USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 836 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 41 ASN : amide:sc= 1.03 K(o=1.3,f=0.72) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.278 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.189 X(o=-0.1,f=0.047) USER MOD Set 2.2: A 39 THR OG1 : rot -110:sc= 0.0845 USER MOD Set 3.1: A 16 SER OG : rot 140:sc= 0.207 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 146:sc= 0.0396 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot -162:sc= 0.0444 USER MOD Single : A 27 SER OG : rot -22:sc= 0.0733 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -138:sc= 0.00278 USER MOD Single : A 34 TYR OH : rot -178:sc= 0.00143 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 37 ASN : amide:sc= -0.0363 X(o=-0.036,f=-0.46) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00717 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= 1.02 (180deg=0.457) USER MOD Single : A 76 THR OG1 : rot 124:sc= 1.32 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 84 THR OG1 : rot 63:sc= 1.23 USER MOD Single : A 89 ASN : amide:sc= 1.9 K(o=1.9,f=-2.1!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= 0.964 K(o=0.96,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.321 -0.212 0.364 1.00 0.00 N ATOM 2 CA ALA A 1 -0.639 -0.461 -0.937 1.00 0.00 C ATOM 3 C ALA A 1 -0.392 -1.964 -1.170 1.00 0.00 C ATOM 4 O ALA A 1 -0.318 -2.738 -0.213 1.00 0.00 O ATOM 5 CB ALA A 1 0.675 0.342 -1.044 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.985 0.687 0.766 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.349 -0.161 0.213 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.106 -0.987 1.023 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.307 -0.113 -1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.149 0.139 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.458 1.407 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.348 0.048 -0.238 1.00 0.00 H new ATOM 13 N VAL A 2 -0.252 -2.384 -2.438 1.00 0.00 N ATOM 14 CA VAL A 2 0.022 -3.782 -2.848 1.00 0.00 C ATOM 15 C VAL A 2 1.143 -3.825 -3.895 1.00 0.00 C ATOM 16 O VAL A 2 1.059 -3.162 -4.928 1.00 0.00 O ATOM 17 CB VAL A 2 -1.247 -4.476 -3.400 1.00 0.00 C ATOM 18 CG1 VAL A 2 -0.982 -5.941 -3.780 1.00 0.00 C ATOM 19 CG2 VAL A 2 -2.400 -4.475 -2.387 1.00 0.00 C ATOM 0 H VAL A 2 -0.327 -1.748 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 2 0.341 -4.326 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.523 -3.898 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.899 -6.389 -4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.210 -5.984 -4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.649 -6.491 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.267 -4.973 -2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.092 -5.004 -1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.661 -3.447 -2.134 1.00 0.00 H new ATOM 29 N GLU A 3 2.164 -4.647 -3.644 1.00 0.00 N ATOM 30 CA GLU A 3 3.253 -5.000 -4.575 1.00 0.00 C ATOM 31 C GLU A 3 3.597 -6.499 -4.453 1.00 0.00 C ATOM 32 O GLU A 3 3.548 -7.069 -3.357 1.00 0.00 O ATOM 33 CB GLU A 3 4.515 -4.155 -4.295 1.00 0.00 C ATOM 34 CG GLU A 3 4.519 -2.788 -5.007 1.00 0.00 C ATOM 35 CD GLU A 3 4.753 -2.931 -6.534 1.00 0.00 C ATOM 36 OE1 GLU A 3 5.929 -2.986 -6.967 1.00 0.00 O ATOM 37 OE2 GLU A 3 3.777 -3.001 -7.322 1.00 0.00 O ATOM 0 H GLU A 3 2.264 -5.111 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 3 2.910 -4.790 -5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.602 -3.995 -3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.395 -4.719 -4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.568 -2.284 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.298 -2.158 -4.578 1.00 0.00 H new ATOM 44 N VAL A 4 3.955 -7.136 -5.575 1.00 0.00 N ATOM 45 CA VAL A 4 4.329 -8.561 -5.666 1.00 0.00 C ATOM 46 C VAL A 4 5.545 -8.705 -6.594 1.00 0.00 C ATOM 47 O VAL A 4 5.688 -7.943 -7.552 1.00 0.00 O ATOM 48 CB VAL A 4 3.138 -9.419 -6.162 1.00 0.00 C ATOM 49 CG1 VAL A 4 3.439 -10.924 -6.105 1.00 0.00 C ATOM 50 CG2 VAL A 4 1.859 -9.199 -5.339 1.00 0.00 C ATOM 0 H VAL A 4 3.995 -6.661 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 4 4.594 -8.927 -4.674 1.00 0.00 H new ATOM 0 HB VAL A 4 2.985 -9.093 -7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.574 -11.482 -6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.300 -11.147 -6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.657 -11.213 -5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.060 -9.827 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.046 -9.462 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.562 -8.152 -5.401 1.00 0.00 H new ATOM 60 N GLU A 5 6.412 -9.692 -6.344 1.00 0.00 N ATOM 61 CA GLU A 5 7.648 -9.949 -7.110 1.00 0.00 C ATOM 62 C GLU A 5 7.376 -10.644 -8.468 1.00 0.00 C ATOM 63 O GLU A 5 7.915 -11.710 -8.778 1.00 0.00 O ATOM 64 CB GLU A 5 8.661 -10.720 -6.236 1.00 0.00 C ATOM 65 CG GLU A 5 9.018 -10.028 -4.911 1.00 0.00 C ATOM 66 CD GLU A 5 9.573 -8.604 -5.118 1.00 0.00 C ATOM 67 OE1 GLU A 5 10.676 -8.457 -5.699 1.00 0.00 O ATOM 68 OE2 GLU A 5 8.915 -7.623 -4.693 1.00 0.00 O ATOM 0 H GLU A 5 6.274 -10.356 -5.582 1.00 0.00 H new ATOM 0 HA GLU A 5 8.091 -8.987 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.255 -11.708 -6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.575 -10.871 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.131 -9.980 -4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.756 -10.628 -4.379 1.00 0.00 H new ATOM 75 N VAL A 6 6.489 -10.046 -9.272 1.00 0.00 N ATOM 76 CA VAL A 6 6.009 -10.563 -10.564 1.00 0.00 C ATOM 77 C VAL A 6 7.065 -10.458 -11.685 1.00 0.00 C ATOM 78 O VAL A 6 7.374 -11.496 -12.281 1.00 0.00 O ATOM 79 CB VAL A 6 4.651 -9.916 -10.928 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.230 -10.141 -12.386 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.545 -10.493 -10.037 1.00 0.00 C ATOM 0 H VAL A 6 6.066 -9.149 -9.032 1.00 0.00 H new ATOM 0 HA VAL A 6 5.839 -11.634 -10.457 1.00 0.00 H new ATOM 0 HB VAL A 6 4.786 -8.845 -10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.269 -9.659 -12.566 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.980 -9.714 -13.051 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.141 -11.210 -12.578 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.591 -10.034 -10.298 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.482 -11.571 -10.187 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.774 -10.285 -8.992 1.00 0.00 H new ATOM 91 N PRO A 7 7.646 -9.277 -12.000 1.00 0.00 N ATOM 92 CA PRO A 7 8.676 -9.155 -13.035 1.00 0.00 C ATOM 93 C PRO A 7 10.081 -9.542 -12.532 1.00 0.00 C ATOM 94 O PRO A 7 10.328 -9.696 -11.334 1.00 0.00 O ATOM 95 CB PRO A 7 8.621 -7.692 -13.478 1.00 0.00 C ATOM 96 CG PRO A 7 8.295 -6.982 -12.165 1.00 0.00 C ATOM 97 CD PRO A 7 7.318 -7.948 -11.489 1.00 0.00 C ATOM 0 HA PRO A 7 8.485 -9.844 -13.858 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.568 -7.356 -13.900 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.856 -7.522 -14.236 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.187 -6.821 -11.560 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.844 -6.004 -12.335 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.420 -7.911 -10.404 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.286 -7.685 -11.721 1.00 0.00 H new ATOM 105 N GLY A 8 11.014 -9.659 -13.480 1.00 0.00 N ATOM 106 CA GLY A 8 12.444 -9.912 -13.237 1.00 0.00 C ATOM 107 C GLY A 8 13.105 -10.767 -14.328 1.00 0.00 C ATOM 108 O GLY A 8 12.479 -11.685 -14.861 1.00 0.00 O ATOM 0 H GLY A 8 10.792 -9.578 -14.472 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.967 -8.958 -13.166 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.559 -10.411 -12.275 1.00 0.00 H new ATOM 112 N LEU A 9 14.369 -10.466 -14.667 1.00 0.00 N ATOM 113 CA LEU A 9 15.171 -11.233 -15.639 1.00 0.00 C ATOM 114 C LEU A 9 16.670 -11.341 -15.269 1.00 0.00 C ATOM 115 O LEU A 9 17.533 -11.382 -16.147 1.00 0.00 O ATOM 116 CB LEU A 9 14.861 -10.778 -17.089 1.00 0.00 C ATOM 117 CG LEU A 9 15.022 -9.290 -17.464 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.469 -8.815 -17.576 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.363 -9.023 -18.817 1.00 0.00 C ATOM 0 H LEU A 9 14.871 -9.672 -14.269 1.00 0.00 H new ATOM 0 HA LEU A 9 14.856 -12.275 -15.587 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.500 -11.355 -17.757 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.832 -11.062 -17.308 1.00 0.00 H new ATOM 0 HG LEU A 9 14.551 -8.743 -16.647 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.485 -7.758 -17.843 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.973 -8.956 -16.620 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.983 -9.392 -18.345 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.479 -7.971 -19.077 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.837 -9.640 -19.580 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.302 -9.267 -18.760 1.00 0.00 H new ATOM 131 N LEU A 10 16.981 -11.424 -13.963 1.00 0.00 N ATOM 132 CA LEU A 10 18.342 -11.701 -13.487 1.00 0.00 C ATOM 133 C LEU A 10 18.798 -13.050 -14.051 1.00 0.00 C ATOM 134 O LEU A 10 18.165 -14.082 -13.806 1.00 0.00 O ATOM 135 CB LEU A 10 18.418 -11.725 -11.945 1.00 0.00 C ATOM 136 CG LEU A 10 18.447 -10.332 -11.290 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.846 -10.372 -9.885 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.874 -9.799 -11.145 1.00 0.00 C ATOM 0 H LEU A 10 16.299 -11.301 -13.215 1.00 0.00 H new ATOM 0 HA LEU A 10 18.997 -10.902 -13.833 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.561 -12.277 -11.559 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.311 -12.273 -11.645 1.00 0.00 H new ATOM 0 HG LEU A 10 17.867 -9.683 -11.946 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.880 -9.375 -9.446 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.811 -10.709 -9.941 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.418 -11.061 -9.264 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.849 -8.814 -10.679 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.455 -10.480 -10.524 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.336 -9.723 -12.129 1.00 0.00 H new ATOM 150 N THR A 11 19.912 -13.026 -14.779 1.00 0.00 N ATOM 151 CA THR A 11 20.572 -14.221 -15.306 1.00 0.00 C ATOM 152 C THR A 11 22.034 -14.257 -14.874 1.00 0.00 C ATOM 153 O THR A 11 22.724 -13.236 -14.838 1.00 0.00 O ATOM 154 CB THR A 11 20.431 -14.309 -16.835 1.00 0.00 C ATOM 155 OG1 THR A 11 19.073 -14.518 -17.186 1.00 0.00 O ATOM 156 CG2 THR A 11 21.227 -15.462 -17.448 1.00 0.00 C ATOM 0 H THR A 11 20.391 -12.160 -15.025 1.00 0.00 H new ATOM 0 HA THR A 11 20.076 -15.097 -14.888 1.00 0.00 H new ATOM 0 HB THR A 11 20.817 -13.366 -17.221 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.992 -14.571 -18.161 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.085 -15.468 -18.529 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.286 -15.334 -17.222 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.879 -16.407 -17.031 1.00 0.00 H new ATOM 164 N ASP A 12 22.510 -15.456 -14.550 1.00 0.00 N ATOM 165 CA ASP A 12 23.899 -15.788 -14.248 1.00 0.00 C ATOM 166 C ASP A 12 24.780 -15.783 -15.516 1.00 0.00 C ATOM 167 O ASP A 12 25.400 -16.786 -15.881 1.00 0.00 O ATOM 168 CB ASP A 12 23.946 -17.112 -13.464 1.00 0.00 C ATOM 169 CG ASP A 12 23.397 -18.330 -14.239 1.00 0.00 C ATOM 170 OD1 ASP A 12 24.096 -19.370 -14.316 1.00 0.00 O ATOM 171 OD2 ASP A 12 22.235 -18.281 -14.717 1.00 0.00 O ATOM 0 H ASP A 12 21.899 -16.271 -14.488 1.00 0.00 H new ATOM 0 HA ASP A 12 24.329 -15.015 -13.611 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.978 -17.314 -13.177 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.376 -16.995 -12.543 1.00 0.00 H new ATOM 176 N HIS A 13 24.864 -14.632 -16.197 1.00 0.00 N ATOM 177 CA HIS A 13 25.781 -14.382 -17.321 1.00 0.00 C ATOM 178 C HIS A 13 27.208 -14.106 -16.802 1.00 0.00 C ATOM 179 O HIS A 13 27.894 -13.174 -17.231 1.00 0.00 O ATOM 180 CB HIS A 13 25.220 -13.274 -18.239 1.00 0.00 C ATOM 181 CG HIS A 13 24.054 -13.675 -19.112 1.00 0.00 C ATOM 182 ND1 HIS A 13 22.888 -12.923 -19.299 1.00 0.00 N ATOM 183 CD2 HIS A 13 24.004 -14.770 -19.926 1.00 0.00 C ATOM 184 CE1 HIS A 13 22.166 -13.584 -20.220 1.00 0.00 C ATOM 185 NE2 HIS A 13 22.809 -14.699 -20.608 1.00 0.00 N ATOM 0 H HIS A 13 24.280 -13.825 -15.976 1.00 0.00 H new ATOM 0 HA HIS A 13 25.857 -15.275 -17.942 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.912 -12.433 -17.617 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.025 -12.917 -18.881 1.00 0.00 H new ATOM 0 HD2 HIS A 13 24.755 -15.541 -20.017 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.205 -13.265 -20.595 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.470 -15.377 -21.291 1.00 0.00 H new ATOM 193 N THR A 14 27.648 -14.908 -15.828 1.00 0.00 N ATOM 194 CA THR A 14 28.893 -14.737 -15.080 1.00 0.00 C ATOM 195 C THR A 14 29.686 -16.052 -14.978 1.00 0.00 C ATOM 196 O THR A 14 29.109 -17.108 -14.708 1.00 0.00 O ATOM 197 CB THR A 14 28.640 -14.120 -13.691 1.00 0.00 C ATOM 198 OG1 THR A 14 27.771 -14.919 -12.922 1.00 0.00 O ATOM 199 CG2 THR A 14 27.986 -12.738 -13.730 1.00 0.00 C ATOM 0 H THR A 14 27.122 -15.729 -15.528 1.00 0.00 H new ATOM 0 HA THR A 14 29.509 -14.034 -15.642 1.00 0.00 H new ATOM 0 HB THR A 14 29.638 -14.047 -13.259 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.632 -14.502 -12.046 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.842 -12.375 -12.712 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.629 -12.047 -14.275 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.020 -12.807 -14.230 1.00 0.00 H new ATOM 207 N VAL A 15 31.007 -16.009 -15.226 1.00 0.00 N ATOM 208 CA VAL A 15 31.882 -17.206 -15.371 1.00 0.00 C ATOM 209 C VAL A 15 33.213 -17.107 -14.598 1.00 0.00 C ATOM 210 O VAL A 15 34.251 -17.624 -15.022 1.00 0.00 O ATOM 211 CB VAL A 15 32.089 -17.600 -16.854 1.00 0.00 C ATOM 212 CG1 VAL A 15 30.751 -18.001 -17.483 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.717 -16.515 -17.736 1.00 0.00 C ATOM 0 H VAL A 15 31.514 -15.130 -15.335 1.00 0.00 H new ATOM 0 HA VAL A 15 31.338 -18.021 -14.893 1.00 0.00 H new ATOM 0 HB VAL A 15 32.796 -18.429 -16.821 1.00 0.00 H new ATOM 0 HG11 VAL A 15 30.907 -18.276 -18.526 1.00 0.00 H new ATOM 0 HG12 VAL A 15 30.335 -18.851 -16.942 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.058 -17.162 -17.429 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.820 -16.889 -18.755 1.00 0.00 H new ATOM 0 HG22 VAL A 15 32.079 -15.632 -17.736 1.00 0.00 H new ATOM 0 HG23 VAL A 15 33.700 -16.252 -17.345 1.00 0.00 H new ATOM 223 N SER A 16 33.166 -16.467 -13.425 1.00 0.00 N ATOM 224 CA SER A 16 34.322 -16.186 -12.550 1.00 0.00 C ATOM 225 C SER A 16 34.101 -16.726 -11.133 1.00 0.00 C ATOM 226 O SER A 16 32.966 -16.777 -10.670 1.00 0.00 O ATOM 227 CB SER A 16 34.577 -14.674 -12.547 1.00 0.00 C ATOM 228 OG SER A 16 35.229 -14.255 -11.360 1.00 0.00 O ATOM 0 H SER A 16 32.290 -16.115 -13.039 1.00 0.00 H new ATOM 0 HA SER A 16 35.202 -16.699 -12.937 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.186 -14.406 -13.411 1.00 0.00 H new ATOM 0 HB3 SER A 16 33.629 -14.145 -12.648 1.00 0.00 H new ATOM 0 HG SER A 16 35.905 -13.580 -11.579 1.00 0.00 H new ATOM 234 N SER A 17 35.165 -17.069 -10.401 1.00 0.00 N ATOM 235 CA SER A 17 35.076 -17.542 -9.006 1.00 0.00 C ATOM 236 C SER A 17 34.418 -16.522 -8.060 1.00 0.00 C ATOM 237 O SER A 17 33.637 -16.902 -7.184 1.00 0.00 O ATOM 238 CB SER A 17 36.474 -17.901 -8.492 1.00 0.00 C ATOM 239 OG SER A 17 37.358 -16.794 -8.614 1.00 0.00 O ATOM 0 H SER A 17 36.120 -17.028 -10.757 1.00 0.00 H new ATOM 0 HA SER A 17 34.435 -18.423 -9.012 1.00 0.00 H new ATOM 0 HB2 SER A 17 36.414 -18.211 -7.449 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.866 -18.749 -9.054 1.00 0.00 H new ATOM 0 HG SER A 17 38.244 -17.044 -8.279 1.00 0.00 H new ATOM 245 N ILE A 18 34.672 -15.226 -8.277 1.00 0.00 N ATOM 246 CA ILE A 18 34.000 -14.097 -7.605 1.00 0.00 C ATOM 247 C ILE A 18 32.766 -13.627 -8.383 1.00 0.00 C ATOM 248 O ILE A 18 31.729 -13.375 -7.780 1.00 0.00 O ATOM 249 CB ILE A 18 34.973 -12.921 -7.321 1.00 0.00 C ATOM 250 CG1 ILE A 18 36.073 -12.808 -8.397 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.569 -13.051 -5.909 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.827 -11.489 -8.461 1.00 0.00 C ATOM 0 H ILE A 18 35.376 -14.919 -8.949 1.00 0.00 H new ATOM 0 HA ILE A 18 33.657 -14.467 -6.639 1.00 0.00 H new ATOM 0 HB ILE A 18 34.402 -11.994 -7.366 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.796 -13.607 -8.231 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.617 -12.988 -9.371 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.249 -12.220 -5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.766 -13.034 -5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.115 -13.991 -5.830 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.572 -11.534 -9.255 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.127 -10.679 -8.665 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.324 -11.307 -7.508 1.00 0.00 H new ATOM 264 N GLY A 19 32.810 -13.543 -9.716 1.00 0.00 N ATOM 265 CA GLY A 19 31.667 -13.039 -10.498 1.00 0.00 C ATOM 266 C GLY A 19 30.438 -13.961 -10.481 1.00 0.00 C ATOM 267 O GLY A 19 29.305 -13.481 -10.525 1.00 0.00 O ATOM 0 H GLY A 19 33.617 -13.815 -10.277 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.379 -12.061 -10.111 1.00 0.00 H new ATOM 0 HA3 GLY A 19 31.984 -12.893 -11.531 1.00 0.00 H new ATOM 271 N HIS A 20 30.635 -15.275 -10.335 1.00 0.00 N ATOM 272 CA HIS A 20 29.550 -16.242 -10.108 1.00 0.00 C ATOM 273 C HIS A 20 28.913 -16.053 -8.722 1.00 0.00 C ATOM 274 O HIS A 20 27.694 -16.131 -8.582 1.00 0.00 O ATOM 275 CB HIS A 20 30.076 -17.675 -10.262 1.00 0.00 C ATOM 276 CG HIS A 20 29.003 -18.724 -10.093 1.00 0.00 C ATOM 277 ND1 HIS A 20 28.047 -19.071 -11.053 1.00 0.00 N ATOM 278 CD2 HIS A 20 28.809 -19.490 -8.979 1.00 0.00 C ATOM 279 CE1 HIS A 20 27.299 -20.038 -10.494 1.00 0.00 C ATOM 280 NE2 HIS A 20 27.735 -20.311 -9.251 1.00 0.00 N ATOM 0 H HIS A 20 31.560 -15.704 -10.371 1.00 0.00 H new ATOM 0 HA HIS A 20 28.779 -16.064 -10.857 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.530 -17.785 -11.247 1.00 0.00 H new ATOM 0 HB3 HIS A 20 30.862 -17.847 -9.527 1.00 0.00 H new ATOM 0 HD2 HIS A 20 29.384 -19.459 -8.065 1.00 0.00 H new ATOM 0 HE1 HIS A 20 26.465 -20.527 -10.975 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.339 -21.006 -8.618 1.00 0.00 H new ATOM 288 N ASP A 21 29.717 -15.729 -7.703 1.00 0.00 N ATOM 289 CA ASP A 21 29.213 -15.451 -6.358 1.00 0.00 C ATOM 290 C ASP A 21 28.497 -14.095 -6.302 1.00 0.00 C ATOM 291 O ASP A 21 27.477 -13.991 -5.621 1.00 0.00 O ATOM 292 CB ASP A 21 30.350 -15.533 -5.325 1.00 0.00 C ATOM 293 CG ASP A 21 30.780 -16.968 -4.948 1.00 0.00 C ATOM 294 OD1 ASP A 21 30.177 -17.964 -5.420 1.00 0.00 O ATOM 295 OD2 ASP A 21 31.710 -17.103 -4.116 1.00 0.00 O ATOM 0 H ASP A 21 30.731 -15.653 -7.789 1.00 0.00 H new ATOM 0 HA ASP A 21 28.477 -16.215 -6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.217 -15.000 -5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.038 -15.013 -4.420 1.00 0.00 H new ATOM 300 N PHE A 22 28.956 -13.071 -7.045 1.00 0.00 N ATOM 301 CA PHE A 22 28.266 -11.775 -7.132 1.00 0.00 C ATOM 302 C PHE A 22 26.822 -11.949 -7.589 1.00 0.00 C ATOM 303 O PHE A 22 25.937 -11.344 -6.999 1.00 0.00 O ATOM 304 CB PHE A 22 28.997 -10.822 -8.088 1.00 0.00 C ATOM 305 CG PHE A 22 28.387 -9.427 -8.156 1.00 0.00 C ATOM 306 CD1 PHE A 22 28.889 -8.369 -7.373 1.00 0.00 C ATOM 307 CD2 PHE A 22 27.283 -9.192 -8.994 1.00 0.00 C ATOM 308 CE1 PHE A 22 28.317 -7.086 -7.462 1.00 0.00 C ATOM 309 CE2 PHE A 22 26.689 -7.922 -9.065 1.00 0.00 C ATOM 310 CZ PHE A 22 27.219 -6.863 -8.310 1.00 0.00 C ATOM 0 H PHE A 22 29.811 -13.120 -7.598 1.00 0.00 H new ATOM 0 HA PHE A 22 28.268 -11.341 -6.132 1.00 0.00 H new ATOM 0 HB2 PHE A 22 30.038 -10.738 -7.776 1.00 0.00 H new ATOM 0 HB3 PHE A 22 28.998 -11.256 -9.088 1.00 0.00 H new ATOM 0 HD1 PHE A 22 29.717 -8.543 -6.701 1.00 0.00 H new ATOM 0 HD2 PHE A 22 26.886 -10.000 -9.591 1.00 0.00 H new ATOM 0 HE1 PHE A 22 28.722 -6.273 -6.878 1.00 0.00 H new ATOM 0 HE2 PHE A 22 25.829 -7.760 -9.697 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.783 -5.878 -8.381 1.00 0.00 H new ATOM 320 N TYR A 23 26.570 -12.799 -8.592 1.00 0.00 N ATOM 321 CA TYR A 23 25.209 -13.088 -9.056 1.00 0.00 C ATOM 322 C TYR A 23 24.290 -13.524 -7.902 1.00 0.00 C ATOM 323 O TYR A 23 23.252 -12.900 -7.666 1.00 0.00 O ATOM 324 CB TYR A 23 25.239 -14.158 -10.161 1.00 0.00 C ATOM 325 CG TYR A 23 23.844 -14.571 -10.583 1.00 0.00 C ATOM 326 CD1 TYR A 23 23.267 -15.747 -10.066 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.091 -13.724 -11.411 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.929 -16.068 -10.363 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.745 -14.022 -11.682 1.00 0.00 C ATOM 330 CZ TYR A 23 21.159 -15.196 -11.165 1.00 0.00 C ATOM 331 OH TYR A 23 19.858 -15.479 -11.452 1.00 0.00 O ATOM 0 H TYR A 23 27.297 -13.302 -9.101 1.00 0.00 H new ATOM 0 HA TYR A 23 24.796 -12.166 -9.467 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.781 -13.773 -11.025 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.785 -15.032 -9.806 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.852 -16.404 -9.440 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.546 -12.843 -11.840 1.00 0.00 H new ATOM 0 HE1 TYR A 23 21.492 -16.978 -9.979 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.157 -13.349 -12.289 1.00 0.00 H new ATOM 0 HH TYR A 23 19.572 -14.951 -12.226 1.00 0.00 H new ATOM 341 N ARG A 24 24.709 -14.552 -7.148 1.00 0.00 N ATOM 342 CA ARG A 24 23.925 -15.142 -6.048 1.00 0.00 C ATOM 343 C ARG A 24 23.776 -14.172 -4.874 1.00 0.00 C ATOM 344 O ARG A 24 22.682 -13.991 -4.346 1.00 0.00 O ATOM 345 CB ARG A 24 24.559 -16.461 -5.574 1.00 0.00 C ATOM 346 CG ARG A 24 24.749 -17.469 -6.722 1.00 0.00 C ATOM 347 CD ARG A 24 25.075 -18.882 -6.221 1.00 0.00 C ATOM 348 NE ARG A 24 23.909 -19.520 -5.574 1.00 0.00 N ATOM 349 CZ ARG A 24 23.899 -20.659 -4.902 1.00 0.00 C ATOM 350 NH1 ARG A 24 24.977 -21.370 -4.722 1.00 0.00 N ATOM 351 NH2 ARG A 24 22.789 -21.109 -4.388 1.00 0.00 N ATOM 0 H ARG A 24 25.613 -15.004 -7.286 1.00 0.00 H new ATOM 0 HA ARG A 24 22.928 -15.350 -6.436 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.525 -16.252 -5.115 1.00 0.00 H new ATOM 0 HB3 ARG A 24 23.930 -16.907 -4.804 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.842 -17.502 -7.325 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.552 -17.125 -7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.407 -19.496 -7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 24 25.902 -18.834 -5.513 1.00 0.00 H new ATOM 0 HE ARG A 24 23.018 -19.030 -5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 24 25.867 -21.052 -5.105 1.00 0.00 H new ATOM 0 HH12 ARG A 24 24.930 -22.244 -4.198 1.00 0.00 H new ATOM 0 HH21 ARG A 24 21.923 -20.582 -4.503 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.786 -21.988 -3.871 1.00 0.00 H new ATOM 365 N ALA A 25 24.871 -13.512 -4.495 1.00 0.00 N ATOM 366 CA ALA A 25 24.883 -12.538 -3.409 1.00 0.00 C ATOM 367 C ALA A 25 24.041 -11.295 -3.731 1.00 0.00 C ATOM 368 O ALA A 25 23.280 -10.843 -2.883 1.00 0.00 O ATOM 369 CB ALA A 25 26.339 -12.169 -3.108 1.00 0.00 C ATOM 0 H ALA A 25 25.781 -13.641 -4.938 1.00 0.00 H new ATOM 0 HA ALA A 25 24.424 -12.984 -2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.370 -11.441 -2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.888 -13.064 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.797 -11.740 -3.999 1.00 0.00 H new ATOM 375 N PHE A 26 24.125 -10.757 -4.950 1.00 0.00 N ATOM 376 CA PHE A 26 23.309 -9.625 -5.384 1.00 0.00 C ATOM 377 C PHE A 26 21.821 -9.994 -5.346 1.00 0.00 C ATOM 378 O PHE A 26 21.039 -9.298 -4.704 1.00 0.00 O ATOM 379 CB PHE A 26 23.769 -9.167 -6.782 1.00 0.00 C ATOM 380 CG PHE A 26 22.981 -8.018 -7.396 1.00 0.00 C ATOM 381 CD1 PHE A 26 21.681 -8.232 -7.898 1.00 0.00 C ATOM 382 CD2 PHE A 26 23.555 -6.735 -7.502 1.00 0.00 C ATOM 383 CE1 PHE A 26 20.956 -7.178 -8.472 1.00 0.00 C ATOM 384 CE2 PHE A 26 22.835 -5.682 -8.101 1.00 0.00 C ATOM 385 CZ PHE A 26 21.532 -5.904 -8.580 1.00 0.00 C ATOM 0 H PHE A 26 24.766 -11.098 -5.667 1.00 0.00 H new ATOM 0 HA PHE A 26 23.442 -8.786 -4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.817 -8.872 -6.720 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.717 -10.020 -7.458 1.00 0.00 H new ATOM 0 HD1 PHE A 26 21.240 -9.216 -7.840 1.00 0.00 H new ATOM 0 HD2 PHE A 26 24.551 -6.558 -7.123 1.00 0.00 H new ATOM 0 HE1 PHE A 26 19.952 -7.348 -8.832 1.00 0.00 H new ATOM 0 HE2 PHE A 26 23.284 -4.704 -8.192 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.976 -5.095 -9.030 1.00 0.00 H new ATOM 395 N SER A 27 21.424 -11.107 -5.973 1.00 0.00 N ATOM 396 CA SER A 27 20.013 -11.521 -6.058 1.00 0.00 C ATOM 397 C SER A 27 19.405 -11.873 -4.690 1.00 0.00 C ATOM 398 O SER A 27 18.211 -11.651 -4.476 1.00 0.00 O ATOM 399 CB SER A 27 19.826 -12.681 -7.043 1.00 0.00 C ATOM 400 OG SER A 27 20.395 -13.887 -6.568 1.00 0.00 O ATOM 0 H SER A 27 22.069 -11.748 -6.436 1.00 0.00 H new ATOM 0 HA SER A 27 19.470 -10.653 -6.433 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.762 -12.831 -7.226 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.280 -12.420 -7.999 1.00 0.00 H new ATOM 0 HG SER A 27 21.087 -13.683 -5.905 1.00 0.00 H new ATOM 406 N ASP A 28 20.218 -12.339 -3.735 1.00 0.00 N ATOM 407 CA ASP A 28 19.809 -12.602 -2.351 1.00 0.00 C ATOM 408 C ASP A 28 19.387 -11.330 -1.586 1.00 0.00 C ATOM 409 O ASP A 28 18.490 -11.413 -0.742 1.00 0.00 O ATOM 410 CB ASP A 28 20.955 -13.302 -1.594 1.00 0.00 C ATOM 411 CG ASP A 28 20.996 -14.839 -1.731 1.00 0.00 C ATOM 412 OD1 ASP A 28 19.960 -15.478 -2.040 1.00 0.00 O ATOM 413 OD2 ASP A 28 22.062 -15.431 -1.432 1.00 0.00 O ATOM 0 H ASP A 28 21.201 -12.548 -3.907 1.00 0.00 H new ATOM 0 HA ASP A 28 18.931 -13.246 -2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.903 -12.897 -1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.876 -13.050 -0.536 1.00 0.00 H new ATOM 418 N LYS A 29 19.997 -10.162 -1.871 1.00 0.00 N ATOM 419 CA LYS A 29 19.637 -8.864 -1.251 1.00 0.00 C ATOM 420 C LYS A 29 18.967 -7.845 -2.195 1.00 0.00 C ATOM 421 O LYS A 29 18.612 -6.748 -1.761 1.00 0.00 O ATOM 422 CB LYS A 29 20.779 -8.264 -0.391 1.00 0.00 C ATOM 423 CG LYS A 29 22.231 -8.677 -0.702 1.00 0.00 C ATOM 424 CD LYS A 29 22.702 -9.998 -0.057 1.00 0.00 C ATOM 425 CE LYS A 29 22.697 -9.943 1.481 1.00 0.00 C ATOM 426 NZ LYS A 29 23.222 -11.200 2.093 1.00 0.00 N ATOM 0 H LYS A 29 20.760 -10.089 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 29 18.838 -9.117 -0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.719 -7.179 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.578 -8.518 0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.342 -8.762 -1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.895 -7.877 -0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.056 -10.810 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.709 -10.229 -0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.301 -9.099 1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.681 -9.767 1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.200 -11.117 3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.631 -12.003 1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.201 -11.356 1.779 1.00 0.00 H new ATOM 440 N TRP A 30 18.744 -8.199 -3.460 1.00 0.00 N ATOM 441 CA TRP A 30 18.084 -7.343 -4.451 1.00 0.00 C ATOM 442 C TRP A 30 16.627 -7.009 -4.074 1.00 0.00 C ATOM 443 O TRP A 30 15.833 -7.892 -3.733 1.00 0.00 O ATOM 444 CB TRP A 30 18.155 -7.985 -5.841 1.00 0.00 C ATOM 445 CG TRP A 30 17.512 -7.169 -6.918 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.455 -7.545 -7.672 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.830 -5.805 -7.331 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.102 -6.516 -8.523 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.911 -5.412 -8.348 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.794 -4.854 -6.934 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.949 -4.147 -8.947 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.829 -3.572 -7.513 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.911 -3.214 -8.517 1.00 0.00 C ATOM 0 H TRP A 30 19.022 -9.106 -3.834 1.00 0.00 H new ATOM 0 HA TRP A 30 18.624 -6.397 -4.467 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.200 -8.152 -6.100 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.675 -8.963 -5.804 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.962 -8.504 -7.617 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.338 -6.566 -9.197 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.516 -5.114 -6.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.249 -3.891 -9.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.568 -2.856 -7.184 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.944 -2.228 -8.956 1.00 0.00 H new ATOM 464 N GLU A 31 16.281 -5.723 -4.158 1.00 0.00 N ATOM 465 CA GLU A 31 14.937 -5.167 -3.959 1.00 0.00 C ATOM 466 C GLU A 31 14.848 -3.808 -4.681 1.00 0.00 C ATOM 467 O GLU A 31 15.795 -3.017 -4.622 1.00 0.00 O ATOM 468 CB GLU A 31 14.661 -5.004 -2.451 1.00 0.00 C ATOM 469 CG GLU A 31 13.229 -4.539 -2.155 1.00 0.00 C ATOM 470 CD GLU A 31 12.977 -4.486 -0.636 1.00 0.00 C ATOM 471 OE1 GLU A 31 12.500 -5.494 -0.057 1.00 0.00 O ATOM 472 OE2 GLU A 31 13.243 -3.433 -0.007 1.00 0.00 O ATOM 0 H GLU A 31 16.967 -5.001 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 31 14.186 -5.840 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.840 -5.955 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.365 -4.285 -2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.064 -3.554 -2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.517 -5.218 -2.623 1.00 0.00 H new ATOM 479 N SER A 32 13.735 -3.530 -5.372 1.00 0.00 N ATOM 480 CA SER A 32 13.569 -2.305 -6.176 1.00 0.00 C ATOM 481 C SER A 32 12.110 -1.840 -6.322 1.00 0.00 C ATOM 482 O SER A 32 11.171 -2.627 -6.178 1.00 0.00 O ATOM 483 CB SER A 32 14.206 -2.501 -7.556 1.00 0.00 C ATOM 484 OG SER A 32 13.560 -3.508 -8.318 1.00 0.00 O ATOM 0 H SER A 32 12.922 -4.146 -5.392 1.00 0.00 H new ATOM 0 HA SER A 32 14.078 -1.510 -5.631 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.174 -1.559 -8.104 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.257 -2.762 -7.433 1.00 0.00 H new ATOM 0 HG SER A 32 14.233 -4.056 -8.774 1.00 0.00 H new ATOM 490 N ASP A 33 11.924 -0.543 -6.608 1.00 0.00 N ATOM 491 CA ASP A 33 10.597 0.084 -6.776 1.00 0.00 C ATOM 492 C ASP A 33 10.089 0.097 -8.236 1.00 0.00 C ATOM 493 O ASP A 33 8.887 0.239 -8.477 1.00 0.00 O ATOM 494 CB ASP A 33 10.657 1.507 -6.203 1.00 0.00 C ATOM 495 CG ASP A 33 9.260 2.145 -6.088 1.00 0.00 C ATOM 496 OD1 ASP A 33 8.988 3.150 -6.788 1.00 0.00 O ATOM 497 OD2 ASP A 33 8.444 1.666 -5.263 1.00 0.00 O ATOM 0 H ASP A 33 12.697 0.111 -6.731 1.00 0.00 H new ATOM 0 HA ASP A 33 9.873 -0.523 -6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.125 1.482 -5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.287 2.128 -6.840 1.00 0.00 H new ATOM 502 N TYR A 34 10.993 -0.068 -9.212 1.00 0.00 N ATOM 503 CA TYR A 34 10.687 -0.157 -10.646 1.00 0.00 C ATOM 504 C TYR A 34 10.411 -1.614 -11.088 1.00 0.00 C ATOM 505 O TYR A 34 10.240 -2.517 -10.267 1.00 0.00 O ATOM 506 CB TYR A 34 11.808 0.538 -11.453 1.00 0.00 C ATOM 507 CG TYR A 34 13.062 -0.287 -11.686 1.00 0.00 C ATOM 508 CD1 TYR A 34 13.334 -0.832 -12.959 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.948 -0.535 -10.623 1.00 0.00 C ATOM 510 CE1 TYR A 34 14.441 -1.678 -13.144 1.00 0.00 C ATOM 511 CE2 TYR A 34 15.054 -1.387 -10.803 1.00 0.00 C ATOM 512 CZ TYR A 34 15.298 -1.969 -12.061 1.00 0.00 C ATOM 513 OH TYR A 34 16.362 -2.798 -12.234 1.00 0.00 O ATOM 0 H TYR A 34 11.991 -0.146 -9.018 1.00 0.00 H new ATOM 0 HA TYR A 34 9.758 0.374 -10.854 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.404 0.832 -12.422 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.090 1.454 -10.934 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.690 -0.598 -13.794 1.00 0.00 H new ATOM 0 HD2 TYR A 34 13.779 -0.069 -9.663 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.636 -2.106 -14.116 1.00 0.00 H new ATOM 0 HE2 TYR A 34 15.716 -1.594 -9.975 1.00 0.00 H new ATOM 0 HH TYR A 34 16.828 -2.914 -11.380 1.00 0.00 H new ATOM 523 N THR A 35 10.364 -1.858 -12.403 1.00 0.00 N ATOM 524 CA THR A 35 9.998 -3.150 -13.020 1.00 0.00 C ATOM 525 C THR A 35 11.082 -4.238 -12.880 1.00 0.00 C ATOM 526 O THR A 35 10.856 -5.378 -13.264 1.00 0.00 O ATOM 527 CB THR A 35 9.618 -2.947 -14.505 1.00 0.00 C ATOM 528 OG1 THR A 35 9.096 -1.645 -14.727 1.00 0.00 O ATOM 529 CG2 THR A 35 8.544 -3.930 -14.978 1.00 0.00 C ATOM 0 H THR A 35 10.586 -1.142 -13.094 1.00 0.00 H new ATOM 0 HA THR A 35 9.134 -3.518 -12.466 1.00 0.00 H new ATOM 0 HB THR A 35 10.542 -3.108 -15.061 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.865 -1.542 -15.674 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.316 -3.742 -16.027 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.909 -4.951 -14.863 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.642 -3.798 -14.381 1.00 0.00 H new ATOM 537 N GLY A 36 12.269 -3.927 -12.341 1.00 0.00 N ATOM 538 CA GLY A 36 13.289 -4.926 -11.973 1.00 0.00 C ATOM 539 C GLY A 36 13.878 -5.737 -13.128 1.00 0.00 C ATOM 540 O GLY A 36 14.369 -6.847 -12.931 1.00 0.00 O ATOM 0 H GLY A 36 12.553 -2.967 -12.145 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.104 -4.413 -11.462 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.849 -5.619 -11.256 1.00 0.00 H new ATOM 544 N ASN A 37 13.836 -5.209 -14.353 1.00 0.00 N ATOM 545 CA ASN A 37 14.302 -5.912 -15.554 1.00 0.00 C ATOM 546 C ASN A 37 15.819 -5.763 -15.768 1.00 0.00 C ATOM 547 O ASN A 37 16.269 -5.128 -16.719 1.00 0.00 O ATOM 548 CB ASN A 37 13.485 -5.477 -16.779 1.00 0.00 C ATOM 549 CG ASN A 37 11.987 -5.704 -16.671 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.193 -4.788 -16.806 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.550 -6.926 -16.451 1.00 0.00 N ATOM 0 H ASN A 37 13.475 -4.274 -14.543 1.00 0.00 H new ATOM 0 HA ASN A 37 14.133 -6.979 -15.407 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.664 -4.417 -16.957 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.856 -6.014 -17.652 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.548 -7.107 -16.394 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.214 -7.692 -16.338 1.00 0.00 H new ATOM 558 N LEU A 38 16.607 -6.346 -14.869 1.00 0.00 N ATOM 559 CA LEU A 38 18.078 -6.289 -14.874 1.00 0.00 C ATOM 560 C LEU A 38 18.766 -7.656 -14.946 1.00 0.00 C ATOM 561 O LEU A 38 18.241 -8.640 -14.434 1.00 0.00 O ATOM 562 CB LEU A 38 18.606 -5.470 -13.682 1.00 0.00 C ATOM 563 CG LEU A 38 18.695 -6.192 -12.318 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.238 -5.231 -11.274 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.362 -6.693 -11.773 1.00 0.00 C ATOM 0 H LEU A 38 16.235 -6.889 -14.090 1.00 0.00 H new ATOM 0 HA LEU A 38 18.341 -5.782 -15.802 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.601 -5.104 -13.937 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.966 -4.596 -13.561 1.00 0.00 H new ATOM 0 HG LEU A 38 19.337 -7.054 -12.499 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.302 -5.738 -10.311 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.230 -4.892 -11.572 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.572 -4.372 -11.189 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.523 -7.185 -10.814 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.684 -5.850 -11.639 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.925 -7.402 -12.476 1.00 0.00 H new ATOM 577 N THR A 39 19.973 -7.695 -15.513 1.00 0.00 N ATOM 578 CA THR A 39 20.850 -8.875 -15.539 1.00 0.00 C ATOM 579 C THR A 39 22.305 -8.509 -15.223 1.00 0.00 C ATOM 580 O THR A 39 22.696 -7.342 -15.292 1.00 0.00 O ATOM 581 CB THR A 39 20.718 -9.634 -16.863 1.00 0.00 C ATOM 582 OG1 THR A 39 21.275 -10.911 -16.660 1.00 0.00 O ATOM 583 CG2 THR A 39 21.408 -8.970 -18.050 1.00 0.00 C ATOM 0 H THR A 39 20.382 -6.886 -15.981 1.00 0.00 H new ATOM 0 HA THR A 39 20.521 -9.549 -14.748 1.00 0.00 H new ATOM 0 HB THR A 39 19.660 -9.661 -17.124 1.00 0.00 H new ATOM 0 HG1 THR A 39 22.113 -10.986 -17.162 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.261 -9.578 -18.943 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.982 -7.980 -18.211 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.475 -8.877 -17.846 1.00 0.00 H new ATOM 591 N ILE A 40 23.108 -9.503 -14.837 1.00 0.00 N ATOM 592 CA ILE A 40 24.474 -9.342 -14.317 1.00 0.00 C ATOM 593 C ILE A 40 25.445 -10.046 -15.261 1.00 0.00 C ATOM 594 O ILE A 40 25.305 -11.234 -15.536 1.00 0.00 O ATOM 595 CB ILE A 40 24.575 -9.927 -12.895 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.637 -9.179 -11.918 1.00 0.00 C ATOM 597 CG2 ILE A 40 26.020 -9.905 -12.350 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.382 -9.978 -10.641 1.00 0.00 C ATOM 0 H ILE A 40 22.817 -10.480 -14.878 1.00 0.00 H new ATOM 0 HA ILE A 40 24.727 -8.283 -14.262 1.00 0.00 H new ATOM 0 HB ILE A 40 24.262 -10.968 -12.968 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.076 -8.215 -11.660 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.688 -8.974 -12.413 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.036 -10.328 -11.345 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.664 -10.495 -13.003 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.381 -8.877 -12.317 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.719 -9.414 -9.985 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.917 -10.931 -10.895 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.328 -10.160 -10.131 1.00 0.00 H new ATOM 610 N ASN A 41 26.461 -9.315 -15.710 1.00 0.00 N ATOM 611 CA ASN A 41 27.456 -9.768 -16.673 1.00 0.00 C ATOM 612 C ASN A 41 28.844 -9.624 -16.033 1.00 0.00 C ATOM 613 O ASN A 41 29.071 -8.654 -15.309 1.00 0.00 O ATOM 614 CB ASN A 41 27.326 -8.930 -17.965 1.00 0.00 C ATOM 615 CG ASN A 41 25.889 -8.716 -18.443 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.370 -9.451 -19.270 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.217 -7.696 -17.946 1.00 0.00 N ATOM 0 H ASN A 41 26.619 -8.356 -15.401 1.00 0.00 H new ATOM 0 HA ASN A 41 27.305 -10.814 -16.940 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.789 -7.957 -17.799 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.890 -9.420 -18.759 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.260 -7.518 -18.252 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.654 -7.085 -17.256 1.00 0.00 H new ATOM 624 N GLU A 42 29.786 -10.531 -16.293 1.00 0.00 N ATOM 625 CA GLU A 42 31.187 -10.336 -15.889 1.00 0.00 C ATOM 626 C GLU A 42 32.190 -10.601 -17.021 1.00 0.00 C ATOM 627 O GLU A 42 31.920 -11.404 -17.919 1.00 0.00 O ATOM 628 CB GLU A 42 31.499 -11.127 -14.605 1.00 0.00 C ATOM 629 CG GLU A 42 31.739 -12.621 -14.815 1.00 0.00 C ATOM 630 CD GLU A 42 33.180 -13.032 -15.138 1.00 0.00 C ATOM 631 OE1 GLU A 42 33.317 -14.171 -15.632 1.00 0.00 O ATOM 632 OE2 GLU A 42 34.132 -12.273 -14.857 1.00 0.00 O ATOM 0 H GLU A 42 29.609 -11.409 -16.781 1.00 0.00 H new ATOM 0 HA GLU A 42 31.312 -9.278 -15.659 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.382 -10.694 -14.134 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.671 -11.001 -13.907 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.425 -13.149 -13.915 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.095 -12.962 -15.626 1.00 0.00 H new ATOM 639 N ARG A 43 33.355 -9.941 -16.961 1.00 0.00 N ATOM 640 CA ARG A 43 34.510 -10.233 -17.819 1.00 0.00 C ATOM 641 C ARG A 43 35.690 -10.714 -16.958 1.00 0.00 C ATOM 642 O ARG A 43 36.191 -9.923 -16.149 1.00 0.00 O ATOM 643 CB ARG A 43 34.872 -9.016 -18.691 1.00 0.00 C ATOM 644 CG ARG A 43 35.871 -9.347 -19.814 1.00 0.00 C ATOM 645 CD ARG A 43 35.220 -10.104 -20.981 1.00 0.00 C ATOM 646 NE ARG A 43 36.201 -10.386 -22.048 1.00 0.00 N ATOM 647 CZ ARG A 43 35.948 -10.881 -23.248 1.00 0.00 C ATOM 648 NH1 ARG A 43 34.743 -11.200 -23.629 1.00 0.00 N ATOM 649 NH2 ARG A 43 36.916 -11.067 -24.098 1.00 0.00 N ATOM 0 H ARG A 43 33.523 -9.178 -16.305 1.00 0.00 H new ATOM 0 HA ARG A 43 34.253 -11.038 -18.507 1.00 0.00 H new ATOM 0 HB2 ARG A 43 33.962 -8.610 -19.132 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.294 -8.236 -18.057 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.312 -8.423 -20.187 1.00 0.00 H new ATOM 0 HG3 ARG A 43 36.685 -9.947 -19.406 1.00 0.00 H new ATOM 0 HD2 ARG A 43 34.794 -11.040 -20.619 1.00 0.00 H new ATOM 0 HD3 ARG A 43 34.397 -9.515 -21.386 1.00 0.00 H new ATOM 0 HE ARG A 43 37.177 -10.177 -21.837 1.00 0.00 H new ATOM 0 HH11 ARG A 43 33.956 -11.070 -22.993 1.00 0.00 H new ATOM 0 HH12 ARG A 43 34.587 -11.579 -24.563 1.00 0.00 H new ATOM 0 HH21 ARG A 43 37.874 -10.831 -23.840 1.00 0.00 H new ATOM 0 HH22 ARG A 43 36.717 -11.449 -25.022 1.00 0.00 H new ATOM 663 N PRO A 44 36.157 -11.961 -17.148 1.00 0.00 N ATOM 664 CA PRO A 44 37.231 -12.535 -16.350 1.00 0.00 C ATOM 665 C PRO A 44 38.589 -12.018 -16.845 1.00 0.00 C ATOM 666 O PRO A 44 38.922 -12.135 -18.029 1.00 0.00 O ATOM 667 CB PRO A 44 37.054 -14.050 -16.492 1.00 0.00 C ATOM 668 CG PRO A 44 36.457 -14.213 -17.886 1.00 0.00 C ATOM 669 CD PRO A 44 35.582 -12.973 -18.024 1.00 0.00 C ATOM 0 HA PRO A 44 37.197 -12.253 -15.298 1.00 0.00 H new ATOM 0 HB2 PRO A 44 38.005 -14.575 -16.399 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.393 -14.450 -15.723 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.229 -14.251 -18.655 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.875 -15.131 -17.972 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.562 -12.626 -19.057 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.552 -13.191 -17.741 1.00 0.00 H new ATOM 677 N SER A 45 39.375 -11.444 -15.932 1.00 0.00 N ATOM 678 CA SER A 45 40.609 -10.713 -16.238 1.00 0.00 C ATOM 679 C SER A 45 41.672 -11.015 -15.180 1.00 0.00 C ATOM 680 O SER A 45 41.784 -10.317 -14.170 1.00 0.00 O ATOM 681 CB SER A 45 40.313 -9.203 -16.315 1.00 0.00 C ATOM 682 OG SER A 45 39.463 -8.909 -17.416 1.00 0.00 O ATOM 0 H SER A 45 39.167 -11.475 -14.934 1.00 0.00 H new ATOM 0 HA SER A 45 40.994 -11.036 -17.205 1.00 0.00 H new ATOM 0 HB2 SER A 45 39.843 -8.873 -15.389 1.00 0.00 H new ATOM 0 HB3 SER A 45 41.247 -8.650 -16.413 1.00 0.00 H new ATOM 0 HG SER A 45 39.287 -7.945 -17.445 1.00 0.00 H new ATOM 688 N ALA A 46 42.476 -12.057 -15.412 1.00 0.00 N ATOM 689 CA ALA A 46 43.386 -12.648 -14.418 1.00 0.00 C ATOM 690 C ALA A 46 44.506 -11.715 -13.904 1.00 0.00 C ATOM 691 O ALA A 46 45.141 -12.009 -12.887 1.00 0.00 O ATOM 692 CB ALA A 46 43.951 -13.947 -15.007 1.00 0.00 C ATOM 0 H ALA A 46 42.515 -12.526 -16.317 1.00 0.00 H new ATOM 0 HA ALA A 46 42.800 -12.844 -13.520 1.00 0.00 H new ATOM 0 HB1 ALA A 46 44.630 -14.407 -14.289 1.00 0.00 H new ATOM 0 HB2 ALA A 46 43.133 -14.634 -15.224 1.00 0.00 H new ATOM 0 HB3 ALA A 46 44.492 -13.724 -15.927 1.00 0.00 H new ATOM 698 N ARG A 47 44.693 -10.552 -14.546 1.00 0.00 N ATOM 699 CA ARG A 47 45.483 -9.416 -14.032 1.00 0.00 C ATOM 700 C ARG A 47 45.033 -8.927 -12.643 1.00 0.00 C ATOM 701 O ARG A 47 45.858 -8.394 -11.900 1.00 0.00 O ATOM 702 CB ARG A 47 45.457 -8.266 -15.064 1.00 0.00 C ATOM 703 CG ARG A 47 44.052 -7.669 -15.296 1.00 0.00 C ATOM 704 CD ARG A 47 44.015 -6.652 -16.446 1.00 0.00 C ATOM 705 NE ARG A 47 44.751 -5.410 -16.122 1.00 0.00 N ATOM 706 CZ ARG A 47 44.956 -4.382 -16.935 1.00 0.00 C ATOM 707 NH1 ARG A 47 44.514 -4.363 -18.164 1.00 0.00 N ATOM 708 NH2 ARG A 47 45.615 -3.336 -16.523 1.00 0.00 N ATOM 0 H ARG A 47 44.288 -10.368 -15.464 1.00 0.00 H new ATOM 0 HA ARG A 47 46.505 -9.770 -13.894 1.00 0.00 H new ATOM 0 HB2 ARG A 47 46.127 -7.474 -14.729 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.847 -8.633 -16.013 1.00 0.00 H new ATOM 0 HG2 ARG A 47 43.351 -8.476 -15.509 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.713 -7.186 -14.380 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.444 -7.103 -17.341 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.979 -6.407 -16.678 1.00 0.00 H new ATOM 0 HE ARG A 47 45.139 -5.337 -15.181 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.990 -5.158 -18.530 1.00 0.00 H new ATOM 0 HH12 ARG A 47 44.693 -3.553 -18.758 1.00 0.00 H new ATOM 0 HH21 ARG A 47 45.977 -3.304 -15.570 1.00 0.00 H new ATOM 0 HH22 ARG A 47 45.769 -2.549 -17.154 1.00 0.00 H new ATOM 722 N ALA A 48 43.747 -9.091 -12.299 1.00 0.00 N ATOM 723 CA ALA A 48 43.162 -8.585 -11.051 1.00 0.00 C ATOM 724 C ALA A 48 41.927 -9.349 -10.513 1.00 0.00 C ATOM 725 O ALA A 48 41.709 -9.338 -9.301 1.00 0.00 O ATOM 726 CB ALA A 48 42.812 -7.109 -11.287 1.00 0.00 C ATOM 0 H ALA A 48 43.077 -9.585 -12.888 1.00 0.00 H new ATOM 0 HA ALA A 48 43.908 -8.732 -10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.372 -6.690 -10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 48 43.717 -6.557 -11.540 1.00 0.00 H new ATOM 0 HB3 ALA A 48 42.098 -7.031 -12.107 1.00 0.00 H new ATOM 732 N GLY A 49 41.112 -9.998 -11.358 1.00 0.00 N ATOM 733 CA GLY A 49 39.858 -10.653 -10.945 1.00 0.00 C ATOM 734 C GLY A 49 38.789 -10.626 -12.042 1.00 0.00 C ATOM 735 O GLY A 49 38.967 -11.255 -13.087 1.00 0.00 O ATOM 0 H GLY A 49 41.305 -10.085 -12.356 1.00 0.00 H new ATOM 0 HA2 GLY A 49 40.066 -11.687 -10.671 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.471 -10.159 -10.054 1.00 0.00 H new ATOM 739 N SER A 50 37.688 -9.904 -11.822 1.00 0.00 N ATOM 740 CA SER A 50 36.599 -9.740 -12.799 1.00 0.00 C ATOM 741 C SER A 50 36.085 -8.302 -12.890 1.00 0.00 C ATOM 742 O SER A 50 35.952 -7.598 -11.887 1.00 0.00 O ATOM 743 CB SER A 50 35.421 -10.677 -12.505 1.00 0.00 C ATOM 744 OG SER A 50 34.985 -10.592 -11.160 1.00 0.00 O ATOM 0 H SER A 50 37.521 -9.407 -10.947 1.00 0.00 H new ATOM 0 HA SER A 50 37.039 -10.003 -13.761 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.592 -10.433 -13.169 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.714 -11.704 -12.725 1.00 0.00 H new ATOM 0 HG SER A 50 34.233 -11.205 -11.021 1.00 0.00 H new ATOM 750 N TRP A 51 35.708 -7.876 -14.099 1.00 0.00 N ATOM 751 CA TRP A 51 34.794 -6.744 -14.267 1.00 0.00 C ATOM 752 C TRP A 51 33.372 -7.241 -14.049 1.00 0.00 C ATOM 753 O TRP A 51 33.008 -8.246 -14.646 1.00 0.00 O ATOM 754 CB TRP A 51 34.919 -6.138 -15.672 1.00 0.00 C ATOM 755 CG TRP A 51 35.775 -4.922 -15.769 1.00 0.00 C ATOM 756 CD1 TRP A 51 37.016 -4.868 -16.300 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.454 -3.560 -15.351 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.492 -3.572 -16.230 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.564 -2.720 -15.666 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.332 -2.953 -14.745 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.562 -1.344 -15.393 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.323 -1.572 -14.468 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.430 -0.768 -14.793 1.00 0.00 C ATOM 0 H TRP A 51 36.021 -8.297 -14.974 1.00 0.00 H new ATOM 0 HA TRP A 51 35.046 -5.968 -13.544 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.319 -6.898 -16.343 1.00 0.00 H new ATOM 0 HB3 TRP A 51 33.921 -5.889 -16.032 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.553 -5.708 -16.715 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.414 -3.282 -16.555 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.471 -3.554 -14.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.419 -0.736 -15.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.457 -1.126 -14.001 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.410 0.291 -14.582 1.00 0.00 H new ATOM 774 N ILE A 52 32.563 -6.534 -13.263 1.00 0.00 N ATOM 775 CA ILE A 52 31.119 -6.763 -13.115 1.00 0.00 C ATOM 776 C ILE A 52 30.367 -5.611 -13.767 1.00 0.00 C ATOM 777 O ILE A 52 30.657 -4.451 -13.483 1.00 0.00 O ATOM 778 CB ILE A 52 30.724 -6.902 -11.628 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.536 -7.980 -10.884 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.219 -7.194 -11.490 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.453 -9.382 -11.498 1.00 0.00 C ATOM 0 H ILE A 52 32.901 -5.760 -12.691 1.00 0.00 H new ATOM 0 HA ILE A 52 30.854 -7.698 -13.608 1.00 0.00 H new ATOM 0 HB ILE A 52 30.958 -5.945 -11.161 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.581 -7.672 -10.855 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.189 -8.029 -9.852 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.962 -7.288 -10.435 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.648 -6.377 -11.931 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.980 -8.124 -12.006 1.00 0.00 H new ATOM 0 HD11 ILE A 52 32.055 -10.074 -10.908 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.416 -9.716 -11.502 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.830 -9.354 -12.521 1.00 0.00 H new ATOM 793 N THR A 53 29.369 -5.933 -14.588 1.00 0.00 N ATOM 794 CA THR A 53 28.582 -4.969 -15.368 1.00 0.00 C ATOM 795 C THR A 53 27.110 -5.364 -15.313 1.00 0.00 C ATOM 796 O THR A 53 26.723 -6.419 -15.815 1.00 0.00 O ATOM 797 CB THR A 53 29.089 -4.920 -16.821 1.00 0.00 C ATOM 798 OG1 THR A 53 30.463 -4.588 -16.837 1.00 0.00 O ATOM 799 CG2 THR A 53 28.384 -3.853 -17.656 1.00 0.00 C ATOM 0 H THR A 53 29.074 -6.898 -14.736 1.00 0.00 H new ATOM 0 HA THR A 53 28.695 -3.972 -14.943 1.00 0.00 H new ATOM 0 HB THR A 53 28.891 -5.906 -17.243 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.782 -4.560 -17.763 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.781 -3.864 -18.671 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.314 -4.060 -17.683 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.553 -2.872 -17.211 1.00 0.00 H new ATOM 807 N ILE A 54 26.272 -4.524 -14.709 1.00 0.00 N ATOM 808 CA ILE A 54 24.823 -4.744 -14.605 1.00 0.00 C ATOM 809 C ILE A 54 24.106 -3.927 -15.679 1.00 0.00 C ATOM 810 O ILE A 54 24.343 -2.726 -15.850 1.00 0.00 O ATOM 811 CB ILE A 54 24.324 -4.556 -13.153 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.795 -4.675 -12.951 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.859 -3.270 -12.508 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.947 -3.479 -13.411 1.00 0.00 C ATOM 0 H ILE A 54 26.581 -3.657 -14.270 1.00 0.00 H new ATOM 0 HA ILE A 54 24.572 -5.783 -14.818 1.00 0.00 H new ATOM 0 HB ILE A 54 24.750 -5.414 -12.633 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.449 -5.562 -13.481 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.603 -4.842 -11.891 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.478 -3.188 -11.490 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.948 -3.300 -12.486 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.531 -2.408 -13.089 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.894 -3.683 -13.216 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.250 -2.586 -12.864 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.094 -3.318 -14.479 1.00 0.00 H new ATOM 826 N THR A 55 23.222 -4.600 -16.412 1.00 0.00 N ATOM 827 CA THR A 55 22.451 -4.031 -17.522 1.00 0.00 C ATOM 828 C THR A 55 20.949 -4.122 -17.248 1.00 0.00 C ATOM 829 O THR A 55 20.467 -5.127 -16.729 1.00 0.00 O ATOM 830 CB THR A 55 22.826 -4.708 -18.855 1.00 0.00 C ATOM 831 OG1 THR A 55 22.773 -6.112 -18.732 1.00 0.00 O ATOM 832 CG2 THR A 55 24.259 -4.402 -19.295 1.00 0.00 C ATOM 0 H THR A 55 23.014 -5.585 -16.248 1.00 0.00 H new ATOM 0 HA THR A 55 22.705 -2.974 -17.607 1.00 0.00 H new ATOM 0 HB THR A 55 22.111 -4.319 -19.580 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.012 -6.525 -19.588 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.465 -4.906 -20.239 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.378 -3.326 -19.424 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.956 -4.756 -18.535 1.00 0.00 H new ATOM 840 N VAL A 56 20.195 -3.071 -17.589 1.00 0.00 N ATOM 841 CA VAL A 56 18.720 -3.030 -17.548 1.00 0.00 C ATOM 842 C VAL A 56 18.197 -3.221 -18.968 1.00 0.00 C ATOM 843 O VAL A 56 18.473 -2.410 -19.848 1.00 0.00 O ATOM 844 CB VAL A 56 18.210 -1.744 -16.857 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.716 -1.474 -17.076 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.425 -1.912 -15.352 1.00 0.00 C ATOM 0 H VAL A 56 20.603 -2.194 -17.912 1.00 0.00 H new ATOM 0 HA VAL A 56 18.329 -3.842 -16.935 1.00 0.00 H new ATOM 0 HB VAL A 56 18.760 -0.908 -17.288 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.433 -0.556 -16.561 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.518 -1.368 -18.143 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.134 -2.306 -16.680 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.075 -1.020 -14.833 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.867 -2.780 -14.999 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.486 -2.056 -15.150 1.00 0.00 H new ATOM 856 N ASN A 57 17.480 -4.324 -19.189 1.00 0.00 N ATOM 857 CA ASN A 57 17.059 -4.886 -20.485 1.00 0.00 C ATOM 858 C ASN A 57 18.230 -5.149 -21.458 1.00 0.00 C ATOM 859 O ASN A 57 18.610 -6.298 -21.684 1.00 0.00 O ATOM 860 CB ASN A 57 15.932 -4.044 -21.115 1.00 0.00 C ATOM 861 CG ASN A 57 14.679 -4.000 -20.258 1.00 0.00 C ATOM 862 OD1 ASN A 57 13.968 -4.983 -20.107 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.373 -2.867 -19.669 1.00 0.00 N ATOM 0 H ASN A 57 17.151 -4.895 -18.411 1.00 0.00 H new ATOM 0 HA ASN A 57 16.651 -5.875 -20.277 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.291 -3.028 -21.277 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.683 -4.454 -22.094 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.540 -2.805 -19.083 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.968 -2.049 -19.797 1.00 0.00 H new ATOM 870 N GLN A 58 18.796 -4.076 -22.016 1.00 0.00 N ATOM 871 CA GLN A 58 19.905 -4.069 -22.983 1.00 0.00 C ATOM 872 C GLN A 58 20.898 -2.900 -22.780 1.00 0.00 C ATOM 873 O GLN A 58 21.789 -2.695 -23.606 1.00 0.00 O ATOM 874 CB GLN A 58 19.317 -4.090 -24.408 1.00 0.00 C ATOM 875 CG GLN A 58 18.401 -2.893 -24.725 1.00 0.00 C ATOM 876 CD GLN A 58 17.982 -2.872 -26.194 1.00 0.00 C ATOM 877 OE1 GLN A 58 16.902 -3.310 -26.572 1.00 0.00 O ATOM 878 NE2 GLN A 58 18.818 -2.377 -27.085 1.00 0.00 N ATOM 0 H GLN A 58 18.477 -3.133 -21.795 1.00 0.00 H new ATOM 0 HA GLN A 58 20.504 -4.964 -22.818 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.136 -4.109 -25.128 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.752 -5.012 -24.544 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.513 -2.938 -24.094 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.918 -1.965 -24.481 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.721 -2.008 -26.787 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.562 -2.363 -28.072 1.00 0.00 H new ATOM 887 N ASP A 59 20.754 -2.124 -21.698 1.00 0.00 N ATOM 888 CA ASP A 59 21.510 -0.887 -21.439 1.00 0.00 C ATOM 889 C ASP A 59 22.335 -0.994 -20.151 1.00 0.00 C ATOM 890 O ASP A 59 21.805 -1.371 -19.107 1.00 0.00 O ATOM 891 CB ASP A 59 20.536 0.297 -21.344 1.00 0.00 C ATOM 892 CG ASP A 59 19.934 0.660 -22.711 1.00 0.00 C ATOM 893 OD1 ASP A 59 20.680 1.174 -23.580 1.00 0.00 O ATOM 894 OD2 ASP A 59 18.713 0.458 -22.916 1.00 0.00 O ATOM 0 H ASP A 59 20.090 -2.344 -20.956 1.00 0.00 H new ATOM 0 HA ASP A 59 22.203 -0.729 -22.265 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.734 0.051 -20.648 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.057 1.163 -20.936 1.00 0.00 H new ATOM 899 N VAL A 60 23.626 -0.648 -20.186 1.00 0.00 N ATOM 900 CA VAL A 60 24.465 -0.600 -18.973 1.00 0.00 C ATOM 901 C VAL A 60 24.115 0.611 -18.104 1.00 0.00 C ATOM 902 O VAL A 60 23.909 1.714 -18.612 1.00 0.00 O ATOM 903 CB VAL A 60 25.973 -0.685 -19.306 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.486 0.453 -20.197 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.830 -0.724 -18.036 1.00 0.00 C ATOM 0 H VAL A 60 24.119 -0.395 -21.042 1.00 0.00 H new ATOM 0 HA VAL A 60 24.241 -1.487 -18.381 1.00 0.00 H new ATOM 0 HB VAL A 60 26.071 -1.616 -19.865 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.552 0.318 -20.382 1.00 0.00 H new ATOM 0 HG12 VAL A 60 25.949 0.443 -21.145 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.323 1.408 -19.698 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.883 -0.784 -18.310 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.657 0.180 -17.453 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.560 -1.597 -17.441 1.00 0.00 H new ATOM 915 N ILE A 61 24.065 0.393 -16.785 1.00 0.00 N ATOM 916 CA ILE A 61 23.796 1.448 -15.792 1.00 0.00 C ATOM 917 C ILE A 61 24.819 1.514 -14.655 1.00 0.00 C ATOM 918 O ILE A 61 25.024 2.590 -14.095 1.00 0.00 O ATOM 919 CB ILE A 61 22.377 1.310 -15.212 1.00 0.00 C ATOM 920 CG1 ILE A 61 22.004 -0.120 -14.785 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.349 1.876 -16.201 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.867 -0.107 -13.763 1.00 0.00 C ATOM 0 H ILE A 61 24.211 -0.527 -16.370 1.00 0.00 H new ATOM 0 HA ILE A 61 23.884 2.386 -16.340 1.00 0.00 H new ATOM 0 HB ILE A 61 22.365 1.893 -14.291 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.705 -0.698 -15.659 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.876 -0.615 -14.358 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.348 1.774 -15.783 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.561 2.930 -16.383 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.407 1.327 -17.141 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.623 -1.130 -13.478 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.178 0.452 -12.880 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.989 0.367 -14.202 1.00 0.00 H new ATOM 934 N PHE A 62 25.472 0.397 -14.318 1.00 0.00 N ATOM 935 CA PHE A 62 26.536 0.367 -13.315 1.00 0.00 C ATOM 936 C PHE A 62 27.545 -0.737 -13.628 1.00 0.00 C ATOM 937 O PHE A 62 27.191 -1.799 -14.144 1.00 0.00 O ATOM 938 CB PHE A 62 25.927 0.234 -11.905 1.00 0.00 C ATOM 939 CG PHE A 62 26.953 -0.014 -10.806 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.806 1.033 -10.410 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.123 -1.296 -10.242 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.827 0.799 -9.473 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.156 -1.533 -9.313 1.00 0.00 C ATOM 944 CZ PHE A 62 29.003 -0.484 -8.928 1.00 0.00 C ATOM 0 H PHE A 62 25.275 -0.513 -14.735 1.00 0.00 H new ATOM 0 HA PHE A 62 27.087 1.307 -13.344 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.374 1.144 -11.672 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.207 -0.585 -11.907 1.00 0.00 H new ATOM 0 HD1 PHE A 62 27.675 2.020 -10.828 1.00 0.00 H new ATOM 0 HD2 PHE A 62 26.458 -2.099 -10.523 1.00 0.00 H new ATOM 0 HE1 PHE A 62 29.477 1.607 -9.171 1.00 0.00 H new ATOM 0 HE2 PHE A 62 28.295 -2.521 -8.898 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.791 -0.662 -8.212 1.00 0.00 H new ATOM 954 N GLN A 63 28.811 -0.477 -13.314 1.00 0.00 N ATOM 955 CA GLN A 63 29.897 -1.446 -13.439 1.00 0.00 C ATOM 956 C GLN A 63 31.053 -1.145 -12.473 1.00 0.00 C ATOM 957 O GLN A 63 31.342 0.014 -12.173 1.00 0.00 O ATOM 958 CB GLN A 63 30.363 -1.541 -14.905 1.00 0.00 C ATOM 959 CG GLN A 63 30.876 -0.231 -15.526 1.00 0.00 C ATOM 960 CD GLN A 63 31.201 -0.401 -17.010 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.607 0.223 -17.880 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.148 -1.246 -17.362 1.00 0.00 N ATOM 0 H GLN A 63 29.117 0.429 -12.959 1.00 0.00 H new ATOM 0 HA GLN A 63 29.515 -2.425 -13.148 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.156 -2.287 -14.968 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.532 -1.907 -15.508 1.00 0.00 H new ATOM 0 HG2 GLN A 63 30.124 0.549 -15.405 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.767 0.100 -14.993 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.652 -1.773 -16.649 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.377 -1.373 -18.348 1.00 0.00 H new ATOM 971 N THR A 64 31.716 -2.197 -11.985 1.00 0.00 N ATOM 972 CA THR A 64 32.814 -2.119 -11.004 1.00 0.00 C ATOM 973 C THR A 64 33.757 -3.323 -11.107 1.00 0.00 C ATOM 974 O THR A 64 33.405 -4.345 -11.698 1.00 0.00 O ATOM 975 CB THR A 64 32.237 -1.987 -9.586 1.00 0.00 C ATOM 976 OG1 THR A 64 33.277 -1.713 -8.672 1.00 0.00 O ATOM 977 CG2 THR A 64 31.478 -3.231 -9.109 1.00 0.00 C ATOM 0 H THR A 64 31.502 -3.154 -12.266 1.00 0.00 H new ATOM 0 HA THR A 64 33.408 -1.233 -11.228 1.00 0.00 H new ATOM 0 HB THR A 64 31.518 -1.169 -9.628 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.905 -1.628 -7.769 1.00 0.00 H new ATOM 0 HG21 THR A 64 31.100 -3.062 -8.100 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.643 -3.428 -9.781 1.00 0.00 H new ATOM 0 HG23 THR A 64 32.151 -4.089 -9.106 1.00 0.00 H new ATOM 985 N PHE A 65 34.955 -3.223 -10.532 1.00 0.00 N ATOM 986 CA PHE A 65 35.939 -4.306 -10.511 1.00 0.00 C ATOM 987 C PHE A 65 35.852 -5.114 -9.202 1.00 0.00 C ATOM 988 O PHE A 65 35.870 -4.539 -8.110 1.00 0.00 O ATOM 989 CB PHE A 65 37.342 -3.731 -10.759 1.00 0.00 C ATOM 990 CG PHE A 65 38.208 -4.645 -11.599 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.471 -4.322 -12.943 1.00 0.00 C ATOM 992 CD2 PHE A 65 38.709 -5.841 -11.059 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.216 -5.202 -13.747 1.00 0.00 C ATOM 994 CE2 PHE A 65 39.420 -6.738 -11.873 1.00 0.00 C ATOM 995 CZ PHE A 65 39.672 -6.421 -13.220 1.00 0.00 C ATOM 0 H PHE A 65 35.274 -2.376 -10.061 1.00 0.00 H new ATOM 0 HA PHE A 65 35.719 -5.009 -11.314 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.252 -2.765 -11.256 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.831 -3.552 -9.802 1.00 0.00 H new ATOM 0 HD1 PHE A 65 38.100 -3.396 -13.358 1.00 0.00 H new ATOM 0 HD2 PHE A 65 38.547 -6.071 -10.016 1.00 0.00 H new ATOM 0 HE1 PHE A 65 39.438 -4.940 -14.771 1.00 0.00 H new ATOM 0 HE2 PHE A 65 39.774 -7.673 -11.464 1.00 0.00 H new ATOM 0 HZ PHE A 65 40.215 -7.113 -13.847 1.00 0.00 H new ATOM 1005 N LEU A 66 35.779 -6.444 -9.306 1.00 0.00 N ATOM 1006 CA LEU A 66 35.883 -7.381 -8.186 1.00 0.00 C ATOM 1007 C LEU A 66 37.271 -8.033 -8.119 1.00 0.00 C ATOM 1008 O LEU A 66 37.854 -8.405 -9.139 1.00 0.00 O ATOM 1009 CB LEU A 66 34.803 -8.466 -8.284 1.00 0.00 C ATOM 1010 CG LEU A 66 33.428 -8.127 -7.707 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.566 -9.379 -7.848 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.451 -7.794 -6.213 1.00 0.00 C ATOM 0 H LEU A 66 35.641 -6.912 -10.202 1.00 0.00 H new ATOM 0 HA LEU A 66 35.733 -6.808 -7.271 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.676 -8.724 -9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.172 -9.359 -7.779 1.00 0.00 H new ATOM 0 HG LEU A 66 33.058 -7.253 -8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.571 -9.183 -7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.486 -9.649 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 66 33.024 -10.200 -7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.440 -7.564 -5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.834 -8.649 -5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 66 34.095 -6.931 -6.042 1.00 0.00 H new ATOM 1024 N PHE A 67 37.752 -8.241 -6.891 1.00 0.00 N ATOM 1025 CA PHE A 67 39.062 -8.841 -6.597 1.00 0.00 C ATOM 1026 C PHE A 67 38.917 -10.069 -5.667 1.00 0.00 C ATOM 1027 O PHE A 67 38.227 -9.978 -4.651 1.00 0.00 O ATOM 1028 CB PHE A 67 39.979 -7.782 -5.963 1.00 0.00 C ATOM 1029 CG PHE A 67 40.166 -6.497 -6.755 1.00 0.00 C ATOM 1030 CD1 PHE A 67 39.231 -5.450 -6.630 1.00 0.00 C ATOM 1031 CD2 PHE A 67 41.297 -6.322 -7.574 1.00 0.00 C ATOM 1032 CE1 PHE A 67 39.411 -4.249 -7.338 1.00 0.00 C ATOM 1033 CE2 PHE A 67 41.487 -5.112 -8.267 1.00 0.00 C ATOM 1034 CZ PHE A 67 40.538 -4.081 -8.160 1.00 0.00 C ATOM 0 H PHE A 67 37.231 -7.992 -6.050 1.00 0.00 H new ATOM 0 HA PHE A 67 39.507 -9.188 -7.529 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.579 -7.525 -4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.959 -8.230 -5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 67 38.372 -5.571 -5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 67 42.021 -7.118 -7.671 1.00 0.00 H new ATOM 0 HE1 PHE A 67 38.683 -3.456 -7.250 1.00 0.00 H new ATOM 0 HE2 PHE A 67 42.364 -4.975 -8.882 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.675 -3.161 -8.709 1.00 0.00 H new ATOM 1044 N PRO A 68 39.564 -11.215 -5.976 1.00 0.00 N ATOM 1045 CA PRO A 68 39.400 -12.470 -5.228 1.00 0.00 C ATOM 1046 C PRO A 68 40.222 -12.536 -3.925 1.00 0.00 C ATOM 1047 O PRO A 68 39.799 -13.191 -2.972 1.00 0.00 O ATOM 1048 CB PRO A 68 39.823 -13.564 -6.214 1.00 0.00 C ATOM 1049 CG PRO A 68 40.882 -12.863 -7.062 1.00 0.00 C ATOM 1050 CD PRO A 68 40.334 -11.453 -7.187 1.00 0.00 C ATOM 0 HA PRO A 68 38.371 -12.578 -4.885 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.228 -14.436 -5.701 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.985 -13.910 -6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.860 -12.876 -6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 68 41.000 -13.339 -8.036 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.142 -10.728 -7.285 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.708 -11.355 -8.074 1.00 0.00 H new ATOM 1058 N LEU A 69 41.383 -11.859 -3.867 1.00 0.00 N ATOM 1059 CA LEU A 69 42.268 -11.837 -2.684 1.00 0.00 C ATOM 1060 C LEU A 69 41.885 -10.749 -1.662 1.00 0.00 C ATOM 1061 O LEU A 69 42.324 -10.808 -0.509 1.00 0.00 O ATOM 1062 CB LEU A 69 43.741 -11.683 -3.136 1.00 0.00 C ATOM 1063 CG LEU A 69 44.525 -12.982 -3.426 1.00 0.00 C ATOM 1064 CD1 LEU A 69 44.704 -13.846 -2.173 1.00 0.00 C ATOM 1065 CD2 LEU A 69 43.898 -13.837 -4.528 1.00 0.00 C ATOM 0 H LEU A 69 41.738 -11.306 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 69 42.143 -12.789 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.757 -11.070 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 69 44.276 -11.130 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 69 45.500 -12.639 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 69 45.261 -14.747 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 69 45.252 -13.283 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 69 43.726 -14.123 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 69 44.500 -14.733 -4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 69 42.888 -14.123 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 69 43.859 -13.265 -5.455 1.00 0.00 H new ATOM 1077 N LYS A 70 41.072 -9.763 -2.071 1.00 0.00 N ATOM 1078 CA LYS A 70 40.587 -8.662 -1.213 1.00 0.00 C ATOM 1079 C LYS A 70 39.269 -9.024 -0.507 1.00 0.00 C ATOM 1080 O LYS A 70 38.560 -9.944 -0.920 1.00 0.00 O ATOM 1081 CB LYS A 70 40.452 -7.356 -2.022 1.00 0.00 C ATOM 1082 CG LYS A 70 41.750 -6.927 -2.728 1.00 0.00 C ATOM 1083 CD LYS A 70 41.589 -5.549 -3.389 1.00 0.00 C ATOM 1084 CE LYS A 70 42.829 -5.207 -4.228 1.00 0.00 C ATOM 1085 NZ LYS A 70 42.678 -3.891 -4.912 1.00 0.00 N ATOM 0 H LYS A 70 40.724 -9.704 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 70 41.331 -8.501 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 70 39.668 -7.481 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 70 40.132 -6.557 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 70 42.567 -6.895 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 70 42.019 -7.667 -3.482 1.00 0.00 H new ATOM 0 HD2 LYS A 70 40.702 -5.544 -4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 70 41.439 -4.787 -2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 70 43.710 -5.186 -3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 70 42.994 -5.988 -4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 43.532 -3.690 -5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 41.851 -3.920 -5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 42.545 -3.144 -4.201 1.00 0.00 H new ATOM 1099 N ARG A 71 38.925 -8.262 0.542 1.00 0.00 N ATOM 1100 CA ARG A 71 37.724 -8.462 1.392 1.00 0.00 C ATOM 1101 C ARG A 71 36.568 -7.483 1.140 1.00 0.00 C ATOM 1102 O ARG A 71 35.652 -7.383 1.954 1.00 0.00 O ATOM 1103 CB ARG A 71 38.142 -8.602 2.871 1.00 0.00 C ATOM 1104 CG ARG A 71 38.737 -7.331 3.503 1.00 0.00 C ATOM 1105 CD ARG A 71 39.139 -7.597 4.960 1.00 0.00 C ATOM 1106 NE ARG A 71 39.724 -6.394 5.589 1.00 0.00 N ATOM 1107 CZ ARG A 71 40.205 -6.302 6.817 1.00 0.00 C ATOM 1108 NH1 ARG A 71 40.204 -7.315 7.638 1.00 0.00 N ATOM 1109 NH2 ARG A 71 40.703 -5.178 7.249 1.00 0.00 N ATOM 0 H ARG A 71 39.487 -7.464 0.838 1.00 0.00 H new ATOM 0 HA ARG A 71 37.272 -9.405 1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 71 37.271 -8.905 3.452 1.00 0.00 H new ATOM 0 HB3 ARG A 71 38.874 -9.406 2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 71 39.607 -7.006 2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 71 38.008 -6.521 3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 71 38.265 -7.917 5.527 1.00 0.00 H new ATOM 0 HD3 ARG A 71 39.859 -8.415 4.996 1.00 0.00 H new ATOM 0 HE ARG A 71 39.760 -5.550 5.018 1.00 0.00 H new ATOM 0 HH11 ARG A 71 39.824 -8.213 7.339 1.00 0.00 H new ATOM 0 HH12 ARG A 71 40.583 -7.209 8.579 1.00 0.00 H new ATOM 0 HH21 ARG A 71 40.724 -4.361 6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 71 41.072 -5.115 8.198 1.00 0.00 H new ATOM 1123 N ASP A 72 36.586 -6.772 0.012 1.00 0.00 N ATOM 1124 CA ASP A 72 35.526 -5.826 -0.375 1.00 0.00 C ATOM 1125 C ASP A 72 34.278 -6.482 -0.969 1.00 0.00 C ATOM 1126 O ASP A 72 33.246 -5.823 -1.007 1.00 0.00 O ATOM 1127 CB ASP A 72 36.057 -4.769 -1.350 1.00 0.00 C ATOM 1128 CG ASP A 72 36.309 -5.329 -2.766 1.00 0.00 C ATOM 1129 OD1 ASP A 72 37.420 -5.854 -3.008 1.00 0.00 O ATOM 1130 OD2 ASP A 72 35.390 -5.252 -3.619 1.00 0.00 O ATOM 0 H ASP A 72 37.343 -6.834 -0.669 1.00 0.00 H new ATOM 0 HA ASP A 72 35.218 -5.357 0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 72 35.343 -3.948 -1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 72 36.986 -4.355 -0.958 1.00 0.00 H new ATOM 1135 N PHE A 73 34.337 -7.746 -1.410 1.00 0.00 N ATOM 1136 CA PHE A 73 33.283 -8.385 -2.216 1.00 0.00 C ATOM 1137 C PHE A 73 31.870 -8.152 -1.659 1.00 0.00 C ATOM 1138 O PHE A 73 30.995 -7.687 -2.385 1.00 0.00 O ATOM 1139 CB PHE A 73 33.616 -9.882 -2.374 1.00 0.00 C ATOM 1140 CG PHE A 73 32.482 -10.728 -2.925 1.00 0.00 C ATOM 1141 CD1 PHE A 73 32.418 -11.014 -4.301 1.00 0.00 C ATOM 1142 CD2 PHE A 73 31.479 -11.214 -2.061 1.00 0.00 C ATOM 1143 CE1 PHE A 73 31.333 -11.743 -4.821 1.00 0.00 C ATOM 1144 CE2 PHE A 73 30.387 -11.926 -2.581 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.309 -12.177 -3.960 1.00 0.00 C ATOM 0 H PHE A 73 35.126 -8.362 -1.216 1.00 0.00 H new ATOM 0 HA PHE A 73 33.268 -7.915 -3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.479 -9.981 -3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.909 -10.280 -1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 73 33.203 -10.673 -4.959 1.00 0.00 H new ATOM 0 HD2 PHE A 73 31.551 -11.038 -0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 73 31.287 -11.968 -5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 73 29.608 -12.280 -1.922 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.458 -12.706 -4.362 1.00 0.00 H new ATOM 1155 N GLU A 74 31.655 -8.379 -0.359 1.00 0.00 N ATOM 1156 CA GLU A 74 30.337 -8.200 0.274 1.00 0.00 C ATOM 1157 C GLU A 74 29.867 -6.739 0.213 1.00 0.00 C ATOM 1158 O GLU A 74 28.719 -6.446 -0.123 1.00 0.00 O ATOM 1159 CB GLU A 74 30.422 -8.673 1.731 1.00 0.00 C ATOM 1160 CG GLU A 74 29.042 -8.974 2.320 1.00 0.00 C ATOM 1161 CD GLU A 74 29.160 -9.440 3.784 1.00 0.00 C ATOM 1162 OE1 GLU A 74 29.348 -8.585 4.684 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.069 -10.664 4.048 1.00 0.00 O ATOM 0 H GLU A 74 32.383 -8.690 0.284 1.00 0.00 H new ATOM 0 HA GLU A 74 29.604 -8.793 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 74 31.042 -9.568 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 74 30.913 -7.908 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.417 -8.083 2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.549 -9.745 1.727 1.00 0.00 H new ATOM 1170 N LYS A 75 30.796 -5.811 0.464 1.00 0.00 N ATOM 1171 CA LYS A 75 30.560 -4.363 0.434 1.00 0.00 C ATOM 1172 C LYS A 75 30.253 -3.896 -0.989 1.00 0.00 C ATOM 1173 O LYS A 75 29.265 -3.202 -1.210 1.00 0.00 O ATOM 1174 CB LYS A 75 31.754 -3.605 1.060 1.00 0.00 C ATOM 1175 CG LYS A 75 31.991 -4.020 2.526 1.00 0.00 C ATOM 1176 CD LYS A 75 33.142 -5.029 2.694 1.00 0.00 C ATOM 1177 CE LYS A 75 32.986 -5.822 4.000 1.00 0.00 C ATOM 1178 NZ LYS A 75 34.217 -6.601 4.322 1.00 0.00 N ATOM 0 H LYS A 75 31.759 -6.052 0.700 1.00 0.00 H new ATOM 0 HA LYS A 75 29.683 -4.134 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.654 -3.800 0.477 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.569 -2.532 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 75 32.207 -3.131 3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 75 31.075 -4.454 2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 75 33.157 -5.715 1.847 1.00 0.00 H new ATOM 0 HD3 LYS A 75 34.096 -4.502 2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 75 32.765 -5.136 4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 75 32.137 -6.501 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 33.957 -7.459 4.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 34.699 -6.868 3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 34.854 -6.019 4.902 1.00 0.00 H new ATOM 1192 N THR A 76 31.016 -4.374 -1.969 1.00 0.00 N ATOM 1193 CA THR A 76 30.806 -4.132 -3.405 1.00 0.00 C ATOM 1194 C THR A 76 29.468 -4.694 -3.899 1.00 0.00 C ATOM 1195 O THR A 76 28.771 -4.006 -4.643 1.00 0.00 O ATOM 1196 CB THR A 76 32.009 -4.679 -4.200 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.128 -3.883 -3.880 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.821 -4.611 -5.718 1.00 0.00 C ATOM 0 H THR A 76 31.828 -4.962 -1.784 1.00 0.00 H new ATOM 0 HA THR A 76 30.745 -3.057 -3.573 1.00 0.00 H new ATOM 0 HB THR A 76 32.128 -5.728 -3.929 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.847 -4.453 -3.535 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.706 -5.012 -6.213 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.948 -5.198 -6.003 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.675 -3.574 -6.020 1.00 0.00 H new ATOM 1206 N VAL A 77 29.037 -5.871 -3.428 1.00 0.00 N ATOM 1207 CA VAL A 77 27.691 -6.415 -3.704 1.00 0.00 C ATOM 1208 C VAL A 77 26.614 -5.485 -3.147 1.00 0.00 C ATOM 1209 O VAL A 77 25.758 -5.039 -3.906 1.00 0.00 O ATOM 1210 CB VAL A 77 27.523 -7.848 -3.153 1.00 0.00 C ATOM 1211 CG1 VAL A 77 26.061 -8.310 -3.151 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.300 -8.859 -4.002 1.00 0.00 C ATOM 0 H VAL A 77 29.610 -6.479 -2.842 1.00 0.00 H new ATOM 0 HA VAL A 77 27.575 -6.473 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 77 27.902 -7.810 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 77 26.000 -9.323 -2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.469 -7.640 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.673 -8.295 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.164 -9.860 -3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.930 -8.834 -5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.360 -8.604 -3.993 1.00 0.00 H new ATOM 1222 N VAL A 78 26.669 -5.137 -1.856 1.00 0.00 N ATOM 1223 CA VAL A 78 25.648 -4.288 -1.206 1.00 0.00 C ATOM 1224 C VAL A 78 25.591 -2.901 -1.849 1.00 0.00 C ATOM 1225 O VAL A 78 24.511 -2.364 -2.089 1.00 0.00 O ATOM 1226 CB VAL A 78 25.903 -4.194 0.315 1.00 0.00 C ATOM 1227 CG1 VAL A 78 24.997 -3.176 1.020 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.646 -5.554 0.973 1.00 0.00 C ATOM 0 H VAL A 78 27.418 -5.432 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 78 24.675 -4.756 -1.354 1.00 0.00 H new ATOM 0 HB VAL A 78 26.940 -3.874 0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.228 -3.160 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.165 -2.185 0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.954 -3.459 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.828 -5.480 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.612 -5.852 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.315 -6.299 0.542 1.00 0.00 H new ATOM 1238 N ALA A 79 26.745 -2.346 -2.215 1.00 0.00 N ATOM 1239 CA ALA A 79 26.844 -1.036 -2.846 1.00 0.00 C ATOM 1240 C ALA A 79 26.300 -1.044 -4.281 1.00 0.00 C ATOM 1241 O ALA A 79 25.731 -0.050 -4.731 1.00 0.00 O ATOM 1242 CB ALA A 79 28.315 -0.623 -2.785 1.00 0.00 C ATOM 0 H ALA A 79 27.648 -2.801 -2.079 1.00 0.00 H new ATOM 0 HA ALA A 79 26.226 -0.310 -2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.437 0.356 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.637 -0.575 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.921 -1.355 -3.319 1.00 0.00 H new ATOM 1248 N ALA A 80 26.427 -2.150 -5.018 1.00 0.00 N ATOM 1249 CA ALA A 80 25.851 -2.284 -6.357 1.00 0.00 C ATOM 1250 C ALA A 80 24.315 -2.259 -6.333 1.00 0.00 C ATOM 1251 O ALA A 80 23.711 -1.793 -7.292 1.00 0.00 O ATOM 1252 CB ALA A 80 26.371 -3.581 -6.986 1.00 0.00 C ATOM 0 H ALA A 80 26.932 -2.978 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 80 26.160 -1.429 -6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.950 -3.695 -7.985 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.458 -3.543 -7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.075 -4.429 -6.369 1.00 0.00 H new ATOM 1258 N LEU A 81 23.676 -2.675 -5.233 1.00 0.00 N ATOM 1259 CA LEU A 81 22.210 -2.645 -5.093 1.00 0.00 C ATOM 1260 C LEU A 81 21.703 -1.192 -5.161 1.00 0.00 C ATOM 1261 O LEU A 81 20.813 -0.863 -5.943 1.00 0.00 O ATOM 1262 CB LEU A 81 21.766 -3.284 -3.758 1.00 0.00 C ATOM 1263 CG LEU A 81 22.353 -4.660 -3.405 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.968 -5.037 -1.978 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.896 -5.778 -4.333 1.00 0.00 C ATOM 0 H LEU A 81 24.158 -3.043 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 81 21.781 -3.221 -5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.018 -2.593 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.680 -3.374 -3.772 1.00 0.00 H new ATOM 0 HG LEU A 81 23.433 -4.561 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.387 -6.013 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.359 -4.291 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.882 -5.077 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.351 -6.718 -4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.811 -5.868 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.199 -5.549 -5.355 1.00 0.00 H new ATOM 1277 N ILE A 82 22.348 -0.313 -4.384 1.00 0.00 N ATOM 1278 CA ILE A 82 22.043 1.125 -4.327 1.00 0.00 C ATOM 1279 C ILE A 82 22.418 1.793 -5.656 1.00 0.00 C ATOM 1280 O ILE A 82 21.616 2.506 -6.248 1.00 0.00 O ATOM 1281 CB ILE A 82 22.760 1.781 -3.118 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.334 1.109 -1.788 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.465 3.293 -3.074 1.00 0.00 C ATOM 1284 CD1 ILE A 82 23.125 1.576 -0.559 1.00 0.00 C ATOM 0 H ILE A 82 23.112 -0.585 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 82 20.972 1.265 -4.180 1.00 0.00 H new ATOM 0 HB ILE A 82 23.833 1.637 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.275 1.305 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.446 0.029 -1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 82 22.975 3.739 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.820 3.760 -3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.391 3.451 -2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.762 1.055 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 82 24.183 1.355 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.993 2.650 -0.428 1.00 0.00 H new ATOM 1296 N GLN A 83 23.614 1.518 -6.183 1.00 0.00 N ATOM 1297 CA GLN A 83 24.103 2.162 -7.413 1.00 0.00 C ATOM 1298 C GLN A 83 23.314 1.740 -8.666 1.00 0.00 C ATOM 1299 O GLN A 83 23.201 2.518 -9.613 1.00 0.00 O ATOM 1300 CB GLN A 83 25.604 1.886 -7.565 1.00 0.00 C ATOM 1301 CG GLN A 83 26.394 2.628 -6.476 1.00 0.00 C ATOM 1302 CD GLN A 83 27.866 2.228 -6.449 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.169 1.042 -5.962 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.754 2.968 -6.848 1.00 0.00 N flip ATOM 0 H GLN A 83 24.268 0.849 -5.776 1.00 0.00 H new ATOM 0 HA GLN A 83 23.942 3.236 -7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.793 0.815 -7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.942 2.206 -8.551 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.315 3.702 -6.643 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.947 2.423 -5.503 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.521 3.887 -7.225 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.727 2.667 -6.803 1.00 0.00 H new ATOM 1313 N THR A 84 22.699 0.553 -8.646 1.00 0.00 N ATOM 1314 CA THR A 84 21.748 0.111 -9.677 1.00 0.00 C ATOM 1315 C THR A 84 20.495 0.985 -9.687 1.00 0.00 C ATOM 1316 O THR A 84 20.101 1.453 -10.753 1.00 0.00 O ATOM 1317 CB THR A 84 21.367 -1.360 -9.476 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.510 -2.165 -9.651 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.363 -1.876 -10.492 1.00 0.00 C ATOM 0 H THR A 84 22.847 -0.136 -7.908 1.00 0.00 H new ATOM 0 HA THR A 84 22.242 0.213 -10.643 1.00 0.00 H new ATOM 0 HB THR A 84 20.936 -1.413 -8.476 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.173 -1.946 -8.963 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.142 -2.923 -10.286 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.445 -1.292 -10.426 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.780 -1.784 -11.495 1.00 0.00 H new ATOM 1327 N GLU A 85 19.876 1.272 -8.532 1.00 0.00 N ATOM 1328 CA GLU A 85 18.703 2.157 -8.523 1.00 0.00 C ATOM 1329 C GLU A 85 19.083 3.626 -8.744 1.00 0.00 C ATOM 1330 O GLU A 85 18.335 4.344 -9.394 1.00 0.00 O ATOM 1331 CB GLU A 85 17.824 1.975 -7.275 1.00 0.00 C ATOM 1332 CG GLU A 85 18.471 2.387 -5.947 1.00 0.00 C ATOM 1333 CD GLU A 85 17.399 2.678 -4.879 1.00 0.00 C ATOM 1334 OE1 GLU A 85 17.005 3.862 -4.730 1.00 0.00 O ATOM 1335 OE2 GLU A 85 16.955 1.735 -4.181 1.00 0.00 O ATOM 0 H GLU A 85 20.157 0.916 -7.618 1.00 0.00 H new ATOM 0 HA GLU A 85 18.093 1.852 -9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.910 2.553 -7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.532 0.927 -7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.131 1.593 -5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.089 3.272 -6.098 1.00 0.00 H new ATOM 1342 N GLU A 86 20.263 4.078 -8.309 1.00 0.00 N ATOM 1343 CA GLU A 86 20.693 5.476 -8.463 1.00 0.00 C ATOM 1344 C GLU A 86 20.858 5.913 -9.923 1.00 0.00 C ATOM 1345 O GLU A 86 20.629 7.080 -10.241 1.00 0.00 O ATOM 1346 CB GLU A 86 21.981 5.723 -7.670 1.00 0.00 C ATOM 1347 CG GLU A 86 21.702 5.759 -6.165 1.00 0.00 C ATOM 1348 CD GLU A 86 21.156 7.134 -5.731 1.00 0.00 C ATOM 1349 OE1 GLU A 86 19.944 7.397 -5.935 1.00 0.00 O ATOM 1350 OE2 GLU A 86 21.935 7.960 -5.195 1.00 0.00 O ATOM 0 H GLU A 86 20.949 3.487 -7.840 1.00 0.00 H new ATOM 0 HA GLU A 86 19.891 6.093 -8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.704 4.938 -7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.429 6.666 -7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.983 4.982 -5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.619 5.540 -5.617 1.00 0.00 H new ATOM 1357 N ALA A 87 21.153 4.974 -10.830 1.00 0.00 N ATOM 1358 CA ALA A 87 21.071 5.214 -12.268 1.00 0.00 C ATOM 1359 C ALA A 87 19.630 5.502 -12.718 1.00 0.00 C ATOM 1360 O ALA A 87 19.385 6.433 -13.475 1.00 0.00 O ATOM 1361 CB ALA A 87 21.621 3.985 -12.995 1.00 0.00 C ATOM 0 H ALA A 87 21.454 4.031 -10.585 1.00 0.00 H new ATOM 0 HA ALA A 87 21.662 6.097 -12.513 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.568 4.145 -14.072 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.659 3.823 -12.703 1.00 0.00 H new ATOM 0 HB3 ALA A 87 21.029 3.110 -12.729 1.00 0.00 H new ATOM 1367 N LEU A 88 18.659 4.715 -12.237 1.00 0.00 N ATOM 1368 CA LEU A 88 17.250 4.783 -12.657 1.00 0.00 C ATOM 1369 C LEU A 88 16.459 5.865 -11.914 1.00 0.00 C ATOM 1370 O LEU A 88 15.444 6.346 -12.421 1.00 0.00 O ATOM 1371 CB LEU A 88 16.598 3.401 -12.473 1.00 0.00 C ATOM 1372 CG LEU A 88 17.346 2.195 -13.063 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.468 0.969 -12.927 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.664 2.387 -14.540 1.00 0.00 C ATOM 0 H LEU A 88 18.832 3.999 -11.532 1.00 0.00 H new ATOM 0 HA LEU A 88 17.229 5.065 -13.710 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.465 3.228 -11.405 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.603 3.433 -12.917 1.00 0.00 H new ATOM 0 HG LEU A 88 18.285 2.084 -12.520 1.00 0.00 H new ATOM 0 HD11 LEU A 88 16.985 0.103 -13.342 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.251 0.792 -11.874 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.535 1.128 -13.468 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.193 1.511 -14.915 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.737 2.518 -15.098 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.291 3.270 -14.665 1.00 0.00 H new ATOM 1386 N ASN A 89 16.953 6.296 -10.755 1.00 0.00 N ATOM 1387 CA ASN A 89 16.341 7.278 -9.865 1.00 0.00 C ATOM 1388 C ASN A 89 16.179 8.648 -10.525 1.00 0.00 C ATOM 1389 O ASN A 89 15.214 9.353 -10.245 1.00 0.00 O ATOM 1390 CB ASN A 89 17.158 7.325 -8.555 1.00 0.00 C ATOM 1391 CG ASN A 89 16.715 6.296 -7.515 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.633 5.730 -7.561 1.00 0.00 O ATOM 1393 ND2 ASN A 89 17.521 6.045 -6.515 1.00 0.00 N ATOM 0 H ASN A 89 17.841 5.949 -10.392 1.00 0.00 H new ATOM 0 HA ASN A 89 15.322 6.971 -9.631 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.210 7.163 -8.788 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.077 8.322 -8.123 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.242 5.385 -5.789 1.00 0.00 H new ATOM 0 HD22 ASN A 89 18.428 6.509 -6.462 1.00 0.00 H new ATOM 1400 N ARG A 90 17.059 8.980 -11.476 1.00 0.00 N ATOM 1401 CA ARG A 90 16.996 10.218 -12.278 1.00 0.00 C ATOM 1402 C ARG A 90 16.595 10.012 -13.755 1.00 0.00 C ATOM 1403 O ARG A 90 16.475 10.980 -14.499 1.00 0.00 O ATOM 1404 CB ARG A 90 18.272 11.036 -11.985 1.00 0.00 C ATOM 1405 CG ARG A 90 19.462 10.854 -12.943 1.00 0.00 C ATOM 1406 CD ARG A 90 19.606 12.094 -13.832 1.00 0.00 C ATOM 1407 NE ARG A 90 20.775 11.994 -14.728 1.00 0.00 N ATOM 1408 CZ ARG A 90 21.993 12.463 -14.516 1.00 0.00 C ATOM 1409 NH1 ARG A 90 22.327 13.079 -13.415 1.00 0.00 N ATOM 1410 NH2 ARG A 90 22.920 12.318 -15.418 1.00 0.00 N ATOM 0 H ARG A 90 17.853 8.387 -11.719 1.00 0.00 H new ATOM 0 HA ARG A 90 16.150 10.831 -11.968 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.002 12.092 -11.979 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.608 10.788 -10.978 1.00 0.00 H new ATOM 0 HG2 ARG A 90 20.378 10.695 -12.374 1.00 0.00 H new ATOM 0 HG3 ARG A 90 19.312 9.968 -13.560 1.00 0.00 H new ATOM 0 HD2 ARG A 90 18.702 12.221 -14.427 1.00 0.00 H new ATOM 0 HD3 ARG A 90 19.703 12.981 -13.206 1.00 0.00 H new ATOM 0 HE ARG A 90 20.626 11.507 -15.612 1.00 0.00 H new ATOM 0 HH11 ARG A 90 21.636 13.214 -12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 90 23.279 13.425 -13.293 1.00 0.00 H new ATOM 0 HH21 ARG A 90 22.709 11.840 -16.294 1.00 0.00 H new ATOM 0 HH22 ARG A 90 23.858 12.682 -15.249 1.00 0.00 H new ATOM 1424 N ARG A 91 16.323 8.755 -14.149 1.00 0.00 N ATOM 1425 CA ARG A 91 15.745 8.370 -15.462 1.00 0.00 C ATOM 1426 C ARG A 91 14.215 8.329 -15.426 1.00 0.00 C ATOM 1427 O ARG A 91 13.550 8.963 -16.240 1.00 0.00 O ATOM 1428 CB ARG A 91 16.261 6.984 -15.900 1.00 0.00 C ATOM 1429 CG ARG A 91 17.750 6.925 -16.255 1.00 0.00 C ATOM 1430 CD ARG A 91 18.200 5.458 -16.449 1.00 0.00 C ATOM 1431 NE ARG A 91 18.733 5.231 -17.810 1.00 0.00 N ATOM 1432 CZ ARG A 91 18.126 4.714 -18.866 1.00 0.00 C ATOM 1433 NH1 ARG A 91 16.895 4.289 -18.834 1.00 0.00 N ATOM 1434 NH2 ARG A 91 18.758 4.615 -19.999 1.00 0.00 N ATOM 0 H ARG A 91 16.503 7.950 -13.549 1.00 0.00 H new ATOM 0 HA ARG A 91 16.060 9.132 -16.175 1.00 0.00 H new ATOM 0 HB2 ARG A 91 16.066 6.272 -15.098 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.684 6.656 -16.765 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.936 7.493 -17.167 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.338 7.391 -15.464 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.964 5.210 -15.712 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.357 4.791 -16.271 1.00 0.00 H new ATOM 0 HE ARG A 91 19.703 5.512 -17.955 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.358 4.348 -17.969 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.469 3.898 -19.674 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.723 4.936 -20.074 1.00 0.00 H new ATOM 0 HH22 ARG A 91 18.288 4.216 -20.812 1.00 0.00 H new ATOM 1448 N GLN A 92 13.676 7.538 -14.488 1.00 0.00 N ATOM 1449 CA GLN A 92 12.257 7.142 -14.462 1.00 0.00 C ATOM 1450 C GLN A 92 11.618 7.130 -13.073 1.00 0.00 C ATOM 1451 O GLN A 92 10.495 7.599 -12.925 1.00 0.00 O ATOM 1452 CB GLN A 92 12.079 5.780 -15.155 1.00 0.00 C ATOM 1453 CG GLN A 92 12.990 4.637 -14.662 1.00 0.00 C ATOM 1454 CD GLN A 92 12.525 3.281 -15.190 1.00 0.00 C ATOM 1455 OE1 GLN A 92 13.044 2.750 -16.161 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.523 2.684 -14.575 1.00 0.00 N ATOM 0 H GLN A 92 14.218 7.149 -13.716 1.00 0.00 H new ATOM 0 HA GLN A 92 11.723 7.919 -15.010 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.042 5.467 -15.033 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.248 5.915 -16.223 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.014 4.822 -14.985 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.997 4.621 -13.572 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.087 3.124 -13.764 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.184 1.782 -14.910 1.00 0.00 H new ATOM 1465 N ILE A 93 12.329 6.680 -12.031 1.00 0.00 N ATOM 1466 CA ILE A 93 11.749 6.587 -10.667 1.00 0.00 C ATOM 1467 C ILE A 93 11.487 7.994 -10.092 1.00 0.00 C ATOM 1468 O ILE A 93 10.607 8.185 -9.256 1.00 0.00 O ATOM 1469 CB ILE A 93 12.593 5.674 -9.734 1.00 0.00 C ATOM 1470 CG1 ILE A 93 13.055 4.378 -10.452 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.759 5.322 -8.493 1.00 0.00 C ATOM 1472 CD1 ILE A 93 13.856 3.378 -9.605 1.00 0.00 C ATOM 0 H ILE A 93 13.300 6.375 -12.096 1.00 0.00 H new ATOM 0 HA ILE A 93 10.779 6.095 -10.736 1.00 0.00 H new ATOM 0 HB ILE A 93 13.492 6.218 -9.443 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.173 3.868 -10.839 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.662 4.661 -11.312 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.343 4.681 -7.832 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.488 6.236 -7.966 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.854 4.798 -8.800 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.122 2.515 -10.215 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.764 3.857 -9.239 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.251 3.052 -8.759 1.00 0.00 H new ATOM 1484 N ASN A 94 12.137 9.018 -10.657 1.00 0.00 N ATOM 1485 CA ASN A 94 11.845 10.433 -10.397 1.00 0.00 C ATOM 1486 C ASN A 94 10.355 10.774 -10.620 1.00 0.00 C ATOM 1487 O ASN A 94 9.759 11.490 -9.821 1.00 0.00 O ATOM 1488 CB ASN A 94 12.756 11.310 -11.282 1.00 0.00 C ATOM 1489 CG ASN A 94 13.442 12.410 -10.485 1.00 0.00 C ATOM 1490 OD1 ASN A 94 12.951 13.520 -10.350 1.00 0.00 O ATOM 1491 ND2 ASN A 94 14.594 12.119 -9.920 1.00 0.00 N ATOM 0 H ASN A 94 12.898 8.883 -11.323 1.00 0.00 H new ATOM 0 HA ASN A 94 12.051 10.638 -9.347 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.510 10.683 -11.758 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.163 11.757 -12.080 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.082 12.822 -9.365 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.999 11.190 -10.036 1.00 0.00 H new ATOM 1498 N GLN A 95 9.730 10.187 -11.652 1.00 0.00 N ATOM 1499 CA GLN A 95 8.308 10.375 -11.984 1.00 0.00 C ATOM 1500 C GLN A 95 7.363 9.796 -10.916 1.00 0.00 C ATOM 1501 O GLN A 95 6.242 10.278 -10.757 1.00 0.00 O ATOM 1502 CB GLN A 95 7.991 9.705 -13.335 1.00 0.00 C ATOM 1503 CG GLN A 95 8.914 10.122 -14.495 1.00 0.00 C ATOM 1504 CD GLN A 95 8.520 9.496 -15.837 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.473 8.882 -16.015 1.00 0.00 O ATOM 1506 NE2 GLN A 95 9.366 9.596 -16.842 1.00 0.00 N ATOM 0 H GLN A 95 10.209 9.555 -12.293 1.00 0.00 H new ATOM 0 HA GLN A 95 8.140 11.451 -12.033 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.052 8.624 -13.211 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.961 9.937 -13.607 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.899 11.208 -14.590 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.938 9.837 -14.256 1.00 0.00 H new ATOM 0 HE21 GLN A 95 10.244 10.101 -16.721 1.00 0.00 H new ATOM 0 HE22 GLN A 95 9.143 9.168 -17.741 1.00 0.00 H new ATOM 1515 N ALA A 96 7.803 8.766 -10.185 1.00 0.00 N ATOM 1516 CA ALA A 96 7.044 8.141 -9.102 1.00 0.00 C ATOM 1517 C ALA A 96 7.261 8.852 -7.752 1.00 0.00 C ATOM 1518 O ALA A 96 6.302 9.052 -7.005 1.00 0.00 O ATOM 1519 CB ALA A 96 7.431 6.657 -9.039 1.00 0.00 C ATOM 0 H ALA A 96 8.716 8.336 -10.335 1.00 0.00 H new ATOM 0 HA ALA A 96 5.978 8.232 -9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.876 6.170 -8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.192 6.178 -9.988 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.500 6.568 -8.847 1.00 0.00 H new ATOM 1525 N LEU A 97 8.503 9.261 -7.443 1.00 0.00 N ATOM 1526 CA LEU A 97 8.838 9.871 -6.144 1.00 0.00 C ATOM 1527 C LEU A 97 8.447 11.354 -6.028 1.00 0.00 C ATOM 1528 O LEU A 97 8.146 11.826 -4.930 1.00 0.00 O ATOM 1529 CB LEU A 97 10.316 9.603 -5.808 1.00 0.00 C ATOM 1530 CG LEU A 97 11.365 10.403 -6.604 1.00 0.00 C ATOM 1531 CD1 LEU A 97 11.748 11.730 -5.942 1.00 0.00 C ATOM 1532 CD2 LEU A 97 12.656 9.594 -6.754 1.00 0.00 C ATOM 0 H LEU A 97 9.296 9.180 -8.079 1.00 0.00 H new ATOM 0 HA LEU A 97 8.221 9.386 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.466 9.807 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.512 8.541 -5.959 1.00 0.00 H new ATOM 0 HG LEU A 97 10.898 10.608 -7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.490 12.242 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.862 12.358 -5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 97 12.165 11.537 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 97 13.386 10.174 -7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 97 13.059 9.366 -5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.444 8.665 -7.283 1.00 0.00 H new ATOM 1544 N LEU A 98 8.441 12.084 -7.151 1.00 0.00 N ATOM 1545 CA LEU A 98 8.116 13.519 -7.194 1.00 0.00 C ATOM 1546 C LEU A 98 6.649 13.791 -6.810 1.00 0.00 C ATOM 1547 O LEU A 98 6.392 14.584 -5.901 1.00 0.00 O ATOM 1548 CB LEU A 98 8.482 14.083 -8.580 1.00 0.00 C ATOM 1549 CG LEU A 98 8.176 15.580 -8.779 1.00 0.00 C ATOM 1550 CD1 LEU A 98 8.884 16.474 -7.758 1.00 0.00 C ATOM 1551 CD2 LEU A 98 8.632 16.013 -10.172 1.00 0.00 C ATOM 0 H LEU A 98 8.664 11.692 -8.066 1.00 0.00 H new ATOM 0 HA LEU A 98 8.712 14.040 -6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.546 13.920 -8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.945 13.514 -9.340 1.00 0.00 H new ATOM 0 HG LEU A 98 7.100 15.697 -8.650 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.630 17.517 -7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.565 16.201 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.962 16.342 -7.845 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.416 17.072 -10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.704 15.845 -10.272 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.102 15.431 -10.926 1.00 0.00 H new ATOM 1563 N SER A 99 5.697 13.112 -7.460 1.00 0.00 N ATOM 1564 CA SER A 99 4.288 13.083 -7.047 1.00 0.00 C ATOM 1565 C SER A 99 3.570 11.821 -7.548 1.00 0.00 C ATOM 1566 O SER A 99 3.263 10.936 -6.745 1.00 0.00 O ATOM 1567 CB SER A 99 3.547 14.356 -7.490 1.00 0.00 C ATOM 1568 OG SER A 99 2.239 14.367 -6.938 1.00 0.00 O ATOM 0 H SER A 99 5.885 12.561 -8.297 1.00 0.00 H new ATOM 0 HA SER A 99 4.276 13.052 -5.958 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.096 15.240 -7.165 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.493 14.397 -8.578 1.00 0.00 H new ATOM 0 HG SER A 99 1.771 15.180 -7.221 1.00 0.00 H new ATOM 1574 N THR A 100 3.318 11.726 -8.859 1.00 0.00 N ATOM 1575 CA THR A 100 2.689 10.593 -9.553 1.00 0.00 C ATOM 1576 C THR A 100 2.674 10.836 -11.072 1.00 0.00 C ATOM 1577 O THR A 100 1.910 11.646 -11.605 1.00 0.00 O ATOM 1578 CB THR A 100 1.268 10.281 -9.026 1.00 0.00 C ATOM 1579 OG1 THR A 100 0.719 9.208 -9.768 1.00 0.00 O ATOM 1580 CG2 THR A 100 0.256 11.432 -9.018 1.00 0.00 C ATOM 0 H THR A 100 3.561 12.480 -9.502 1.00 0.00 H new ATOM 0 HA THR A 100 3.295 9.712 -9.341 1.00 0.00 H new ATOM 0 HB THR A 100 1.427 10.043 -7.974 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.181 9.007 -9.436 1.00 0.00 H new ATOM 0 HG21 THR A 100 -0.697 11.076 -8.626 1.00 0.00 H new ATOM 0 HG22 THR A 100 0.629 12.240 -8.388 1.00 0.00 H new ATOM 0 HG23 THR A 100 0.115 11.800 -10.034 1.00 0.00 H new ATOM 1588 N GLY A 101 3.546 10.123 -11.787 1.00 0.00 N ATOM 1589 CA GLY A 101 3.582 10.083 -13.257 1.00 0.00 C ATOM 1590 C GLY A 101 4.051 11.391 -13.913 1.00 0.00 C ATOM 1591 O GLY A 101 3.624 11.719 -15.023 1.00 0.00 O ATOM 0 H GLY A 101 4.265 9.543 -11.354 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.243 9.275 -13.571 1.00 0.00 H new ATOM 0 HA3 GLY A 101 2.586 9.841 -13.627 1.00 0.00 H new ATOM 1595 N ASP A 102 4.886 12.159 -13.209 1.00 0.00 N ATOM 1596 CA ASP A 102 5.386 13.474 -13.626 1.00 0.00 C ATOM 1597 C ASP A 102 6.299 13.439 -14.872 1.00 0.00 C ATOM 1598 O ASP A 102 6.741 12.379 -15.325 1.00 0.00 O ATOM 1599 CB ASP A 102 6.137 14.110 -12.448 1.00 0.00 C ATOM 1600 CG ASP A 102 5.201 14.368 -11.256 1.00 0.00 C ATOM 1601 OD1 ASP A 102 4.644 15.486 -11.160 1.00 0.00 O ATOM 1602 OD2 ASP A 102 5.023 13.442 -10.427 1.00 0.00 O ATOM 0 H ASP A 102 5.247 11.873 -12.299 1.00 0.00 H new ATOM 0 HA ASP A 102 4.518 14.066 -13.914 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.951 13.455 -12.138 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.588 15.049 -12.767 1.00 0.00 H new ATOM 1607 N LEU A 103 6.627 14.623 -15.409 1.00 0.00 N ATOM 1608 CA LEU A 103 7.678 14.779 -16.423 1.00 0.00 C ATOM 1609 C LEU A 103 9.083 14.441 -15.879 1.00 0.00 C ATOM 1610 O LEU A 103 9.327 14.464 -14.670 1.00 0.00 O ATOM 1611 CB LEU A 103 7.615 16.187 -17.060 1.00 0.00 C ATOM 1612 CG LEU A 103 8.395 17.320 -16.353 1.00 0.00 C ATOM 1613 CD1 LEU A 103 8.297 18.597 -17.186 1.00 0.00 C ATOM 1614 CD2 LEU A 103 7.862 17.623 -14.954 1.00 0.00 C ATOM 0 H LEU A 103 6.171 15.499 -15.152 1.00 0.00 H new ATOM 0 HA LEU A 103 7.486 14.049 -17.210 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.983 16.111 -18.083 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.568 16.484 -17.119 1.00 0.00 H new ATOM 0 HG LEU A 103 9.426 16.981 -16.256 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.846 19.398 -16.690 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.724 18.421 -18.173 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.251 18.884 -17.290 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.448 18.426 -14.507 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.818 17.930 -15.021 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.939 16.730 -14.334 1.00 0.00 H new ATOM 1626 N ALA A 104 10.021 14.185 -16.795 1.00 0.00 N ATOM 1627 CA ALA A 104 11.445 13.990 -16.490 1.00 0.00 C ATOM 1628 C ALA A 104 12.372 14.619 -17.560 1.00 0.00 C ATOM 1629 O ALA A 104 13.466 14.120 -17.836 1.00 0.00 O ATOM 1630 CB ALA A 104 11.692 12.494 -16.249 1.00 0.00 C ATOM 0 H ALA A 104 9.810 14.106 -17.790 1.00 0.00 H new ATOM 0 HA ALA A 104 11.703 14.527 -15.577 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.745 12.331 -16.021 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.083 12.155 -15.411 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.423 11.932 -17.144 1.00 0.00 H new ATOM 1636 N HIS A 105 11.906 15.698 -18.205 1.00 0.00 N ATOM 1637 CA HIS A 105 12.495 16.246 -19.434 1.00 0.00 C ATOM 1638 C HIS A 105 13.483 17.386 -19.150 1.00 0.00 C ATOM 1639 O HIS A 105 13.125 18.378 -18.512 1.00 0.00 O ATOM 1640 CB HIS A 105 11.377 16.697 -20.387 1.00 0.00 C ATOM 1641 CG HIS A 105 10.338 15.636 -20.684 1.00 0.00 C ATOM 1642 ND1 HIS A 105 10.582 14.270 -20.861 1.00 0.00 N ATOM 1643 CD2 HIS A 105 8.997 15.860 -20.804 1.00 0.00 C ATOM 1644 CE1 HIS A 105 9.384 13.704 -21.087 1.00 0.00 C ATOM 1645 NE2 HIS A 105 8.414 14.635 -21.055 1.00 0.00 N ATOM 0 H HIS A 105 11.094 16.224 -17.881 1.00 0.00 H new ATOM 0 HA HIS A 105 13.073 15.456 -19.913 1.00 0.00 H new ATOM 0 HB2 HIS A 105 10.878 17.565 -19.956 1.00 0.00 H new ATOM 0 HB3 HIS A 105 11.826 17.021 -21.326 1.00 0.00 H new ATOM 0 HD2 HIS A 105 8.491 16.810 -20.719 1.00 0.00 H new ATOM 0 HE1 HIS A 105 9.223 12.652 -21.268 1.00 0.00 H new ATOM 0 HE2 HIS A 105 7.418 14.465 -21.193 1.00 0.00 H new ATOM 1653 N ASP A 106 14.716 17.250 -19.654 1.00 0.00 N ATOM 1654 CA ASP A 106 15.806 18.237 -19.563 1.00 0.00 C ATOM 1655 C ASP A 106 16.149 18.662 -18.117 1.00 0.00 C ATOM 1656 O ASP A 106 16.591 19.787 -17.864 1.00 0.00 O ATOM 1657 CB ASP A 106 15.549 19.418 -20.518 1.00 0.00 C ATOM 1658 CG ASP A 106 15.409 18.969 -21.982 1.00 0.00 C ATOM 1659 OD1 ASP A 106 16.422 18.535 -22.584 1.00 0.00 O ATOM 1660 OD2 ASP A 106 14.293 19.067 -22.551 1.00 0.00 O ATOM 0 H ASP A 106 14.997 16.410 -20.161 1.00 0.00 H new ATOM 0 HA ASP A 106 16.717 17.743 -19.901 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.641 19.938 -20.212 1.00 0.00 H new ATOM 0 HB3 ASP A 106 16.368 20.132 -20.437 1.00 0.00 H new ATOM 1665 N GLU A 107 15.936 17.762 -17.147 1.00 0.00 N ATOM 1666 CA GLU A 107 16.070 18.080 -15.719 1.00 0.00 C ATOM 1667 C GLU A 107 17.531 18.208 -15.236 1.00 0.00 C ATOM 1668 O GLU A 107 17.796 18.912 -14.253 1.00 0.00 O ATOM 1669 CB GLU A 107 15.350 17.025 -14.869 1.00 0.00 C ATOM 1670 CG GLU A 107 13.824 17.114 -14.964 1.00 0.00 C ATOM 1671 CD GLU A 107 13.168 16.309 -13.824 1.00 0.00 C ATOM 1672 OE1 GLU A 107 13.373 15.073 -13.750 1.00 0.00 O ATOM 1673 OE2 GLU A 107 12.440 16.917 -12.999 1.00 0.00 O ATOM 0 H GLU A 107 15.667 16.795 -17.330 1.00 0.00 H new ATOM 0 HA GLU A 107 15.610 19.060 -15.593 1.00 0.00 H new ATOM 0 HB2 GLU A 107 15.670 16.032 -15.185 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.650 17.140 -13.827 1.00 0.00 H new ATOM 0 HG2 GLU A 107 13.510 18.156 -14.910 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.490 16.730 -15.928 1.00 0.00 H new ATOM 1680 N PHE A 108 18.464 17.536 -15.922 1.00 0.00 N ATOM 1681 CA PHE A 108 19.888 17.405 -15.566 1.00 0.00 C ATOM 1682 C PHE A 108 20.814 17.676 -16.769 1.00 0.00 C ATOM 1683 O PHE A 108 21.774 18.468 -16.613 1.00 0.00 O ATOM 1684 CB PHE A 108 20.146 16.012 -14.965 1.00 0.00 C ATOM 1685 CG PHE A 108 19.373 15.707 -13.692 1.00 0.00 C ATOM 1686 CD1 PHE A 108 19.941 15.984 -12.434 1.00 0.00 C ATOM 1687 CD2 PHE A 108 18.087 15.135 -13.765 1.00 0.00 C ATOM 1688 CE1 PHE A 108 19.228 15.688 -11.256 1.00 0.00 C ATOM 1689 CE2 PHE A 108 17.372 14.845 -12.588 1.00 0.00 C ATOM 1690 CZ PHE A 108 17.943 15.120 -11.333 1.00 0.00 C ATOM 0 H PHE A 108 18.237 17.042 -16.785 1.00 0.00 H new ATOM 0 HA PHE A 108 20.123 18.163 -14.819 1.00 0.00 H new ATOM 0 HB2 PHE A 108 19.897 15.259 -15.712 1.00 0.00 H new ATOM 0 HB3 PHE A 108 21.212 15.914 -14.757 1.00 0.00 H new ATOM 0 HD1 PHE A 108 20.925 16.424 -12.372 1.00 0.00 H new ATOM 0 HD2 PHE A 108 17.649 14.918 -14.728 1.00 0.00 H new ATOM 0 HE1 PHE A 108 19.668 15.897 -10.292 1.00 0.00 H new ATOM 0 HE2 PHE A 108 16.385 14.411 -12.649 1.00 0.00 H new ATOM 0 HZ PHE A 108 17.396 14.896 -10.429 1.00 0.00 H new TER 1700 PHE A 108