.047 -1.183 -3.376 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.691 -1.635 -1.709 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.024 -1.218 -4.353 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.672 -1.670 -2.681 1.00 0.00 C ATOM 769 CZ PHE A 113 7.338 -1.462 -4.005 1.00 0.00 C ATOM 0 H PHE A 113 2.351 -1.497 -2.484 1.00 0.00 H new ATOM 0 HA PHE A 113 2.798 -0.035 -0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.788 -1.269 -0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.763 -2.296 -0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.021 -0.991 -3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.958 -1.800 -0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.760 -1.055 -5.387 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.699 -1.860 -2.406 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.103 -1.490 -4.767 1.00 0.00 H new ATOM 779 N ASN A 114 4.012 1.455 -2.774 1.00 0.00 N ATOM 780 CA ASN A 114 4.678 2.670 -3.232 1.00 0.00 C ATOM 781 C ASN A 114 3.673 3.800 -3.446 1.00 0.00 C ATOM 782 O ASN A 114 3.844 4.634 -4.334 1.00 0.00 O ATOM 783 CB ASN A 114 5.440 2.400 -4.529 1.00 0.00 C ATOM 784 CG ASN A 114 4.608 1.641 -5.545 1.00 0.00 C ATOM 785 OD1 ASN A 114 4.000 0.619 -5.229 1.00 0.00 O ATOM 786 ND2 ASN A 114 4.578 2.141 -6.776 1.00 0.00 N ATOM 0 H ASN A 114 3.546 0.924 -3.510 1.00 0.00 H new ATOM 0 HA ASN A 114 5.383 2.978 -2.460 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.761 3.348 -4.962 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.342 1.831 -4.305 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.035 1.674 -7.503 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.098 2.991 -6.994 1.00 0.00 H new ATOM 793 N PHE A 115 2.621 3.813 -2.635 1.00 0.00 N ATOM 794 CA PHE A 115 1.583 4.834 -2.746 1.00 0.00 C ATOM 795 C PHE A 115 1.419 5.628 -1.451 1.00 0.00 C ATOM 796 O PHE A 115 0.808 6.696 -1.450 1.00 0.00 O ATOM 797 CB PHE A 115 0.248 4.179 -3.090 1.00 0.00 C ATOM 798 CG PHE A 115 -0.380 4.707 -4.342 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.356 4.836 -5.509 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.712 5.075 -4.350 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.231 5.322 -6.661 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.305 5.560 -5.494 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.564 5.685 -6.654 1.00 0.00 C ATOM 0 H PHE A 115 2.464 3.130 -1.894 1.00 0.00 H new ATOM 0 HA PHE A 115 1.889 5.521 -3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.398 3.104 -3.195 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.442 4.325 -2.259 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.398 4.554 -5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.296 4.981 -3.446 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.351 5.418 -7.566 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.347 5.842 -5.485 1.00 0.00 H new ATOM 0 HZ PHE A 115 -2.026 6.066 -7.553 1.00 0.00 H new ATOM 813 N VAL A 116 1.924 5.092 -0.345 1.00 0.00 N ATOM 814 CA VAL A 116 1.773 5.758 0.943 1.00 0.00 C ATOM 815 C VAL A 116 3.101 6.083 1.615 1.00 0.00 C ATOM 816 O VAL A 116 4.089 5.365 1.466 1.00 0.00 O ATOM 817 CB VAL A 116 0.931 4.901 1.904 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.489 4.771 1.382 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.564 3.529 2.109 1.00 0.00 C ATOM 0 H VAL A 116 2.435 4.210 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 116 1.269 6.700 0.728 1.00 0.00 H new ATOM 0 HB VAL A 116 0.899 5.399 2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.075 4.162 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.938 5.761 1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.474 4.296 0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.949 2.943 2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.634 3.014 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.562 3.648 2.530 1.00 0.00 H new ATOM 829 N ALA A 117 3.090 7.174 2.376 1.00 0.00 N ATOM 830 CA ALA A 117 4.257 7.627 3.116 1.00 0.00 C ATOM 831 C ALA A 117 3.843 8.030 4.527 1.00 0.00 C ATOM 832 O ALA A 117 2.775 8.610 4.719 1.00 0.00 O ATOM 833 CB ALA A 117 4.925 8.791 2.398 1.00 0.00 C ATOM 0 H ALA A 117 2.269 7.767 2.495 1.00 0.00 H new ATOM 0 HA ALA A 117 4.978 6.812 3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.796 9.117 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.238 8.474 1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.220 9.617 2.310 1.00 0.00 H new ATOM 839 N LYS A 118 4.676 7.707 5.513 1.00 0.00 N ATOM 840 CA LYS A 118 4.378 8.021 6.912 1.00 0.00 C ATOM 841 C LYS A 118 3.733 9.395 7.066 1.00 0.00 C ATOM 842 O LYS A 118 4.137 10.358 6.414 1.00 0.00 O ATOM 843 CB LYS A 118 5.659 7.961 7.748 1.00 0.00 C ATOM 844 CG LYS A 118 6.306 6.587 7.773 1.00 0.00 C ATOM 845 CD LYS A 118 5.292 5.509 8.112 1.00 0.00 C ATOM 846 CE LYS A 118 5.936 4.134 8.172 1.00 0.00 C ATOM 847 NZ LYS A 118 4.954 3.076 8.537 1.00 0.00 N ATOM 0 H LYS A 118 5.565 7.227 5.371 1.00 0.00 H new ATOM 0 HA LYS A 118 3.666 7.276 7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.374 8.683 7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.430 8.264 8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.755 6.376 6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.112 6.575 8.506 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.826 5.735 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.498 5.507 7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.380 3.899 7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.746 4.144 8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.458 2.187 8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 4.427 3.369 9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.291 2.931 7.749 1.00 0.00 H new ATOM 861 N ALA A 119 2.727 9.476 7.938 1.00 0.00 N ATOM 862 CA ALA A 119 2.023 10.735 8.189 1.00 0.00 C ATOM 863 C ALA A 119 2.920 11.726 8.929 1.00 0.00 C ATOM 864 O ALA A 119 2.550 12.250 9.980 1.00 0.00 O ATOM 865 CB ALA A 119 0.743 10.497 8.986 1.00 0.00 C ATOM 0 H ALA A 119 2.381 8.685 8.482 1.00 0.00 H new ATOM 0 HA ALA A 119 1.757 11.160 7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.240 11.448 9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.084 9.834 8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 119 0.990 10.039 9.943 1.00 0.00 H new ATOM 871 N ASN A 120 4.101 11.978 8.375 1.00 0.00 N ATOM 872 CA ASN A 120 5.048 12.904 8.983 1.00 0.00 C ATOM 873 C ASN A 120 5.039 14.247 8.259 1.00 0.00 C ATOM 874 O ASN A 120 4.836 14.253 7.027 1.00 0.00 O ATOM 875 CB ASN A 120 6.458 12.311 8.963 1.00 0.00 C ATOM 876 CG ASN A 120 6.722 11.407 10.151 1.00 0.00 C ATOM 877 OD1 ASN A 120 7.688 11.600 10.890 1.00 0.00 O ATOM 878 ND2 ASN A 120 5.863 10.413 10.341 1.00 0.00 N ATOM 879 OXT ASN A 120 5.234 15.283 8.931 1.00 0.00 O ATOM 0 H ASN A 120 4.425 11.554 7.506 1.00 0.00 H new ATOM 0 HA ASN A 120 4.744 13.067 10.017 1.00 0.00 H new ATOM 0 HB2 ASN A 120 6.598 11.746 8.042 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.189 13.119 8.956 1.00 0.00 H new ATOM 0 HD21 ASN A 120 5.990 9.772 11.124 1.00 0.00 H new ATOM 0 HD22 ASN A 120 5.076 10.290 9.704 1.00 0.00 H new