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= 1.05 K(o=1.3,f=0.74) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.286 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.204 X(o=-0.12,f=0.045) USER MOD Set 2.2: A 39 THR OG1 : rot -110:sc= 0.0877 USER MOD Set 3.1: A 16 SER OG : rot 140:sc= 0.171 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 134:sc= 0.0541 (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= 0.0495 USER MOD Single : A 27 SER OG : rot -22:sc= 0.0889 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -155:sc= 0.674 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00522 USER MOD Single : A 37 ASN : amide:sc= -0.0489 X(o=-0.049,f=-0.48) USER MOD Single : A 45 SER OG : rot 160: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=-0.015) 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=-0.00548 USER MOD Single : A 70 LYS NZ :NH3+ 143:sc= 0.0368 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 124:sc= 1.28 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 84 THR OG1 : rot 66:sc= 1.23 USER MOD Single : A 89 ASN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= 0.667 K(o=0.67,f=-0.034) USER MOD Single : A 95 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.25) 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= 0.0747 K(o=0.075,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.388 -4.447 1.190 1.00 0.00 N ATOM 2 CA ALA A 1 3.047 -4.228 -0.131 1.00 0.00 C ATOM 3 C ALA A 1 2.020 -4.156 -1.277 1.00 0.00 C ATOM 4 O ALA A 1 0.908 -4.672 -1.149 1.00 0.00 O ATOM 5 CB ALA A 1 4.117 -5.307 -0.407 1.00 0.00 C ATOM 0 H1 ALA A 1 2.895 -5.190 1.712 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.407 -3.564 1.738 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.401 -4.740 1.041 1.00 0.00 H new ATOM 0 HA ALA A 1 3.550 -3.262 -0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.580 -5.121 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.879 -5.271 0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.649 -6.291 -0.411 1.00 0.00 H new ATOM 13 N VAL A 2 2.388 -3.523 -2.404 1.00 0.00 N ATOM 14 CA VAL A 2 1.503 -3.309 -3.580 1.00 0.00 C ATOM 15 C VAL A 2 1.822 -4.204 -4.792 1.00 0.00 C ATOM 16 O VAL A 2 1.122 -4.148 -5.803 1.00 0.00 O ATOM 17 CB VAL A 2 1.449 -1.820 -3.988 1.00 0.00 C ATOM 18 CG1 VAL A 2 0.893 -0.953 -2.851 1.00 0.00 C ATOM 19 CG2 VAL A 2 2.813 -1.259 -4.414 1.00 0.00 C ATOM 0 H VAL A 2 3.323 -3.136 -2.533 1.00 0.00 H new ATOM 0 HA VAL A 2 0.513 -3.617 -3.244 1.00 0.00 H new ATOM 0 HB VAL A 2 0.784 -1.781 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.867 0.090 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.116 -1.282 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.532 -1.050 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.705 -0.209 -4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.517 -1.348 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.186 -1.821 -5.270 1.00 0.00 H new ATOM 29 N GLU A 3 2.862 -5.041 -4.705 1.00 0.00 N ATOM 30 CA GLU A 3 3.306 -5.955 -5.771 1.00 0.00 C ATOM 31 C GLU A 3 3.791 -7.302 -5.192 1.00 0.00 C ATOM 32 O GLU A 3 4.314 -7.356 -4.076 1.00 0.00 O ATOM 33 CB GLU A 3 4.402 -5.255 -6.601 1.00 0.00 C ATOM 34 CG GLU A 3 4.749 -5.985 -7.904 1.00 0.00 C ATOM 35 CD GLU A 3 5.778 -5.183 -8.725 1.00 0.00 C ATOM 36 OE1 GLU A 3 5.369 -4.359 -9.580 1.00 0.00 O ATOM 37 OE2 GLU A 3 7.001 -5.383 -8.523 1.00 0.00 O ATOM 0 H GLU A 3 3.438 -5.105 -3.866 1.00 0.00 H new ATOM 0 HA GLU A 3 2.465 -6.190 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.075 -4.243 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.303 -5.165 -5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.149 -6.973 -7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.845 -6.135 -8.494 1.00 0.00 H new ATOM 44 N VAL A 4 3.636 -8.391 -5.960 1.00 0.00 N ATOM 45 CA VAL A 4 3.936 -9.785 -5.544 1.00 0.00 C ATOM 46 C VAL A 4 5.277 -10.290 -6.124 1.00 0.00 C ATOM 47 O VAL A 4 5.474 -11.479 -6.372 1.00 0.00 O ATOM 48 CB VAL A 4 2.758 -10.733 -5.867 1.00 0.00 C ATOM 49 CG1 VAL A 4 2.737 -11.966 -4.948 1.00 0.00 C ATOM 50 CG2 VAL A 4 1.374 -10.077 -5.713 1.00 0.00 C ATOM 0 H VAL A 4 3.289 -8.333 -6.917 1.00 0.00 H new ATOM 0 HA VAL A 4 4.057 -9.783 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 4 2.931 -11.006 -6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.893 -12.602 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.665 -12.525 -5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.639 -11.645 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.598 -10.803 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.244 -9.738 -4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.298 -9.225 -6.388 1.00 0.00 H new ATOM 60 N GLU A 5 6.199 -9.360 -6.392 1.00 0.00 N ATOM 61 CA GLU A 5 7.526 -9.594 -6.997 1.00 0.00 C ATOM 62 C GLU A 5 7.446 -10.316 -8.362 1.00 0.00 C ATOM 63 O GLU A 5 8.248 -11.199 -8.680 1.00 0.00 O ATOM 64 CB GLU A 5 8.486 -10.264 -5.992 1.00 0.00 C ATOM 65 CG GLU A 5 8.656 -9.474 -4.686 1.00 0.00 C ATOM 66 CD GLU A 5 9.641 -10.192 -3.745 1.00 0.00 C ATOM 67 OE1 GLU A 5 9.199 -11.002 -2.893 1.00 0.00 O ATOM 68 OE2 GLU A 5 10.870 -9.950 -3.843 1.00 0.00 O ATOM 0 H GLU A 5 6.038 -8.374 -6.185 1.00 0.00 H new ATOM 0 HA GLU A 5 7.956 -8.620 -7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.115 -11.262 -5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.462 -10.388 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.020 -8.470 -4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.690 -9.362 -4.194 1.00 0.00 H new ATOM 75 N VAL A 6 6.436 -9.950 -9.165 1.00 0.00 N ATOM 76 CA VAL A 6 6.088 -10.628 -10.428 1.00 0.00 C ATOM 77 C VAL A 6 7.166 -10.494 -11.529 1.00 0.00 C ATOM 78 O VAL A 6 7.544 -11.533 -12.085 1.00 0.00 O ATOM 79 CB VAL A 6 4.690 -10.198 -10.930 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.294 -10.904 -12.233 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.603 -10.516 -9.891 1.00 0.00 C ATOM 0 H VAL A 6 5.826 -9.161 -8.953 1.00 0.00 H new ATOM 0 HA VAL A 6 6.051 -11.692 -10.195 1.00 0.00 H new ATOM 0 HB VAL A 6 4.760 -9.124 -11.102 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.305 -10.567 -12.543 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.019 -10.665 -13.011 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.277 -11.982 -12.072 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.632 -10.202 -10.273 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.587 -11.589 -9.697 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.818 -9.983 -8.965 1.00 0.00 H new ATOM 91 N PRO A 7 7.682 -9.293 -11.880 1.00 0.00 N ATOM 92 CA PRO A 7 8.687 -9.149 -12.937 1.00 0.00 C ATOM 93 C PRO A 7 10.113 -9.499 -12.467 1.00 0.00 C ATOM 94 O PRO A 7 10.401 -9.618 -11.272 1.00 0.00 O ATOM 95 CB PRO A 7 8.596 -7.687 -13.385 1.00 0.00 C ATOM 96 CG PRO A 7 8.274 -6.984 -12.068 1.00 0.00 C ATOM 97 CD PRO A 7 7.321 -7.967 -11.384 1.00 0.00 C ATOM 0 HA PRO A 7 8.488 -9.847 -13.750 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.530 -7.333 -13.821 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.817 -7.535 -14.132 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.170 -6.809 -11.473 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.805 -6.013 -12.231 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.421 -7.916 -10.300 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.283 -7.732 -11.620 1.00 0.00 H new ATOM 105 N GLY A 8 11.019 -9.621 -13.440 1.00 0.00 N ATOM 106 CA GLY A 8 12.456 -9.858 -13.236 1.00 0.00 C ATOM 107 C GLY A 8 13.096 -10.716 -14.336 1.00 0.00 C ATOM 108 O GLY A 8 12.455 -11.623 -14.869 1.00 0.00 O ATOM 0 H GLY A 8 10.767 -9.556 -14.426 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.971 -8.899 -13.188 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.603 -10.347 -12.273 1.00 0.00 H new ATOM 112 N LEU A 9 14.360 -10.427 -14.682 1.00 0.00 N ATOM 113 CA LEU A 9 15.153 -11.205 -15.655 1.00 0.00 C ATOM 114 C LEU A 9 16.649 -11.334 -15.283 1.00 0.00 C ATOM 115 O LEU A 9 17.513 -11.390 -16.160 1.00 0.00 O ATOM 116 CB LEU A 9 14.849 -10.750 -17.105 1.00 0.00 C ATOM 117 CG LEU A 9 15.036 -9.267 -17.485 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.490 -8.823 -17.619 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.365 -8.989 -18.830 1.00 0.00 C ATOM 0 H LEU A 9 14.870 -9.636 -14.290 1.00 0.00 H new ATOM 0 HA LEU A 9 14.824 -12.243 -15.604 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.477 -11.341 -17.772 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.814 -11.016 -17.322 1.00 0.00 H new ATOM 0 HG LEU A 9 14.588 -8.710 -16.662 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.525 -7.767 -17.888 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.005 -8.973 -16.670 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.980 -9.411 -18.395 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.500 -7.940 -19.094 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.816 -9.617 -19.598 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.300 -9.211 -18.758 1.00 0.00 H new ATOM 131 N LEU A 10 16.956 -11.415 -13.977 1.00 0.00 N ATOM 132 CA LEU A 10 18.314 -11.701 -13.495 1.00 0.00 C ATOM 133 C LEU A 10 18.762 -13.056 -14.051 1.00 0.00 C ATOM 134 O LEU A 10 18.122 -14.084 -13.802 1.00 0.00 O ATOM 135 CB LEU A 10 18.387 -11.710 -11.952 1.00 0.00 C ATOM 136 CG LEU A 10 18.410 -10.313 -11.303 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.803 -10.350 -9.901 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.835 -9.774 -11.155 1.00 0.00 C ATOM 0 H LEU A 10 16.273 -11.285 -13.231 1.00 0.00 H new ATOM 0 HA LEU A 10 18.978 -10.911 -13.845 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.531 -12.262 -11.564 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.282 -12.253 -11.647 1.00 0.00 H new ATOM 0 HG LEU A 10 17.832 -9.668 -11.964 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.832 -9.351 -9.466 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.769 -10.690 -9.961 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.375 -11.035 -9.275 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.805 -8.787 -10.693 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.416 -10.450 -10.528 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.300 -9.700 -12.138 1.00 0.00 H new ATOM 150 N THR A 11 19.877 -13.038 -14.777 1.00 0.00 N ATOM 151 CA THR A 11 20.537 -14.235 -15.301 1.00 0.00 C ATOM 152 C THR A 11 21.998 -14.274 -14.861 1.00 0.00 C ATOM 153 O THR A 11 22.692 -13.255 -14.828 1.00 0.00 O ATOM 154 CB THR A 11 20.403 -14.325 -16.830 1.00 0.00 C ATOM 155 OG1 THR A 11 19.044 -14.527 -17.173 1.00 0.00 O ATOM 156 CG2 THR A 11 21.192 -15.488 -17.434 1.00 0.00 C ATOM 0 H THR A 11 20.359 -12.173 -15.024 1.00 0.00 H new ATOM 0 HA THR A 11 20.037 -15.110 -14.886 1.00 0.00 H new ATOM 0 HB THR A 11 20.798 -13.390 -17.226 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.957 -14.583 -18.148 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.056 -15.497 -18.515 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.250 -15.369 -17.202 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.832 -16.428 -17.015 1.00 0.00 H new ATOM 164 N ASP A 12 22.466 -15.473 -14.528 1.00 0.00 N ATOM 165 CA ASP A 12 23.853 -15.808 -14.222 1.00 0.00 C ATOM 166 C ASP A 12 24.735 -15.819 -15.489 1.00 0.00 C ATOM 167 O ASP A 12 25.351 -16.828 -15.843 1.00 0.00 O ATOM 168 CB ASP A 12 23.894 -17.126 -13.425 1.00 0.00 C ATOM 169 CG ASP A 12 23.341 -18.350 -14.189 1.00 0.00 C ATOM 170 OD1 ASP A 12 24.035 -19.395 -14.251 1.00 0.00 O ATOM 171 OD2 ASP A 12 22.182 -18.302 -14.671 1.00 0.00 O ATOM 0 H ASP A 12 21.851 -16.284 -14.461 1.00 0.00 H new ATOM 0 HA ASP A 12 24.286 -15.031 -13.592 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.925 -17.329 -13.135 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.323 -16.998 -12.505 1.00 0.00 H new ATOM 176 N HIS A 13 24.826 -14.674 -16.179 1.00 0.00 N ATOM 177 CA HIS A 13 25.748 -14.439 -17.301 1.00 0.00 C ATOM 178 C HIS A 13 27.175 -14.168 -16.778 1.00 0.00 C ATOM 179 O HIS A 13 27.867 -13.240 -17.208 1.00 0.00 O ATOM 180 CB HIS A 13 25.198 -13.335 -18.230 1.00 0.00 C ATOM 181 CG HIS A 13 24.032 -13.736 -19.103 1.00 0.00 C ATOM 182 ND1 HIS A 13 22.871 -12.978 -19.302 1.00 0.00 N ATOM 183 CD2 HIS A 13 23.980 -14.837 -19.909 1.00 0.00 C ATOM 184 CE1 HIS A 13 22.149 -13.642 -20.220 1.00 0.00 C ATOM 185 NE2 HIS A 13 22.788 -14.765 -20.596 1.00 0.00 N ATOM 0 H HIS A 13 24.245 -13.863 -15.967 1.00 0.00 H new ATOM 0 HA HIS A 13 25.820 -15.337 -17.915 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.894 -12.487 -17.616 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.008 -12.989 -18.873 1.00 0.00 H new ATOM 0 HD2 HIS A 13 24.727 -15.612 -19.992 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.191 -13.320 -20.602 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.448 -15.447 -21.274 1.00 0.00 H new ATOM 193 N THR A 14 27.608 -14.970 -15.801 1.00 0.00 N ATOM 194 CA THR A 14 28.850 -14.799 -15.047 1.00 0.00 C ATOM 195 C THR A 14 29.637 -16.115 -14.929 1.00 0.00 C ATOM 196 O THR A 14 29.055 -17.169 -14.666 1.00 0.00 O ATOM 197 CB THR A 14 28.592 -14.165 -13.666 1.00 0.00 C ATOM 198 OG1 THR A 14 27.715 -14.952 -12.895 1.00 0.00 O ATOM 199 CG2 THR A 14 27.951 -12.778 -13.722 1.00 0.00 C ATOM 0 H THR A 14 27.080 -15.790 -15.503 1.00 0.00 H new ATOM 0 HA THR A 14 29.473 -14.106 -15.612 1.00 0.00 H new ATOM 0 HB THR A 14 29.587 -14.093 -13.228 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.572 -14.525 -12.024 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.804 -12.404 -12.709 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.604 -12.097 -14.269 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.988 -12.842 -14.228 1.00 0.00 H new ATOM 207 N VAL A 15 30.961 -16.076 -15.159 1.00 0.00 N ATOM 208 CA VAL A 15 31.836 -17.274 -15.295 1.00 0.00 C ATOM 209 C VAL A 15 33.158 -17.181 -14.503 1.00 0.00 C ATOM 210 O VAL A 15 34.194 -17.714 -14.906 1.00 0.00 O ATOM 211 CB VAL A 15 32.065 -17.661 -16.778 1.00 0.00 C ATOM 212 CG1 VAL A 15 30.735 -18.057 -17.428 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.705 -16.572 -17.645 1.00 0.00 C ATOM 0 H VAL A 15 31.471 -15.199 -15.259 1.00 0.00 H new ATOM 0 HA VAL A 15 31.284 -18.089 -14.827 1.00 0.00 H new ATOM 0 HB VAL A 15 32.771 -18.490 -16.739 1.00 0.00 H new ATOM 0 HG11 VAL A 15 30.906 -18.327 -18.470 1.00 0.00 H new ATOM 0 HG12 VAL A 15 30.310 -18.909 -16.897 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.042 -17.217 -17.380 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.823 -16.941 -18.664 1.00 0.00 H new ATOM 0 HG22 VAL A 15 32.066 -15.689 -17.650 1.00 0.00 H new ATOM 0 HG23 VAL A 15 33.682 -16.311 -17.238 1.00 0.00 H new ATOM 223 N SER A 16 33.101 -16.528 -13.339 1.00 0.00 N ATOM 224 CA SER A 16 34.252 -16.239 -12.459 1.00 0.00 C ATOM 225 C SER A 16 34.026 -16.769 -11.039 1.00 0.00 C ATOM 226 O SER A 16 32.891 -16.814 -10.579 1.00 0.00 O ATOM 227 CB SER A 16 34.507 -14.726 -12.467 1.00 0.00 C ATOM 228 OG SER A 16 35.167 -14.302 -11.287 1.00 0.00 O ATOM 0 H SER A 16 32.223 -16.170 -12.964 1.00 0.00 H new ATOM 0 HA SER A 16 35.135 -16.755 -12.837 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.110 -14.463 -13.336 1.00 0.00 H new ATOM 0 HB3 SER A 16 33.559 -14.197 -12.564 1.00 0.00 H new ATOM 0 HG SER A 16 35.842 -13.629 -11.514 1.00 0.00 H new ATOM 234 N SER A 17 35.088 -17.111 -10.301 1.00 0.00 N ATOM 235 CA SER A 17 34.994 -17.567 -8.901 1.00 0.00 C ATOM 236 C SER A 17 34.331 -16.532 -7.973 1.00 0.00 C ATOM 237 O SER A 17 33.546 -16.900 -7.097 1.00 0.00 O ATOM 238 CB SER A 17 36.390 -17.920 -8.378 1.00 0.00 C ATOM 239 OG SER A 17 37.272 -16.811 -8.514 1.00 0.00 O ATOM 0 H SER A 17 36.044 -17.081 -10.656 1.00 0.00 H new ATOM 0 HA SER A 17 34.354 -18.449 -8.895 1.00 0.00 H new ATOM 0 HB2 SER A 17 36.328 -18.216 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.785 -18.775 -8.927 1.00 0.00 H new ATOM 0 HG SER A 17 38.158 -17.054 -8.173 1.00 0.00 H new ATOM 245 N ILE A 18 34.587 -15.239 -8.208 1.00 0.00 N ATOM 246 CA ILE A 18 33.916 -14.103 -7.550 1.00 0.00 C ATOM 247 C ILE A 18 32.686 -13.634 -8.336 1.00 0.00 C ATOM 248 O ILE A 18 31.649 -13.371 -7.739 1.00 0.00 O ATOM 249 CB ILE A 18 34.886 -12.924 -7.274 1.00 0.00 C ATOM 250 CG1 ILE A 18 35.992 -12.828 -8.344 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.478 -13.046 -5.860 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.753 -11.514 -8.422 1.00 0.00 C ATOM 0 H ILE A 18 35.290 -14.941 -8.884 1.00 0.00 H new ATOM 0 HA ILE A 18 33.572 -14.469 -6.583 1.00 0.00 H new ATOM 0 HB ILE A 18 34.316 -11.996 -7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.711 -13.627 -8.164 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.541 -13.019 -9.318 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.157 -12.213 -5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.673 -13.026 -5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.024 -13.985 -5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.502 -11.573 -9.212 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.058 -10.703 -8.641 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.246 -11.322 -7.469 1.00 0.00 H new ATOM 264 N GLY A 19 32.737 -13.561 -9.670 1.00 0.00 N ATOM 265 CA GLY A 19 31.599 -13.061 -10.461 1.00 0.00 C ATOM 266 C GLY A 19 30.369 -13.982 -10.443 1.00 0.00 C ATOM 267 O GLY A 19 29.238 -13.500 -10.499 1.00 0.00 O ATOM 0 H GLY A 19 33.546 -13.839 -10.225 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.311 -12.080 -10.083 1.00 0.00 H new ATOM 0 HA3 GLY A 19 31.921 -12.923 -11.493 1.00 0.00 H new ATOM 271 N HIS A 20 30.563 -15.294 -10.283 1.00 0.00 N ATOM 272 CA HIS A 20 29.475 -16.256 -10.048 1.00 0.00 C ATOM 273 C HIS A 20 28.838 -16.055 -8.665 1.00 0.00 C ATOM 274 O HIS A 20 27.619 -16.131 -8.525 1.00 0.00 O ATOM 275 CB HIS A 20 29.994 -17.693 -10.195 1.00 0.00 C ATOM 276 CG HIS A 20 28.916 -18.737 -10.026 1.00 0.00 C ATOM 277 ND1 HIS A 20 27.967 -19.089 -10.991 1.00 0.00 N ATOM 278 CD2 HIS A 20 28.709 -19.492 -8.907 1.00 0.00 C ATOM 279 CE1 HIS A 20 27.209 -20.048 -10.430 1.00 0.00 C ATOM 280 NE2 HIS A 20 27.635 -20.311 -9.181 1.00 0.00 N ATOM 0 H HIS A 20 31.487 -15.725 -10.313 1.00 0.00 H new ATOM 0 HA HIS A 20 28.704 -16.080 -10.798 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.451 -17.808 -11.178 1.00 0.00 H new ATOM 0 HB3 HIS A 20 30.777 -17.866 -9.457 1.00 0.00 H new ATOM 0 HD2 HIS A 20 29.275 -19.455 -7.988 1.00 0.00 H new ATOM 0 HE1 HIS A 20 26.377 -20.538 -10.913 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.232 -20.999 -8.545 1.00 0.00 H new ATOM 288 N ASP A 21 29.642 -15.724 -7.648 1.00 0.00 N ATOM 289 CA ASP A 21 29.137 -15.438 -6.305 1.00 0.00 C ATOM 290 C ASP A 21 28.427 -14.079 -6.257 1.00 0.00 C ATOM 291 O ASP A 21 27.407 -13.964 -5.576 1.00 0.00 O ATOM 292 CB ASP A 21 30.272 -15.520 -5.271 1.00 0.00 C ATOM 293 CG ASP A 21 30.693 -16.954 -4.883 1.00 0.00 C ATOM 294 OD1 ASP A 21 31.609 -17.088 -4.036 1.00 0.00 O ATOM 295 OD2 ASP A 21 30.095 -17.951 -5.360 1.00 0.00 O ATOM 0 H ASP A 21 30.655 -15.648 -7.734 1.00 0.00 H new ATOM 0 HA ASP A 21 28.398 -16.197 -6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.142 -14.995 -5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.962 -14.991 -4.370 1.00 0.00 H new ATOM 300 N PHE A 22 28.892 -13.063 -7.008 1.00 0.00 N ATOM 301 CA PHE A 22 28.210 -11.765 -7.108 1.00 0.00 C ATOM 302 C PHE A 22 26.766 -11.937 -7.568 1.00 0.00 C ATOM 303 O PHE A 22 25.884 -11.327 -6.981 1.00 0.00 O ATOM 304 CB PHE A 22 28.948 -10.823 -8.071 1.00 0.00 C ATOM 305 CG PHE A 22 28.340 -9.428 -8.153 1.00 0.00 C ATOM 306 CD1 PHE A 22 27.247 -9.200 -9.008 1.00 0.00 C ATOM 307 CD2 PHE A 22 28.830 -8.368 -7.369 1.00 0.00 C ATOM 308 CE1 PHE A 22 26.653 -7.929 -9.092 1.00 0.00 C ATOM 309 CE2 PHE A 22 28.259 -7.085 -7.472 1.00 0.00 C ATOM 310 CZ PHE A 22 27.173 -6.868 -8.337 1.00 0.00 C ATOM 0 H PHE A 22 29.748 -13.121 -7.559 1.00 0.00 H new ATOM 0 HA PHE A 22 28.213 -11.322 -6.112 1.00 0.00 H new ATOM 0 HB2 PHE A 22 29.988 -10.738 -7.756 1.00 0.00 H new ATOM 0 HB3 PHE A 22 28.952 -11.267 -9.067 1.00 0.00 H new ATOM 0 HD1 PHE A 22 26.860 -10.011 -9.607 1.00 0.00 H new ATOM 0 HD2 PHE A 22 29.648 -8.539 -6.685 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.800 -7.770 -9.735 1.00 0.00 H new ATOM 0 HE2 PHE A 22 28.655 -6.268 -6.887 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.738 -5.883 -8.420 1.00 0.00 H new ATOM 320 N TYR A 23 26.512 -12.791 -8.566 1.00 0.00 N ATOM 321 CA TYR A 23 25.151 -13.079 -9.031 1.00 0.00 C ATOM 322 C TYR A 23 24.228 -13.499 -7.874 1.00 0.00 C ATOM 323 O TYR A 23 23.190 -12.870 -7.648 1.00 0.00 O ATOM 324 CB TYR A 23 25.181 -14.160 -10.123 1.00 0.00 C ATOM 325 CG TYR A 23 23.790 -14.569 -10.552 1.00 0.00 C ATOM 326 CD1 TYR A 23 23.203 -15.738 -10.032 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.047 -13.724 -11.393 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.864 -16.052 -10.334 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.702 -14.018 -11.676 1.00 0.00 C ATOM 330 CZ TYR A 23 21.106 -15.184 -11.152 1.00 0.00 C ATOM 331 OH TYR A 23 19.808 -15.466 -11.447 1.00 0.00 O ATOM 0 H TYR A 23 27.239 -13.299 -9.071 1.00 0.00 H new ATOM 0 HA TYR A 23 24.742 -12.161 -9.453 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.732 -13.788 -10.987 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.718 -15.034 -9.754 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.781 -16.396 -9.400 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.510 -12.848 -11.822 1.00 0.00 H new ATOM 0 HE1 TYR A 23 21.418 -16.954 -9.942 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.123 -13.349 -12.296 1.00 0.00 H new ATOM 0 HH TYR A 23 19.527 -14.939 -12.224 1.00 0.00 H new ATOM 341 N ARG A 24 24.642 -14.518 -7.107 1.00 0.00 N ATOM 342 CA ARG A 24 23.852 -15.093 -6.005 1.00 0.00 C ATOM 343 C ARG A 24 23.703 -14.109 -4.842 1.00 0.00 C ATOM 344 O ARG A 24 22.606 -13.910 -4.324 1.00 0.00 O ATOM 345 CB ARG A 24 24.481 -16.411 -5.522 1.00 0.00 C ATOM 346 CG ARG A 24 24.671 -17.431 -6.660 1.00 0.00 C ATOM 347 CD ARG A 24 25.004 -18.836 -6.140 1.00 0.00 C ATOM 348 NE ARG A 24 23.846 -19.465 -5.470 1.00 0.00 N ATOM 349 CZ ARG A 24 23.850 -20.577 -4.754 1.00 0.00 C ATOM 350 NH1 ARG A 24 24.936 -21.268 -4.549 1.00 0.00 N ATOM 351 NH2 ARG A 24 22.747 -21.023 -4.225 1.00 0.00 N ATOM 0 H ARG A 24 25.546 -14.973 -7.235 1.00 0.00 H new ATOM 0 HA ARG A 24 22.853 -15.301 -6.389 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.447 -16.201 -5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 24 23.849 -16.849 -4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.762 -17.475 -7.260 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.471 -17.092 -7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.327 -19.463 -6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 24 25.839 -18.776 -5.442 1.00 0.00 H new ATOM 0 HE ARG A 24 22.948 -18.991 -5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 24 25.822 -20.956 -4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 24 24.900 -22.121 -3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 24 21.874 -20.514 -4.362 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.756 -21.881 -3.674 1.00 0.00 H new ATOM 365 N ALA A 25 24.800 -13.457 -4.461 1.00 0.00 N ATOM 366 CA ALA A 25 24.819 -12.477 -3.380 1.00 0.00 C ATOM 367 C ALA A 25 23.988 -11.230 -3.716 1.00 0.00 C ATOM 368 O ALA A 25 23.226 -10.766 -2.874 1.00 0.00 O ATOM 369 CB ALA A 25 26.277 -12.121 -3.077 1.00 0.00 C ATOM 0 H ALA A 25 25.710 -13.597 -4.900 1.00 0.00 H new ATOM 0 HA ALA A 25 24.356 -12.911 -2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.313 -11.389 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.816 -13.019 -2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.742 -11.701 -3.969 1.00 0.00 H new ATOM 375 N PHE A 26 24.078 -10.708 -4.940 1.00 0.00 N ATOM 376 CA PHE A 26 23.267 -9.578 -5.388 1.00 0.00 C ATOM 377 C PHE A 26 21.779 -9.941 -5.347 1.00 0.00 C ATOM 378 O PHE A 26 21.002 -9.242 -4.703 1.00 0.00 O ATOM 379 CB PHE A 26 23.734 -9.135 -6.788 1.00 0.00 C ATOM 380 CG PHE A 26 22.954 -7.986 -7.412 1.00 0.00 C ATOM 381 CD1 PHE A 26 21.659 -8.199 -7.923 1.00 0.00 C ATOM 382 CD2 PHE A 26 23.533 -6.705 -7.518 1.00 0.00 C ATOM 383 CE1 PHE A 26 20.940 -7.145 -8.506 1.00 0.00 C ATOM 384 CE2 PHE A 26 22.821 -5.652 -8.126 1.00 0.00 C ATOM 385 CZ PHE A 26 21.521 -5.872 -8.615 1.00 0.00 C ATOM 0 H PHE A 26 24.719 -11.060 -5.651 1.00 0.00 H new ATOM 0 HA PHE A 26 23.399 -8.731 -4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.783 -8.846 -6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.679 -9.993 -7.458 1.00 0.00 H new ATOM 0 HD1 PHE A 26 21.216 -9.182 -7.866 1.00 0.00 H new ATOM 0 HD2 PHE A 26 24.526 -6.530 -7.132 1.00 0.00 H new ATOM 0 HE1 PHE A 26 19.938 -7.313 -8.872 1.00 0.00 H new ATOM 0 HE2 PHE A 26 23.274 -4.676 -8.216 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.971 -5.063 -9.073 1.00 0.00 H new ATOM 395 N SER A 27 21.376 -11.054 -5.968 1.00 0.00 N ATOM 396 CA SER A 27 19.963 -11.455 -6.053 1.00 0.00 C ATOM 397 C SER A 27 19.349 -11.792 -4.683 1.00 0.00 C ATOM 398 O SER A 27 18.157 -11.557 -4.474 1.00 0.00 O ATOM 399 CB SER A 27 19.770 -12.618 -7.033 1.00 0.00 C ATOM 400 OG SER A 27 20.331 -13.822 -6.538 1.00 0.00 O ATOM 0 H SER A 27 22.016 -11.703 -6.426 1.00 0.00 H new ATOM 0 HA SER A 27 19.426 -10.586 -6.434 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.706 -12.763 -7.220 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.231 -12.368 -7.989 1.00 0.00 H new ATOM 0 HG SER A 27 21.013 -13.613 -5.866 1.00 0.00 H new ATOM 406 N ASP A 28 20.155 -12.256 -3.721 1.00 0.00 N ATOM 407 CA ASP A 28 19.742 -12.507 -2.336 1.00 0.00 C ATOM 408 C ASP A 28 19.317 -11.229 -1.583 1.00 0.00 C ATOM 409 O ASP A 28 18.414 -11.305 -0.743 1.00 0.00 O ATOM 410 CB ASP A 28 20.885 -13.202 -1.572 1.00 0.00 C ATOM 411 CG ASP A 28 20.922 -14.739 -1.701 1.00 0.00 C ATOM 412 OD1 ASP A 28 21.986 -15.332 -1.397 1.00 0.00 O ATOM 413 OD2 ASP A 28 19.884 -15.377 -2.005 1.00 0.00 O ATOM 0 H ASP A 28 21.137 -12.473 -3.889 1.00 0.00 H new ATOM 0 HA ASP A 28 18.864 -13.151 -2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.834 -12.801 -1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.804 -12.944 -0.516 1.00 0.00 H new ATOM 418 N LYS A 29 19.930 -10.067 -1.876 1.00 0.00 N ATOM 419 CA LYS A 29 19.572 -8.760 -1.269 1.00 0.00 C ATOM 420 C LYS A 29 18.917 -7.748 -2.231 1.00 0.00 C ATOM 421 O LYS A 29 18.574 -6.640 -1.817 1.00 0.00 O ATOM 422 CB LYS A 29 20.715 -8.157 -0.413 1.00 0.00 C ATOM 423 CG LYS A 29 22.167 -8.578 -0.713 1.00 0.00 C ATOM 424 CD LYS A 29 22.631 -9.894 -0.055 1.00 0.00 C ATOM 425 CE LYS A 29 22.611 -9.828 1.484 1.00 0.00 C ATOM 426 NZ LYS A 29 23.132 -11.083 2.106 1.00 0.00 N ATOM 0 H LYS A 29 20.696 -10.003 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 29 18.769 -8.999 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.660 -7.072 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.510 -8.399 0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.283 -8.672 -1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.832 -7.777 -0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 29 21.988 -10.709 -0.388 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.641 -10.127 -0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.211 -8.982 1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.591 -9.650 1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.101 -10.996 3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.544 -11.888 1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.114 -11.240 1.801 1.00 0.00 H new ATOM 440 N TRP A 30 18.697 -8.118 -3.492 1.00 0.00 N ATOM 441 CA TRP A 30 18.078 -7.260 -4.507 1.00 0.00 C ATOM 442 C TRP A 30 16.621 -6.884 -4.177 1.00 0.00 C ATOM 443 O TRP A 30 15.788 -7.743 -3.880 1.00 0.00 O ATOM 444 CB TRP A 30 18.167 -7.921 -5.886 1.00 0.00 C ATOM 445 CG TRP A 30 17.527 -7.114 -6.970 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.456 -7.485 -7.706 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.848 -5.753 -7.387 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.092 -6.451 -8.546 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.905 -5.351 -8.378 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.825 -4.809 -7.006 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.931 -4.079 -8.963 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.853 -3.524 -7.578 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.914 -3.157 -8.556 1.00 0.00 C ATOM 0 H TRP A 30 18.948 -9.041 -3.846 1.00 0.00 H new ATOM 0 HA TRP A 30 18.640 -6.326 -4.515 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.215 -8.086 -6.136 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.692 -8.901 -5.843 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.961 -8.443 -7.646 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.318 -6.496 -9.208 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.563 -5.077 -6.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.206 -3.809 -9.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.603 -2.814 -7.262 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.946 -2.171 -8.994 1.00 0.00 H new ATOM 464 N GLU A 31 16.318 -5.585 -4.270 1.00 0.00 N ATOM 465 CA GLU A 31 14.980 -4.995 -4.176 1.00 0.00 C ATOM 466 C GLU A 31 15.006 -3.598 -4.829 1.00 0.00 C ATOM 467 O GLU A 31 15.948 -2.831 -4.608 1.00 0.00 O ATOM 468 CB GLU A 31 14.554 -4.890 -2.697 1.00 0.00 C ATOM 469 CG GLU A 31 13.117 -4.381 -2.528 1.00 0.00 C ATOM 470 CD GLU A 31 12.710 -4.380 -1.041 1.00 0.00 C ATOM 471 OE1 GLU A 31 12.962 -3.372 -0.337 1.00 0.00 O ATOM 472 OE2 GLU A 31 12.126 -5.385 -0.564 1.00 0.00 O ATOM 0 H GLU A 31 17.039 -4.880 -4.421 1.00 0.00 H new ATOM 0 HA GLU A 31 14.259 -5.625 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.646 -5.869 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.236 -4.220 -2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.033 -3.373 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.433 -5.011 -3.097 1.00 0.00 H new ATOM 479 N SER A 32 13.983 -3.257 -5.624 1.00 0.00 N ATOM 480 CA SER A 32 13.841 -1.925 -6.236 1.00 0.00 C ATOM 481 C SER A 32 12.375 -1.519 -6.467 1.00 0.00 C ATOM 482 O SER A 32 11.468 -2.351 -6.401 1.00 0.00 O ATOM 483 CB SER A 32 14.630 -1.846 -7.532 1.00 0.00 C ATOM 484 OG SER A 32 14.923 -0.480 -7.777 1.00 0.00 O ATOM 0 H SER A 32 13.227 -3.898 -5.863 1.00 0.00 H new ATOM 0 HA SER A 32 14.250 -1.210 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.549 -2.426 -7.456 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.054 -2.267 -8.356 1.00 0.00 H new ATOM 0 HG SER A 32 15.055 -0.341 -8.738 1.00 0.00 H new ATOM 490 N ASP A 33 12.139 -0.230 -6.735 1.00 0.00 N ATOM 491 CA ASP A 33 10.791 0.346 -6.896 1.00 0.00 C ATOM 492 C ASP A 33 10.225 0.222 -8.327 1.00 0.00 C ATOM 493 O ASP A 33 9.005 0.180 -8.516 1.00 0.00 O ATOM 494 CB ASP A 33 10.823 1.812 -6.446 1.00 0.00 C ATOM 495 CG ASP A 33 9.403 2.395 -6.328 1.00 0.00 C ATOM 496 OD1 ASP A 33 8.679 2.024 -5.372 1.00 0.00 O ATOM 497 OD2 ASP A 33 9.016 3.240 -7.168 1.00 0.00 O ATOM 0 H ASP A 33 12.886 0.455 -6.848 1.00 0.00 H new ATOM 0 HA ASP A 33 10.112 -0.233 -6.270 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.330 1.888 -5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.401 2.400 -7.158 1.00 0.00 H new ATOM 502 N TYR A 34 11.104 0.139 -9.334 1.00 0.00 N ATOM 503 CA TYR A 34 10.751 -0.055 -10.749 1.00 0.00 C ATOM 504 C TYR A 34 10.502 -1.545 -11.093 1.00 0.00 C ATOM 505 O TYR A 34 10.437 -2.412 -10.219 1.00 0.00 O ATOM 506 CB TYR A 34 11.826 0.604 -11.642 1.00 0.00 C ATOM 507 CG TYR A 34 13.069 -0.238 -11.858 1.00 0.00 C ATOM 508 CD1 TYR A 34 13.947 -0.460 -10.787 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.320 -0.849 -13.103 1.00 0.00 C ATOM 510 CE1 TYR A 34 15.038 -1.336 -10.921 1.00 0.00 C ATOM 511 CE2 TYR A 34 14.420 -1.715 -13.250 1.00 0.00 C ATOM 512 CZ TYR A 34 15.281 -1.966 -12.162 1.00 0.00 C ATOM 513 OH TYR A 34 16.340 -2.802 -12.326 1.00 0.00 O ATOM 0 H TYR A 34 12.111 0.207 -9.184 1.00 0.00 H new ATOM 0 HA TYR A 34 9.800 0.440 -10.948 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.384 0.832 -12.612 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.119 1.554 -11.194 1.00 0.00 H new ATOM 0 HD1 TYR A 34 13.783 0.048 -9.848 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.670 -0.653 -13.943 1.00 0.00 H new ATOM 0 HE1 TYR A 34 15.687 -1.527 -10.079 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.606 -2.190 -14.202 1.00 0.00 H new ATOM 0 HH TYR A 34 16.348 -3.144 -13.244 1.00 0.00 H new ATOM 523 N THR A 35 10.378 -1.857 -12.389 1.00 0.00 N ATOM 524 CA THR A 35 9.989 -3.175 -12.935 1.00 0.00 C ATOM 525 C THR A 35 11.084 -4.252 -12.805 1.00 0.00 C ATOM 526 O THR A 35 10.852 -5.406 -13.145 1.00 0.00 O ATOM 527 CB THR A 35 9.540 -3.021 -14.407 1.00 0.00 C ATOM 528 OG1 THR A 35 8.953 -1.749 -14.629 1.00 0.00 O ATOM 529 CG2 THR A 35 8.492 -4.055 -14.827 1.00 0.00 C ATOM 0 H THR A 35 10.553 -1.171 -13.123 1.00 0.00 H new ATOM 0 HA THR A 35 9.157 -3.531 -12.328 1.00 0.00 H new ATOM 0 HB THR A 35 10.449 -3.158 -14.993 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.679 -1.674 -15.567 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.219 -3.893 -15.870 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.903 -5.058 -14.711 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.607 -3.951 -14.200 1.00 0.00 H new ATOM 537 N GLY A 36 12.288 -3.925 -12.318 1.00 0.00 N ATOM 538 CA GLY A 36 13.316 -4.921 -11.960 1.00 0.00 C ATOM 539 C GLY A 36 13.891 -5.733 -13.122 1.00 0.00 C ATOM 540 O GLY A 36 14.387 -6.841 -12.928 1.00 0.00 O ATOM 0 H GLY A 36 12.581 -2.961 -12.159 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.136 -4.405 -11.461 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.887 -5.613 -11.235 1.00 0.00 H new ATOM 544 N ASN A 37 13.823 -5.213 -14.348 1.00 0.00 N ATOM 545 CA ASN A 37 14.270 -5.920 -15.553 1.00 0.00 C ATOM 546 C ASN A 37 15.786 -5.782 -15.791 1.00 0.00 C ATOM 547 O ASN A 37 16.229 -5.177 -16.766 1.00 0.00 O ATOM 548 CB ASN A 37 13.435 -5.490 -16.764 1.00 0.00 C ATOM 549 CG ASN A 37 11.939 -5.720 -16.627 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.141 -4.805 -16.741 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.508 -6.942 -16.401 1.00 0.00 N ATOM 0 H ASN A 37 13.453 -4.281 -14.536 1.00 0.00 H new ATOM 0 HA ASN A 37 14.102 -6.986 -15.399 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.609 -4.430 -16.948 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.791 -6.029 -17.642 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.507 -7.123 -16.321 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.174 -7.708 -16.305 1.00 0.00 H new ATOM 558 N LEU A 38 16.581 -6.355 -14.891 1.00 0.00 N ATOM 559 CA LEU A 38 18.052 -6.298 -14.899 1.00 0.00 C ATOM 560 C LEU A 38 18.740 -7.667 -14.960 1.00 0.00 C ATOM 561 O LEU A 38 18.209 -8.647 -14.449 1.00 0.00 O ATOM 562 CB LEU A 38 18.575 -5.466 -13.714 1.00 0.00 C ATOM 563 CG LEU A 38 18.683 -6.184 -12.350 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.241 -5.223 -11.313 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.355 -6.680 -11.791 1.00 0.00 C ATOM 0 H LEU A 38 16.212 -6.892 -14.106 1.00 0.00 H new ATOM 0 HA LEU A 38 18.319 -5.802 -15.832 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.562 -5.085 -13.976 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.922 -4.602 -13.592 1.00 0.00 H new ATOM 0 HG LEU A 38 19.324 -7.046 -12.536 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.317 -5.730 -10.351 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.230 -4.885 -11.624 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.577 -4.364 -11.219 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.524 -7.171 -10.833 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.680 -5.835 -11.652 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.909 -7.389 -12.488 1.00 0.00 H new ATOM 577 N THR A 39 19.949 -7.712 -15.520 1.00 0.00 N ATOM 578 CA THR A 39 20.825 -8.895 -15.542 1.00 0.00 C ATOM 579 C THR A 39 22.283 -8.530 -15.234 1.00 0.00 C ATOM 580 O THR A 39 22.673 -7.362 -15.302 1.00 0.00 O ATOM 581 CB THR A 39 20.686 -9.659 -16.861 1.00 0.00 C ATOM 582 OG1 THR A 39 21.246 -10.935 -16.659 1.00 0.00 O ATOM 583 CG2 THR A 39 21.369 -8.998 -18.055 1.00 0.00 C ATOM 0 H THR A 39 20.363 -6.905 -15.986 1.00 0.00 H new ATOM 0 HA THR A 39 20.499 -9.564 -14.745 1.00 0.00 H new ATOM 0 HB THR A 39 19.626 -9.688 -17.113 1.00 0.00 H new ATOM 0 HG1 THR A 39 22.081 -11.010 -17.167 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.218 -9.609 -18.945 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.941 -8.009 -18.217 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.437 -8.903 -17.857 1.00 0.00 H new ATOM 591 N ILE A 40 23.088 -9.526 -14.858 1.00 0.00 N ATOM 592 CA ILE A 40 24.455 -9.368 -14.339 1.00 0.00 C ATOM 593 C ILE A 40 25.424 -10.084 -15.276 1.00 0.00 C ATOM 594 O ILE A 40 25.280 -11.274 -15.541 1.00 0.00 O ATOM 595 CB ILE A 40 24.552 -9.942 -12.912 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.618 -9.183 -11.942 1.00 0.00 C ATOM 597 CG2 ILE A 40 25.997 -9.921 -12.366 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.357 -9.971 -10.659 1.00 0.00 C ATOM 0 H ILE A 40 22.798 -10.503 -14.907 1.00 0.00 H new ATOM 0 HA ILE A 40 24.713 -8.310 -14.293 1.00 0.00 H new ATOM 0 HB ILE A 40 24.234 -10.982 -12.977 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.062 -8.220 -11.691 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.670 -8.977 -12.439 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.011 -10.336 -11.358 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.639 -10.518 -13.013 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.362 -8.894 -12.341 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.696 -9.398 -10.008 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.887 -10.923 -10.906 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.301 -10.154 -10.146 1.00 0.00 H new ATOM 610 N ASN A 41 26.445 -9.361 -15.726 1.00 0.00 N ATOM 611 CA ASN A 41 27.439 -9.822 -16.688 1.00 0.00 C ATOM 612 C ASN A 41 28.831 -9.671 -16.055 1.00 0.00 C ATOM 613 O ASN A 41 29.062 -8.690 -15.348 1.00 0.00 O ATOM 614 CB ASN A 41 27.305 -8.995 -17.988 1.00 0.00 C ATOM 615 CG ASN A 41 25.868 -8.785 -18.465 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.346 -9.523 -19.287 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.197 -7.761 -17.972 1.00 0.00 N ATOM 0 H ASN A 41 26.608 -8.402 -15.419 1.00 0.00 H new ATOM 0 HA ASN A 41 27.287 -10.871 -16.943 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.768 -8.021 -17.832 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.867 -9.492 -18.779 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.240 -7.584 -18.277 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.635 -7.147 -17.286 1.00 0.00 H new ATOM 624 N GLU A 42 29.772 -10.586 -16.300 1.00 0.00 N ATOM 625 CA GLU A 42 31.171 -10.398 -15.885 1.00 0.00 C ATOM 626 C GLU A 42 32.189 -10.697 -16.994 1.00 0.00 C ATOM 627 O GLU A 42 31.915 -11.494 -17.897 1.00 0.00 O ATOM 628 CB GLU A 42 31.454 -11.167 -14.581 1.00 0.00 C ATOM 629 CG GLU A 42 31.681 -12.665 -14.761 1.00 0.00 C ATOM 630 CD GLU A 42 33.120 -13.093 -15.064 1.00 0.00 C ATOM 631 OE1 GLU A 42 34.077 -12.329 -14.814 1.00 0.00 O ATOM 632 OE2 GLU A 42 33.252 -14.250 -15.518 1.00 0.00 O ATOM 0 H GLU A 42 29.594 -11.466 -16.784 1.00 0.00 H new ATOM 0 HA GLU A 42 31.305 -9.336 -15.681 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.334 -10.735 -14.104 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.617 -11.020 -13.899 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.355 -13.174 -13.854 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.040 -13.015 -15.571 1.00 0.00 H new ATOM 639 N ARG A 43 33.370 -10.065 -16.913 1.00 0.00 N ATOM 640 CA ARG A 43 34.531 -10.363 -17.766 1.00 0.00 C ATOM 641 C ARG A 43 35.734 -10.776 -16.905 1.00 0.00 C ATOM 642 O ARG A 43 36.256 -9.927 -16.173 1.00 0.00 O ATOM 643 CB ARG A 43 34.841 -9.177 -18.694 1.00 0.00 C ATOM 644 CG ARG A 43 35.837 -9.575 -19.796 1.00 0.00 C ATOM 645 CD ARG A 43 36.102 -8.403 -20.748 1.00 0.00 C ATOM 646 NE ARG A 43 37.037 -8.789 -21.823 1.00 0.00 N ATOM 647 CZ ARG A 43 37.423 -8.041 -22.845 1.00 0.00 C ATOM 648 NH1 ARG A 43 37.001 -6.818 -23.007 1.00 0.00 N ATOM 649 NH2 ARG A 43 38.247 -8.516 -23.734 1.00 0.00 N ATOM 0 H ARG A 43 33.548 -9.319 -16.241 1.00 0.00 H new ATOM 0 HA ARG A 43 34.296 -11.210 -18.411 1.00 0.00 H new ATOM 0 HB2 ARG A 43 33.918 -8.817 -19.148 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.252 -8.353 -18.110 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.774 -9.900 -19.344 1.00 0.00 H new ATOM 0 HG3 ARG A 43 35.444 -10.422 -20.358 1.00 0.00 H new ATOM 0 HD2 ARG A 43 35.162 -8.066 -21.184 1.00 0.00 H new ATOM 0 HD3 ARG A 43 36.514 -7.563 -20.189 1.00 0.00 H new ATOM 0 HE ARG A 43 37.426 -9.730 -21.773 1.00 0.00 H new ATOM 0 HH11 ARG A 43 36.353 -6.409 -22.334 1.00 0.00 H new ATOM 0 HH12 ARG A 43 37.319 -6.270 -23.806 1.00 0.00 H new ATOM 0 HH21 ARG A 43 38.599 -9.469 -23.645 1.00 0.00 H new ATOM 0 HH22 ARG A 43 38.541 -7.935 -24.519 1.00 0.00 H new ATOM 663 N PRO A 44 36.205 -12.031 -17.011 1.00 0.00 N ATOM 664 CA PRO A 44 37.280 -12.555 -16.175 1.00 0.00 C ATOM 665 C PRO A 44 38.654 -12.149 -16.733 1.00 0.00 C ATOM 666 O PRO A 44 38.897 -12.243 -17.940 1.00 0.00 O ATOM 667 CB PRO A 44 37.046 -14.070 -16.162 1.00 0.00 C ATOM 668 CG PRO A 44 36.428 -14.357 -17.529 1.00 0.00 C ATOM 669 CD PRO A 44 35.612 -13.101 -17.806 1.00 0.00 C ATOM 0 HA PRO A 44 37.275 -12.156 -15.161 1.00 0.00 H new ATOM 0 HB2 PRO A 44 37.978 -14.617 -16.022 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.379 -14.364 -15.352 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.191 -14.519 -18.291 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.802 -15.249 -17.510 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.633 -12.852 -18.867 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.567 -13.251 -17.535 1.00 0.00 H new ATOM 677 N SER A 45 39.566 -11.697 -15.864 1.00 0.00 N ATOM 678 CA SER A 45 40.935 -11.318 -16.246 1.00 0.00 C ATOM 679 C SER A 45 41.928 -11.464 -15.088 1.00 0.00 C ATOM 680 O SER A 45 41.789 -10.832 -14.036 1.00 0.00 O ATOM 681 CB SER A 45 40.956 -9.886 -16.784 1.00 0.00 C ATOM 682 OG SER A 45 42.228 -9.626 -17.355 1.00 0.00 O ATOM 0 H SER A 45 39.375 -11.583 -14.869 1.00 0.00 H new ATOM 0 HA SER A 45 41.252 -12.006 -17.029 1.00 0.00 H new ATOM 0 HB2 SER A 45 40.174 -9.753 -17.531 1.00 0.00 H new ATOM 0 HB3 SER A 45 40.753 -9.179 -15.980 1.00 0.00 H new ATOM 0 HG SER A 45 42.161 -8.866 -17.970 1.00 0.00 H new ATOM 688 N ALA A 46 42.986 -12.254 -15.302 1.00 0.00 N ATOM 689 CA ALA A 46 43.979 -12.606 -14.279 1.00 0.00 C ATOM 690 C ALA A 46 44.845 -11.426 -13.787 1.00 0.00 C ATOM 691 O ALA A 46 45.533 -11.546 -12.770 1.00 0.00 O ATOM 692 CB ALA A 46 44.836 -13.755 -14.827 1.00 0.00 C ATOM 0 H ALA A 46 43.181 -12.676 -16.210 1.00 0.00 H new ATOM 0 HA ALA A 46 43.440 -12.917 -13.384 1.00 0.00 H new ATOM 0 HB1 ALA A 46 45.584 -14.037 -14.086 1.00 0.00 H new ATOM 0 HB2 ALA A 46 44.199 -14.612 -15.044 1.00 0.00 H new ATOM 0 HB3 ALA A 46 45.335 -13.433 -15.741 1.00 0.00 H new ATOM 698 N ARG A 47 44.758 -10.265 -14.454 1.00 0.00 N ATOM 699 CA ARG A 47 45.308 -8.977 -13.991 1.00 0.00 C ATOM 700 C ARG A 47 44.841 -8.582 -12.579 1.00 0.00 C ATOM 701 O ARG A 47 45.595 -7.927 -11.860 1.00 0.00 O ATOM 702 CB ARG A 47 44.952 -7.883 -15.021 1.00 0.00 C ATOM 703 CG ARG A 47 43.447 -7.547 -15.063 1.00 0.00 C ATOM 704 CD ARG A 47 43.032 -6.777 -16.321 1.00 0.00 C ATOM 705 NE ARG A 47 43.519 -5.382 -16.313 1.00 0.00 N ATOM 706 CZ ARG A 47 43.317 -4.477 -17.256 1.00 0.00 C ATOM 707 NH1 ARG A 47 42.656 -4.750 -18.348 1.00 0.00 N ATOM 708 NH2 ARG A 47 43.777 -3.266 -17.120 1.00 0.00 N ATOM 0 H ARG A 47 44.290 -10.192 -15.357 1.00 0.00 H new ATOM 0 HA ARG A 47 46.390 -9.087 -13.915 1.00 0.00 H new ATOM 0 HB2 ARG A 47 45.512 -6.978 -14.787 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.272 -8.209 -16.011 1.00 0.00 H new ATOM 0 HG2 ARG A 47 42.874 -8.472 -15.006 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.189 -6.958 -14.183 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.419 -7.289 -17.202 1.00 0.00 H new ATOM 0 HD3 ARG A 47 41.945 -6.779 -16.403 1.00 0.00 H new ATOM 0 HE ARG A 47 44.064 -5.089 -15.502 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.277 -5.686 -18.494 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.519 -4.028 -19.055 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.298 -3.009 -16.281 1.00 0.00 H new ATOM 0 HH22 ARG A 47 43.617 -2.574 -17.852 1.00 0.00 H new ATOM 722 N ALA A 48 43.608 -8.954 -12.201 1.00 0.00 N ATOM 723 CA ALA A 48 42.983 -8.524 -10.943 1.00 0.00 C ATOM 724 C ALA A 48 41.793 -9.376 -10.439 1.00 0.00 C ATOM 725 O ALA A 48 41.550 -9.382 -9.232 1.00 0.00 O ATOM 726 CB ALA A 48 42.527 -7.069 -11.141 1.00 0.00 C ATOM 0 H ALA A 48 43.015 -9.564 -12.763 1.00 0.00 H new ATOM 0 HA ALA A 48 43.737 -8.646 -10.166 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.055 -6.708 -10.227 1.00 0.00 H new ATOM 0 HB2 ALA A 48 43.390 -6.446 -11.374 1.00 0.00 H new ATOM 0 HB3 ALA A 48 41.812 -7.020 -11.962 1.00 0.00 H new ATOM 732 N GLY A 49 41.032 -10.066 -11.304 1.00 0.00 N ATOM 733 CA GLY A 49 39.775 -10.732 -10.919 1.00 0.00 C ATOM 734 C GLY A 49 38.717 -10.702 -12.027 1.00 0.00 C ATOM 735 O GLY A 49 38.891 -11.344 -13.065 1.00 0.00 O ATOM 0 H GLY A 49 41.270 -10.178 -12.290 1.00 0.00 H new ATOM 0 HA2 GLY A 49 39.986 -11.768 -10.654 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.373 -10.250 -10.028 1.00 0.00 H new ATOM 739 N SER A 50 37.623 -9.964 -11.818 1.00 0.00 N ATOM 740 CA SER A 50 36.534 -9.804 -12.794 1.00 0.00 C ATOM 741 C SER A 50 36.023 -8.364 -12.898 1.00 0.00 C ATOM 742 O SER A 50 35.863 -7.667 -11.894 1.00 0.00 O ATOM 743 CB SER A 50 35.358 -10.737 -12.480 1.00 0.00 C ATOM 744 OG SER A 50 34.930 -10.635 -11.133 1.00 0.00 O ATOM 0 H SER A 50 37.464 -9.451 -10.951 1.00 0.00 H new ATOM 0 HA SER A 50 36.968 -10.073 -13.757 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.524 -10.501 -13.142 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.649 -11.766 -12.689 1.00 0.00 H new ATOM 0 HG SER A 50 34.179 -11.246 -10.981 1.00 0.00 H new ATOM 750 N TRP A 51 35.681 -7.931 -14.115 1.00 0.00 N ATOM 751 CA TRP A 51 34.762 -6.807 -14.295 1.00 0.00 C ATOM 752 C TRP A 51 33.345 -7.307 -14.049 1.00 0.00 C ATOM 753 O TRP A 51 32.986 -8.338 -14.604 1.00 0.00 O ATOM 754 CB TRP A 51 34.861 -6.236 -15.716 1.00 0.00 C ATOM 755 CG TRP A 51 35.723 -5.029 -15.861 1.00 0.00 C ATOM 756 CD1 TRP A 51 36.953 -4.995 -16.420 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.421 -3.657 -15.464 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.441 -3.703 -16.384 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.532 -2.833 -15.816 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.315 -3.028 -14.847 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.548 -1.452 -15.565 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.325 -1.643 -14.593 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.432 -0.856 -14.952 1.00 0.00 C ATOM 0 H TRP A 51 36.025 -8.340 -14.984 1.00 0.00 H new ATOM 0 HA TRP A 51 35.022 -6.014 -13.593 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.242 -7.015 -16.377 1.00 0.00 H new ATOM 0 HB3 TRP A 51 33.857 -5.988 -16.061 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.474 -5.847 -16.832 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.358 -3.426 -16.733 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.453 -3.616 -14.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.406 -0.856 -15.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.473 -1.181 -14.117 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.426 0.206 -14.757 1.00 0.00 H new ATOM 774 N ILE A 52 32.533 -6.574 -13.292 1.00 0.00 N ATOM 775 CA ILE A 52 31.089 -6.793 -13.141 1.00 0.00 C ATOM 776 C ILE A 52 30.344 -5.645 -13.809 1.00 0.00 C ATOM 777 O ILE A 52 30.639 -4.483 -13.536 1.00 0.00 O ATOM 778 CB ILE A 52 30.692 -6.909 -11.653 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.490 -7.984 -10.892 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.184 -7.183 -11.510 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.379 -9.396 -11.478 1.00 0.00 C ATOM 0 H ILE A 52 32.870 -5.782 -12.745 1.00 0.00 H new ATOM 0 HA ILE A 52 30.819 -7.734 -13.621 1.00 0.00 H new ATOM 0 HB ILE A 52 30.937 -5.948 -11.201 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.540 -7.694 -10.875 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.149 -8.007 -9.857 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.927 -7.261 -10.454 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.621 -6.366 -11.961 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.934 -8.117 -12.014 1.00 0.00 H new ATOM 0 HD11 ILE A 52 31.972 -10.086 -10.879 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.336 -9.712 -11.470 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.750 -9.395 -12.503 1.00 0.00 H new ATOM 793 N THR A 53 29.350 -5.970 -14.633 1.00 0.00 N ATOM 794 CA THR A 53 28.561 -5.011 -15.416 1.00 0.00 C ATOM 795 C THR A 53 27.089 -5.404 -15.354 1.00 0.00 C ATOM 796 O THR A 53 26.698 -6.462 -15.848 1.00 0.00 O ATOM 797 CB THR A 53 29.065 -4.971 -16.872 1.00 0.00 C ATOM 798 OG1 THR A 53 30.436 -4.629 -16.890 1.00 0.00 O ATOM 799 CG2 THR A 53 28.349 -3.916 -17.713 1.00 0.00 C ATOM 0 H THR A 53 29.060 -6.936 -14.781 1.00 0.00 H new ATOM 0 HA THR A 53 28.675 -4.011 -14.997 1.00 0.00 H new ATOM 0 HB THR A 53 28.875 -5.960 -17.288 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.755 -4.606 -17.816 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.743 -3.932 -18.729 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.281 -4.132 -17.735 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.511 -2.931 -17.276 1.00 0.00 H new ATOM 807 N ILE A 54 26.254 -4.557 -14.755 1.00 0.00 N ATOM 808 CA ILE A 54 24.804 -4.770 -14.648 1.00 0.00 C ATOM 809 C ILE A 54 24.091 -3.965 -15.733 1.00 0.00 C ATOM 810 O ILE A 54 24.323 -2.764 -15.912 1.00 0.00 O ATOM 811 CB ILE A 54 24.305 -4.557 -13.198 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.777 -4.669 -12.995 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.844 -3.264 -12.572 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.928 -3.484 -13.479 1.00 0.00 C ATOM 0 H ILE A 54 26.567 -3.688 -14.322 1.00 0.00 H new ATOM 0 HA ILE A 54 24.550 -5.811 -14.845 1.00 0.00 H new ATOM 0 HB ILE A 54 24.729 -5.408 -12.664 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.431 -5.567 -13.507 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.585 -4.814 -11.932 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.462 -3.165 -11.556 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.933 -3.297 -12.549 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.520 -2.409 -13.166 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.875 -3.685 -13.280 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.231 -2.580 -12.951 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.074 -3.345 -14.550 1.00 0.00 H new ATOM 826 N THR A 55 23.215 -4.648 -16.466 1.00 0.00 N ATOM 827 CA THR A 55 22.441 -4.090 -17.578 1.00 0.00 C ATOM 828 C THR A 55 20.940 -4.184 -17.298 1.00 0.00 C ATOM 829 O THR A 55 20.461 -5.188 -16.776 1.00 0.00 O ATOM 830 CB THR A 55 22.811 -4.776 -18.908 1.00 0.00 C ATOM 831 OG1 THR A 55 22.763 -6.179 -18.773 1.00 0.00 O ATOM 832 CG2 THR A 55 24.239 -4.466 -19.355 1.00 0.00 C ATOM 0 H THR A 55 23.016 -5.635 -16.300 1.00 0.00 H new ATOM 0 HA THR A 55 22.694 -3.034 -17.672 1.00 0.00 H new ATOM 0 HB THR A 55 22.091 -4.398 -19.634 1.00 0.00 H new ATOM 0 HG1 THR A 55 22.999 -6.598 -19.627 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.444 -4.975 -20.297 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.352 -3.391 -19.492 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.941 -4.811 -18.596 1.00 0.00 H new ATOM 840 N VAL A 56 20.183 -3.135 -17.636 1.00 0.00 N ATOM 841 CA VAL A 56 18.709 -3.101 -17.592 1.00 0.00 C ATOM 842 C VAL A 56 18.183 -3.290 -19.011 1.00 0.00 C ATOM 843 O VAL A 56 18.467 -2.485 -19.893 1.00 0.00 O ATOM 844 CB VAL A 56 18.197 -1.820 -16.898 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.721 -1.505 -17.170 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.336 -2.019 -15.386 1.00 0.00 C ATOM 0 H VAL A 56 20.588 -2.256 -17.959 1.00 0.00 H new ATOM 0 HA VAL A 56 18.323 -3.917 -16.981 1.00 0.00 H new ATOM 0 HB VAL A 56 18.789 -0.994 -17.293 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.442 -0.591 -16.646 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.569 -1.371 -18.241 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.102 -2.329 -16.816 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.981 -1.128 -14.868 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.743 -2.879 -15.076 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.383 -2.191 -15.136 1.00 0.00 H new ATOM 856 N ASN A 57 17.451 -4.384 -19.227 1.00 0.00 N ATOM 857 CA ASN A 57 17.025 -4.946 -20.521 1.00 0.00 C ATOM 858 C ASN A 57 18.192 -5.217 -21.496 1.00 0.00 C ATOM 859 O ASN A 57 18.568 -6.369 -21.714 1.00 0.00 O ATOM 860 CB ASN A 57 15.900 -4.098 -21.149 1.00 0.00 C ATOM 861 CG ASN A 57 14.653 -4.039 -20.283 1.00 0.00 C ATOM 862 OD1 ASN A 57 13.936 -5.014 -20.118 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.363 -2.897 -19.701 1.00 0.00 N ATOM 0 H ASN A 57 17.112 -4.947 -18.447 1.00 0.00 H new ATOM 0 HA ASN A 57 16.613 -5.933 -20.312 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.266 -3.086 -21.319 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.641 -4.511 -22.124 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.536 -2.822 -19.108 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.965 -2.086 -19.842 1.00 0.00 H new ATOM 870 N GLN A 58 18.762 -4.151 -22.065 1.00 0.00 N ATOM 871 CA GLN A 58 19.879 -4.160 -23.021 1.00 0.00 C ATOM 872 C GLN A 58 20.871 -2.989 -22.823 1.00 0.00 C ATOM 873 O GLN A 58 21.775 -2.796 -23.637 1.00 0.00 O ATOM 874 CB GLN A 58 19.308 -4.202 -24.452 1.00 0.00 C ATOM 875 CG GLN A 58 18.386 -3.017 -24.793 1.00 0.00 C ATOM 876 CD GLN A 58 17.998 -3.012 -26.271 1.00 0.00 C ATOM 877 OE1 GLN A 58 18.529 -2.265 -27.084 1.00 0.00 O ATOM 878 NE2 GLN A 58 17.067 -3.850 -26.686 1.00 0.00 N ATOM 0 H GLN A 58 18.440 -3.205 -21.861 1.00 0.00 H new ATOM 0 HA GLN A 58 20.474 -5.055 -22.838 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.135 -4.222 -25.162 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.753 -5.131 -24.584 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.486 -3.068 -24.180 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.888 -2.082 -24.545 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.615 -4.479 -26.023 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.800 -3.869 -27.670 1.00 0.00 H new ATOM 887 N ASP A 59 20.715 -2.201 -21.751 1.00 0.00 N ATOM 888 CA ASP A 59 21.464 -0.959 -21.498 1.00 0.00 C ATOM 889 C ASP A 59 22.301 -1.061 -20.220 1.00 0.00 C ATOM 890 O ASP A 59 21.782 -1.436 -19.170 1.00 0.00 O ATOM 891 CB ASP A 59 20.481 0.217 -21.391 1.00 0.00 C ATOM 892 CG ASP A 59 19.866 0.583 -22.751 1.00 0.00 C ATOM 893 OD1 ASP A 59 18.648 0.361 -22.953 1.00 0.00 O ATOM 894 OD2 ASP A 59 20.598 1.121 -23.616 1.00 0.00 O ATOM 0 H ASP A 59 20.045 -2.415 -21.013 1.00 0.00 H new ATOM 0 HA ASP A 59 22.148 -0.794 -22.331 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.685 -0.039 -20.691 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.998 1.085 -20.982 1.00 0.00 H new ATOM 899 N VAL A 60 23.589 -0.706 -20.266 1.00 0.00 N ATOM 900 CA VAL A 60 24.435 -0.648 -19.059 1.00 0.00 C ATOM 901 C VAL A 60 24.086 0.566 -18.196 1.00 0.00 C ATOM 902 O VAL A 60 23.878 1.667 -18.708 1.00 0.00 O ATOM 903 CB VAL A 60 25.942 -0.734 -19.396 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.453 0.402 -20.290 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.804 -0.775 -18.127 1.00 0.00 C ATOM 0 H VAL A 60 24.074 -0.453 -21.127 1.00 0.00 H new ATOM 0 HA VAL A 60 24.216 -1.533 -18.461 1.00 0.00 H new ATOM 0 HB VAL A 60 26.038 -1.665 -19.954 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.518 0.266 -20.478 1.00 0.00 H new ATOM 0 HG12 VAL A 60 25.913 0.391 -21.237 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.292 1.358 -19.792 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.857 -0.835 -18.404 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.634 0.129 -17.542 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.535 -1.648 -17.532 1.00 0.00 H new ATOM 915 N ILE A 61 24.041 0.358 -16.873 1.00 0.00 N ATOM 916 CA ILE A 61 23.780 1.421 -15.887 1.00 0.00 C ATOM 917 C ILE A 61 24.806 1.491 -14.754 1.00 0.00 C ATOM 918 O ILE A 61 25.015 2.570 -14.201 1.00 0.00 O ATOM 919 CB ILE A 61 22.359 1.302 -15.304 1.00 0.00 C ATOM 920 CG1 ILE A 61 21.968 -0.128 -14.887 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.335 1.890 -16.284 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.799 -0.116 -13.899 1.00 0.00 C ATOM 0 H ILE A 61 24.186 -0.559 -16.451 1.00 0.00 H new ATOM 0 HA ILE A 61 23.872 2.354 -16.444 1.00 0.00 H new ATOM 0 HB ILE A 61 22.358 1.881 -14.381 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.695 -0.706 -15.770 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.826 -0.625 -14.434 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.334 1.801 -15.862 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.562 2.941 -16.460 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.381 1.346 -17.228 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.545 -1.140 -13.623 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.083 0.441 -13.006 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.935 0.359 -14.363 1.00 0.00 H new ATOM 934 N PHE A 62 25.463 0.376 -14.414 1.00 0.00 N ATOM 935 CA PHE A 62 26.534 0.354 -13.417 1.00 0.00 C ATOM 936 C PHE A 62 27.539 -0.758 -13.721 1.00 0.00 C ATOM 937 O PHE A 62 27.180 -1.823 -14.226 1.00 0.00 O ATOM 938 CB PHE A 62 25.930 0.240 -12.004 1.00 0.00 C ATOM 939 CG PHE A 62 26.957 -0.008 -10.908 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.843 1.024 -10.547 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.095 -1.278 -10.310 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.867 0.786 -9.614 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.129 -1.520 -9.383 1.00 0.00 C ATOM 944 CZ PHE A 62 29.010 -0.485 -9.034 1.00 0.00 C ATOM 0 H PHE A 62 25.265 -0.537 -14.824 1.00 0.00 H new ATOM 0 HA PHE A 62 27.090 1.290 -13.461 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.387 1.157 -11.777 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.202 -0.571 -11.996 1.00 0.00 H new ATOM 0 HD1 PHE A 62 27.736 2.004 -10.989 1.00 0.00 H new ATOM 0 HD2 PHE A 62 26.405 -2.069 -10.564 1.00 0.00 H new ATOM 0 HE1 PHE A 62 29.545 1.582 -9.343 1.00 0.00 H new ATOM 0 HE2 PHE A 62 28.243 -2.499 -8.942 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.799 -0.666 -8.319 1.00 0.00 H new ATOM 954 N GLN A 63 28.808 -0.502 -13.412 1.00 0.00 N ATOM 955 CA GLN A 63 29.891 -1.477 -13.527 1.00 0.00 C ATOM 956 C GLN A 63 31.053 -1.170 -12.568 1.00 0.00 C ATOM 957 O GLN A 63 31.342 -0.008 -12.278 1.00 0.00 O ATOM 958 CB GLN A 63 30.355 -1.592 -14.993 1.00 0.00 C ATOM 959 CG GLN A 63 30.870 -0.291 -15.630 1.00 0.00 C ATOM 960 CD GLN A 63 31.186 -0.479 -17.114 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.596 0.143 -17.987 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.123 -1.337 -17.463 1.00 0.00 N ATOM 0 H GLN A 63 29.119 0.407 -13.068 1.00 0.00 H new ATOM 0 HA GLN A 63 29.503 -2.449 -13.222 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.146 -2.340 -15.048 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.523 -1.964 -15.591 1.00 0.00 H new ATOM 0 HG2 GLN A 63 30.122 0.493 -15.513 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.766 0.042 -15.106 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.624 -1.864 -16.748 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.347 -1.475 -18.449 1.00 0.00 H new ATOM 971 N THR A 64 31.719 -2.217 -12.076 1.00 0.00 N ATOM 972 CA THR A 64 32.826 -2.134 -11.102 1.00 0.00 C ATOM 973 C THR A 64 33.757 -3.347 -11.197 1.00 0.00 C ATOM 974 O THR A 64 33.392 -4.368 -11.781 1.00 0.00 O ATOM 975 CB THR A 64 32.259 -1.979 -9.681 1.00 0.00 C ATOM 976 OG1 THR A 64 33.305 -1.705 -8.776 1.00 0.00 O ATOM 977 CG2 THR A 64 31.493 -3.211 -9.185 1.00 0.00 C ATOM 0 H THR A 64 31.502 -3.176 -12.348 1.00 0.00 H new ATOM 0 HA THR A 64 33.426 -1.256 -11.340 1.00 0.00 H new ATOM 0 HB THR A 64 31.549 -1.154 -9.729 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.938 -1.605 -7.873 1.00 0.00 H new ATOM 0 HG21 THR A 64 31.123 -3.028 -8.176 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.652 -3.409 -9.850 1.00 0.00 H new ATOM 0 HG23 THR A 64 32.159 -4.074 -9.176 1.00 0.00 H new ATOM 985 N PHE A 65 34.960 -3.260 -10.626 1.00 0.00 N ATOM 986 CA PHE A 65 35.929 -4.357 -10.599 1.00 0.00 C ATOM 987 C PHE A 65 35.858 -5.133 -9.270 1.00 0.00 C ATOM 988 O PHE A 65 35.924 -4.536 -8.192 1.00 0.00 O ATOM 989 CB PHE A 65 37.338 -3.814 -10.896 1.00 0.00 C ATOM 990 CG PHE A 65 38.161 -4.757 -11.748 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.607 -5.978 -11.216 1.00 0.00 C ATOM 992 CD2 PHE A 65 38.434 -4.442 -13.092 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.260 -6.908 -12.041 1.00 0.00 C ATOM 994 CE2 PHE A 65 39.127 -5.356 -13.904 1.00 0.00 C ATOM 995 CZ PHE A 65 39.517 -6.601 -13.388 1.00 0.00 C ATOM 0 H PHE A 65 35.293 -2.414 -10.163 1.00 0.00 H new ATOM 0 HA PHE A 65 35.680 -5.075 -11.380 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.253 -2.853 -11.404 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.859 -3.633 -9.956 1.00 0.00 H new ATOM 0 HD1 PHE A 65 38.448 -6.202 -10.172 1.00 0.00 H new ATOM 0 HD2 PHE A 65 38.110 -3.496 -13.500 1.00 0.00 H new ATOM 0 HE1 PHE A 65 39.566 -7.863 -11.639 1.00 0.00 H new ATOM 0 HE2 PHE A 65 39.360 -5.100 -14.927 1.00 0.00 H new ATOM 0 HZ PHE A 65 40.013 -7.320 -14.023 1.00 0.00 H new ATOM 1005 N LEU A 66 35.741 -6.464 -9.341 1.00 0.00 N ATOM 1006 CA LEU A 66 35.836 -7.380 -8.201 1.00 0.00 C ATOM 1007 C LEU A 66 37.219 -8.041 -8.114 1.00 0.00 C ATOM 1008 O LEU A 66 37.803 -8.439 -9.124 1.00 0.00 O ATOM 1009 CB LEU A 66 34.753 -8.465 -8.284 1.00 0.00 C ATOM 1010 CG LEU A 66 33.378 -8.118 -7.708 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.508 -9.364 -7.844 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.409 -7.784 -6.214 1.00 0.00 C ATOM 0 H LEU A 66 35.572 -6.948 -10.223 1.00 0.00 H new ATOM 0 HA LEU A 66 35.684 -6.785 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.623 -8.735 -9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.122 -9.352 -7.770 1.00 0.00 H new ATOM 0 HG LEU A 66 33.010 -7.245 -8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.515 -9.160 -7.444 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.426 -9.638 -8.896 1.00 0.00 H new ATOM 0 HD13 LEU A 66 32.961 -10.186 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.401 -7.548 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.789 -8.641 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 66 34.059 -6.925 -6.047 1.00 0.00 H new ATOM 1024 N PHE A 67 37.692 -8.227 -6.880 1.00 0.00 N ATOM 1025 CA PHE A 67 38.984 -8.850 -6.559 1.00 0.00 C ATOM 1026 C PHE A 67 38.792 -10.077 -5.638 1.00 0.00 C ATOM 1027 O PHE A 67 38.065 -9.979 -4.647 1.00 0.00 O ATOM 1028 CB PHE A 67 39.902 -7.811 -5.895 1.00 0.00 C ATOM 1029 CG PHE A 67 40.172 -6.545 -6.693 1.00 0.00 C ATOM 1030 CD1 PHE A 67 41.370 -6.403 -7.419 1.00 0.00 C ATOM 1031 CD2 PHE A 67 39.250 -5.480 -6.664 1.00 0.00 C ATOM 1032 CE1 PHE A 67 41.638 -5.209 -8.114 1.00 0.00 C ATOM 1033 CE2 PHE A 67 39.507 -4.297 -7.378 1.00 0.00 C ATOM 1034 CZ PHE A 67 40.701 -4.161 -8.106 1.00 0.00 C ATOM 0 H PHE A 67 37.173 -7.941 -6.050 1.00 0.00 H new ATOM 0 HA PHE A 67 39.447 -9.199 -7.482 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.462 -7.526 -4.939 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.857 -8.288 -5.676 1.00 0.00 H new ATOM 0 HD1 PHE A 67 42.085 -7.212 -7.443 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.340 -5.573 -6.090 1.00 0.00 H new ATOM 0 HE1 PHE A 67 42.566 -5.097 -8.655 1.00 0.00 H new ATOM 0 HE2 PHE A 67 38.787 -3.492 -7.367 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.898 -3.254 -8.658 1.00 0.00 H new ATOM 1044 N PRO A 68 39.442 -11.226 -5.921 1.00 0.00 N ATOM 1045 CA PRO A 68 39.280 -12.466 -5.151 1.00 0.00 C ATOM 1046 C PRO A 68 40.098 -12.490 -3.843 1.00 0.00 C ATOM 1047 O PRO A 68 39.685 -13.122 -2.870 1.00 0.00 O ATOM 1048 CB PRO A 68 39.727 -13.573 -6.111 1.00 0.00 C ATOM 1049 CG PRO A 68 40.801 -12.882 -6.949 1.00 0.00 C ATOM 1050 CD PRO A 68 40.248 -11.476 -7.106 1.00 0.00 C ATOM 0 HA PRO A 68 38.249 -12.583 -4.816 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.124 -14.436 -5.576 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.902 -13.932 -6.727 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.769 -12.883 -6.448 1.00 0.00 H new ATOM 0 HG3 PRO A 68 40.941 -13.372 -7.912 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.054 -10.747 -7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.647 -11.392 -8.011 1.00 0.00 H new ATOM 1058 N LEU A 69 41.252 -11.804 -3.812 1.00 0.00 N ATOM 1059 CA LEU A 69 42.168 -11.767 -2.658 1.00 0.00 C ATOM 1060 C LEU A 69 41.753 -10.718 -1.604 1.00 0.00 C ATOM 1061 O LEU A 69 42.071 -10.862 -0.422 1.00 0.00 O ATOM 1062 CB LEU A 69 43.590 -11.517 -3.205 1.00 0.00 C ATOM 1063 CG LEU A 69 44.728 -11.557 -2.165 1.00 0.00 C ATOM 1064 CD1 LEU A 69 44.846 -12.916 -1.472 1.00 0.00 C ATOM 1065 CD2 LEU A 69 46.060 -11.264 -2.859 1.00 0.00 C ATOM 0 H LEU A 69 41.581 -11.249 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 69 42.132 -12.719 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.799 -12.262 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 69 43.604 -10.543 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 69 44.494 -10.807 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 69 45.663 -12.887 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 69 43.913 -13.143 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 69 45.046 -13.687 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 69 46.866 -11.292 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 69 46.243 -12.015 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 69 46.021 -10.276 -3.319 1.00 0.00 H new ATOM 1077 N LYS A 70 41.037 -9.669 -2.033 1.00 0.00 N ATOM 1078 CA LYS A 70 40.552 -8.570 -1.174 1.00 0.00 C ATOM 1079 C LYS A 70 39.223 -8.923 -0.484 1.00 0.00 C ATOM 1080 O LYS A 70 38.511 -9.837 -0.904 1.00 0.00 O ATOM 1081 CB LYS A 70 40.430 -7.262 -1.982 1.00 0.00 C ATOM 1082 CG LYS A 70 41.732 -6.841 -2.687 1.00 0.00 C ATOM 1083 CD LYS A 70 41.563 -5.473 -3.368 1.00 0.00 C ATOM 1084 CE LYS A 70 42.806 -5.126 -4.199 1.00 0.00 C ATOM 1085 NZ LYS A 70 42.655 -3.816 -4.896 1.00 0.00 N ATOM 0 H LYS A 70 40.770 -9.555 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 70 41.289 -8.419 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 70 39.645 -7.380 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 70 40.115 -6.461 -1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 70 42.545 -6.794 -1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 70 42.009 -7.590 -3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 70 40.682 -5.487 -4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 70 41.396 -4.704 -2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 70 43.681 -5.094 -3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 70 42.983 -5.911 -4.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 43.569 -3.319 -4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 42.341 -3.977 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 41.950 -3.237 -4.397 1.00 0.00 H new ATOM 1099 N ARG A 71 38.873 -8.162 0.563 1.00 0.00 N ATOM 1100 CA ARG A 71 37.664 -8.362 1.400 1.00 0.00 C ATOM 1101 C ARG A 71 36.484 -7.441 1.045 1.00 0.00 C ATOM 1102 O ARG A 71 35.483 -7.421 1.758 1.00 0.00 O ATOM 1103 CB ARG A 71 38.053 -8.297 2.892 1.00 0.00 C ATOM 1104 CG ARG A 71 39.052 -9.402 3.276 1.00 0.00 C ATOM 1105 CD ARG A 71 39.345 -9.391 4.782 1.00 0.00 C ATOM 1106 NE ARG A 71 40.330 -10.431 5.145 1.00 0.00 N ATOM 1107 CZ ARG A 71 40.099 -11.702 5.434 1.00 0.00 C ATOM 1108 NH1 ARG A 71 38.899 -12.214 5.428 1.00 0.00 N ATOM 1109 NH2 ARG A 71 41.087 -12.495 5.735 1.00 0.00 N ATOM 0 H ARG A 71 39.434 -7.366 0.866 1.00 0.00 H new ATOM 0 HA ARG A 71 37.279 -9.358 1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 71 38.489 -7.322 3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 71 37.156 -8.390 3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 71 38.651 -10.374 2.989 1.00 0.00 H new ATOM 0 HG3 ARG A 71 39.980 -9.264 2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 71 39.723 -8.411 5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 71 38.420 -9.554 5.336 1.00 0.00 H new ATOM 0 HE ARG A 71 41.305 -10.134 5.177 1.00 0.00 H new ATOM 0 HH11 ARG A 71 38.096 -11.630 5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 71 38.764 -13.199 5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 71 42.042 -12.137 5.749 1.00 0.00 H new ATOM 0 HH22 ARG A 71 40.906 -13.474 5.957 1.00 0.00 H new ATOM 1123 N ASP A 72 36.569 -6.693 -0.059 1.00 0.00 N ATOM 1124 CA ASP A 72 35.515 -5.753 -0.480 1.00 0.00 C ATOM 1125 C ASP A 72 34.261 -6.417 -1.059 1.00 0.00 C ATOM 1126 O ASP A 72 33.233 -5.752 -1.118 1.00 0.00 O ATOM 1127 CB ASP A 72 36.049 -4.721 -1.483 1.00 0.00 C ATOM 1128 CG ASP A 72 36.265 -5.317 -2.890 1.00 0.00 C ATOM 1129 OD1 ASP A 72 35.333 -5.242 -3.729 1.00 0.00 O ATOM 1130 OD2 ASP A 72 37.361 -5.869 -3.139 1.00 0.00 O ATOM 0 H ASP A 72 37.370 -6.719 -0.690 1.00 0.00 H new ATOM 0 HA ASP A 72 35.212 -5.259 0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 72 35.349 -3.888 -1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 72 36.992 -4.317 -1.115 1.00 0.00 H new ATOM 1135 N PHE A 73 34.311 -7.691 -1.469 1.00 0.00 N ATOM 1136 CA PHE A 73 33.244 -8.348 -2.245 1.00 0.00 C ATOM 1137 C PHE A 73 31.835 -8.106 -1.678 1.00 0.00 C ATOM 1138 O PHE A 73 30.949 -7.667 -2.407 1.00 0.00 O ATOM 1139 CB PHE A 73 33.567 -9.850 -2.368 1.00 0.00 C ATOM 1140 CG PHE A 73 32.426 -10.697 -2.904 1.00 0.00 C ATOM 1141 CD1 PHE A 73 32.353 -10.994 -4.278 1.00 0.00 C ATOM 1142 CD2 PHE A 73 31.421 -11.169 -2.033 1.00 0.00 C ATOM 1143 CE1 PHE A 73 31.266 -11.725 -4.786 1.00 0.00 C ATOM 1144 CE2 PHE A 73 30.329 -11.889 -2.542 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.248 -12.155 -3.917 1.00 0.00 C ATOM 0 H PHE A 73 35.102 -8.304 -1.270 1.00 0.00 H new ATOM 0 HA PHE A 73 33.223 -7.896 -3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.431 -9.971 -3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.854 -10.229 -1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 73 33.135 -10.659 -4.944 1.00 0.00 H new ATOM 0 HD2 PHE A 73 31.492 -10.976 -0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 73 31.213 -11.956 -5.840 1.00 0.00 H new ATOM 0 HE2 PHE A 73 29.553 -12.237 -1.877 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.398 -12.693 -4.310 1.00 0.00 H new ATOM 1155 N GLU A 74 31.632 -8.308 -0.371 1.00 0.00 N ATOM 1156 CA GLU A 74 30.321 -8.113 0.273 1.00 0.00 C ATOM 1157 C GLU A 74 29.862 -6.648 0.202 1.00 0.00 C ATOM 1158 O GLU A 74 28.712 -6.351 -0.124 1.00 0.00 O ATOM 1159 CB GLU A 74 30.418 -8.569 1.735 1.00 0.00 C ATOM 1160 CG GLU A 74 29.038 -8.851 2.335 1.00 0.00 C ATOM 1161 CD GLU A 74 29.161 -9.291 3.806 1.00 0.00 C ATOM 1162 OE1 GLU A 74 29.100 -10.513 4.088 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.316 -8.417 4.695 1.00 0.00 O ATOM 0 H GLU A 74 32.366 -8.610 0.270 1.00 0.00 H new ATOM 0 HA GLU A 74 29.579 -8.707 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 74 31.031 -9.468 1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 74 30.920 -7.801 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.418 -7.957 2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.538 -9.629 1.758 1.00 0.00 H new ATOM 1170 N LYS A 75 30.799 -5.725 0.438 1.00 0.00 N ATOM 1171 CA LYS A 75 30.578 -4.275 0.391 1.00 0.00 C ATOM 1172 C LYS A 75 30.241 -3.829 -1.033 1.00 0.00 C ATOM 1173 O LYS A 75 29.247 -3.143 -1.245 1.00 0.00 O ATOM 1174 CB LYS A 75 31.797 -3.519 0.972 1.00 0.00 C ATOM 1175 CG LYS A 75 32.055 -3.858 2.451 1.00 0.00 C ATOM 1176 CD LYS A 75 33.122 -4.952 2.641 1.00 0.00 C ATOM 1177 CE LYS A 75 32.972 -5.680 3.984 1.00 0.00 C ATOM 1178 NZ LYS A 75 33.283 -4.809 5.156 1.00 0.00 N ATOM 0 H LYS A 75 31.760 -5.972 0.674 1.00 0.00 H new ATOM 0 HA LYS A 75 29.720 -4.027 1.016 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.684 -3.764 0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.635 -2.446 0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 75 32.371 -2.956 2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 75 31.122 -4.184 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 75 33.049 -5.674 1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 75 34.114 -4.504 2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 75 31.952 -6.054 4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 75 33.632 -6.547 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 33.165 -5.353 6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 34.264 -4.472 5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 32.637 -3.994 5.164 1.00 0.00 H new ATOM 1192 N THR A 76 30.990 -4.317 -2.019 1.00 0.00 N ATOM 1193 CA THR A 76 30.767 -4.094 -3.456 1.00 0.00 C ATOM 1194 C THR A 76 29.424 -4.663 -3.928 1.00 0.00 C ATOM 1195 O THR A 76 28.720 -3.984 -4.673 1.00 0.00 O ATOM 1196 CB THR A 76 31.958 -4.659 -4.253 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.086 -3.862 -3.974 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.746 -4.628 -5.770 1.00 0.00 C ATOM 0 H THR A 76 31.804 -4.904 -1.837 1.00 0.00 H new ATOM 0 HA THR A 76 30.708 -3.021 -3.639 1.00 0.00 H new ATOM 0 HB THR A 76 32.079 -5.700 -3.953 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.809 -4.427 -3.630 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.623 -5.040 -6.268 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.869 -5.223 -6.027 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.594 -3.599 -6.095 1.00 0.00 H new ATOM 1206 N VAL A 77 28.997 -5.835 -3.441 1.00 0.00 N ATOM 1207 CA VAL A 77 27.650 -6.384 -3.705 1.00 0.00 C ATOM 1208 C VAL A 77 26.575 -5.446 -3.158 1.00 0.00 C ATOM 1209 O VAL A 77 25.717 -5.013 -3.920 1.00 0.00 O ATOM 1210 CB VAL A 77 27.480 -7.810 -3.136 1.00 0.00 C ATOM 1211 CG1 VAL A 77 26.016 -8.269 -3.117 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.252 -8.832 -3.978 1.00 0.00 C ATOM 0 H VAL A 77 29.573 -6.435 -2.851 1.00 0.00 H new ATOM 0 HA VAL A 77 27.533 -6.458 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 77 27.863 -7.762 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 77 25.956 -9.277 -2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.430 -7.590 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.620 -8.266 -4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.116 -9.828 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.878 -8.817 -5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.312 -8.579 -3.976 1.00 0.00 H new ATOM 1222 N VAL A 78 26.633 -5.080 -1.871 1.00 0.00 N ATOM 1223 CA VAL A 78 25.616 -4.219 -1.232 1.00 0.00 C ATOM 1224 C VAL A 78 25.568 -2.837 -1.891 1.00 0.00 C ATOM 1225 O VAL A 78 24.491 -2.297 -2.141 1.00 0.00 O ATOM 1226 CB VAL A 78 25.869 -4.110 0.286 1.00 0.00 C ATOM 1227 CG1 VAL A 78 24.953 -3.093 0.979 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.622 -5.466 0.958 1.00 0.00 C ATOM 0 H VAL A 78 27.381 -5.369 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 78 24.640 -4.683 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 78 26.903 -3.782 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.182 -3.064 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.113 -2.105 0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.912 -3.386 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.803 -5.379 2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.590 -5.774 0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.297 -6.210 0.535 1.00 0.00 H new ATOM 1238 N ALA A 79 26.726 -2.292 -2.258 1.00 0.00 N ATOM 1239 CA ALA A 79 26.835 -0.993 -2.908 1.00 0.00 C ATOM 1240 C ALA A 79 26.302 -1.018 -4.348 1.00 0.00 C ATOM 1241 O ALA A 79 25.746 -0.025 -4.816 1.00 0.00 O ATOM 1242 CB ALA A 79 28.307 -0.581 -2.844 1.00 0.00 C ATOM 0 H ALA A 79 27.626 -2.749 -2.109 1.00 0.00 H new ATOM 0 HA ALA A 79 26.215 -0.260 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.434 0.391 -3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.622 -0.517 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.915 -1.322 -3.362 1.00 0.00 H new ATOM 1248 N ALA A 80 26.424 -2.136 -5.068 1.00 0.00 N ATOM 1249 CA ALA A 80 25.858 -2.279 -6.410 1.00 0.00 C ATOM 1250 C ALA A 80 24.322 -2.238 -6.401 1.00 0.00 C ATOM 1251 O ALA A 80 23.731 -1.779 -7.372 1.00 0.00 O ATOM 1252 CB ALA A 80 26.372 -3.586 -7.022 1.00 0.00 C ATOM 0 H ALA A 80 26.917 -2.965 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 80 26.180 -1.433 -7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.958 -3.706 -8.023 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.460 -3.557 -7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.064 -4.425 -6.399 1.00 0.00 H new ATOM 1258 N LEU A 81 23.671 -2.631 -5.299 1.00 0.00 N ATOM 1259 CA LEU A 81 22.204 -2.581 -5.169 1.00 0.00 C ATOM 1260 C LEU A 81 21.715 -1.123 -5.260 1.00 0.00 C ATOM 1261 O LEU A 81 20.835 -0.793 -6.053 1.00 0.00 O ATOM 1262 CB LEU A 81 21.747 -3.201 -3.829 1.00 0.00 C ATOM 1263 CG LEU A 81 22.324 -4.576 -3.453 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.928 -4.937 -2.026 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.867 -5.705 -4.369 1.00 0.00 C ATOM 0 H LEU A 81 24.144 -2.993 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 81 21.771 -3.160 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.997 -2.501 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.661 -3.286 -3.850 1.00 0.00 H new ATOM 0 HG LEU A 81 23.405 -4.479 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.341 -5.912 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.318 -4.186 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.841 -4.972 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.315 -6.643 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.781 -5.788 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.178 -5.492 -5.392 1.00 0.00 H new ATOM 1277 N ILE A 82 22.364 -0.238 -4.494 1.00 0.00 N ATOM 1278 CA ILE A 82 22.071 1.204 -4.454 1.00 0.00 C ATOM 1279 C ILE A 82 22.465 1.857 -5.785 1.00 0.00 C ATOM 1280 O ILE A 82 21.672 2.572 -6.392 1.00 0.00 O ATOM 1281 CB ILE A 82 22.777 1.867 -3.244 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.340 1.205 -1.912 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.481 3.380 -3.213 1.00 0.00 C ATOM 1284 CD1 ILE A 82 23.116 1.687 -0.679 1.00 0.00 C ATOM 0 H ILE A 82 23.125 -0.508 -3.870 1.00 0.00 H new ATOM 0 HA ILE A 82 21.000 1.352 -4.320 1.00 0.00 H new ATOM 0 HB ILE A 82 23.851 1.721 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.279 1.397 -1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.458 0.125 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 82 22.984 3.832 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.844 3.841 -4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.406 3.539 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.746 1.173 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 82 24.176 1.470 -0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.978 2.762 -0.559 1.00 0.00 H new ATOM 1296 N GLN A 83 23.665 1.569 -6.296 1.00 0.00 N ATOM 1297 CA GLN A 83 24.174 2.188 -7.530 1.00 0.00 C ATOM 1298 C GLN A 83 23.390 1.760 -8.783 1.00 0.00 C ATOM 1299 O GLN A 83 23.295 2.526 -9.742 1.00 0.00 O ATOM 1300 CB GLN A 83 25.672 1.879 -7.672 1.00 0.00 C ATOM 1301 CG GLN A 83 26.487 2.613 -6.595 1.00 0.00 C ATOM 1302 CD GLN A 83 27.948 2.179 -6.570 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.226 0.992 -6.070 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.854 2.895 -6.975 1.00 0.00 N flip ATOM 0 H GLN A 83 24.311 0.904 -5.871 1.00 0.00 H new ATOM 0 HA GLN A 83 24.031 3.265 -7.449 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.835 0.805 -7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 83 26.017 2.178 -8.662 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.434 3.687 -6.773 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.040 2.429 -5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.643 3.814 -7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.820 2.572 -6.925 1.00 0.00 H new ATOM 1313 N THR A 84 22.760 0.580 -8.754 1.00 0.00 N ATOM 1314 CA THR A 84 21.815 0.136 -9.790 1.00 0.00 C ATOM 1315 C THR A 84 20.572 1.025 -9.818 1.00 0.00 C ATOM 1316 O THR A 84 20.190 1.499 -10.885 1.00 0.00 O ATOM 1317 CB THR A 84 21.418 -1.331 -9.575 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.551 -2.146 -9.753 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.398 -1.844 -10.576 1.00 0.00 C ATOM 0 H THR A 84 22.891 -0.100 -8.006 1.00 0.00 H new ATOM 0 HA THR A 84 22.316 0.220 -10.754 1.00 0.00 H new ATOM 0 HB THR A 84 20.993 -1.373 -8.572 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.202 -1.961 -9.044 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.168 -2.887 -10.359 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.487 -1.249 -10.505 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.805 -1.764 -11.584 1.00 0.00 H new ATOM 1327 N GLU A 85 19.946 1.315 -8.670 1.00 0.00 N ATOM 1328 CA GLU A 85 18.764 2.186 -8.669 1.00 0.00 C ATOM 1329 C GLU A 85 19.127 3.660 -8.876 1.00 0.00 C ATOM 1330 O GLU A 85 18.345 4.395 -9.468 1.00 0.00 O ATOM 1331 CB GLU A 85 17.879 1.976 -7.431 1.00 0.00 C ATOM 1332 CG GLU A 85 18.480 2.428 -6.096 1.00 0.00 C ATOM 1333 CD GLU A 85 17.376 2.668 -5.047 1.00 0.00 C ATOM 1334 OE1 GLU A 85 16.696 3.722 -5.121 1.00 0.00 O ATOM 1335 OE2 GLU A 85 17.196 1.820 -4.139 1.00 0.00 O ATOM 0 H GLU A 85 20.229 0.970 -7.753 1.00 0.00 H new ATOM 0 HA GLU A 85 18.166 1.888 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.941 2.509 -7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.635 0.916 -7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.175 1.672 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.053 3.344 -6.242 1.00 0.00 H new ATOM 1342 N GLU A 86 20.305 4.125 -8.457 1.00 0.00 N ATOM 1343 CA GLU A 86 20.731 5.527 -8.625 1.00 0.00 C ATOM 1344 C GLU A 86 20.817 5.963 -10.096 1.00 0.00 C ATOM 1345 O GLU A 86 20.518 7.114 -10.412 1.00 0.00 O ATOM 1346 CB GLU A 86 22.068 5.758 -7.909 1.00 0.00 C ATOM 1347 CG GLU A 86 21.875 5.842 -6.392 1.00 0.00 C ATOM 1348 CD GLU A 86 21.486 7.268 -5.951 1.00 0.00 C ATOM 1349 OE1 GLU A 86 22.373 8.027 -5.489 1.00 0.00 O ATOM 1350 OE2 GLU A 86 20.294 7.642 -6.071 1.00 0.00 O ATOM 0 H GLU A 86 20.998 3.542 -7.988 1.00 0.00 H new ATOM 0 HA GLU A 86 19.961 6.150 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.756 4.947 -8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.524 6.679 -8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.100 5.140 -6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.795 5.543 -5.890 1.00 0.00 H new ATOM 1357 N ALA A 87 21.114 5.031 -11.010 1.00 0.00 N ATOM 1358 CA ALA A 87 21.016 5.263 -12.453 1.00 0.00 C ATOM 1359 C ALA A 87 19.569 5.525 -12.899 1.00 0.00 C ATOM 1360 O ALA A 87 19.303 6.418 -13.696 1.00 0.00 O ATOM 1361 CB ALA A 87 21.571 4.028 -13.170 1.00 0.00 C ATOM 0 H ALA A 87 21.430 4.092 -10.767 1.00 0.00 H new ATOM 0 HA ALA A 87 21.591 6.153 -12.707 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.510 4.175 -14.248 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.612 3.878 -12.883 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.987 3.151 -12.889 1.00 0.00 H new ATOM 1367 N LEU A 88 18.614 4.752 -12.365 1.00 0.00 N ATOM 1368 CA LEU A 88 17.197 4.780 -12.751 1.00 0.00 C ATOM 1369 C LEU A 88 16.420 5.879 -12.018 1.00 0.00 C ATOM 1370 O LEU A 88 15.407 6.369 -12.516 1.00 0.00 O ATOM 1371 CB LEU A 88 16.589 3.386 -12.500 1.00 0.00 C ATOM 1372 CG LEU A 88 17.347 2.193 -13.113 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.579 0.924 -12.813 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.505 2.315 -14.624 1.00 0.00 C ATOM 0 H LEU A 88 18.812 4.071 -11.632 1.00 0.00 H new ATOM 0 HA LEU A 88 17.123 5.022 -13.811 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.520 3.231 -11.423 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.571 3.381 -12.889 1.00 0.00 H new ATOM 0 HG LEU A 88 18.344 2.175 -12.673 1.00 0.00 H new ATOM 0 HD11 LEU A 88 17.105 0.071 -13.242 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.497 0.795 -11.734 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.582 0.991 -13.247 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.046 1.448 -15.004 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.521 2.362 -15.090 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.061 3.222 -14.860 1.00 0.00 H new ATOM 1386 N ASN A 89 16.936 6.336 -10.878 1.00 0.00 N ATOM 1387 CA ASN A 89 16.364 7.394 -10.043 1.00 0.00 C ATOM 1388 C ASN A 89 16.280 8.740 -10.773 1.00 0.00 C ATOM 1389 O ASN A 89 15.332 9.493 -10.565 1.00 0.00 O ATOM 1390 CB ASN A 89 17.169 7.474 -8.728 1.00 0.00 C ATOM 1391 CG ASN A 89 16.513 6.733 -7.580 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.552 7.183 -6.976 1.00 0.00 O ATOM 1393 ND2 ASN A 89 17.027 5.580 -7.258 1.00 0.00 N ATOM 0 H ASN A 89 17.804 5.963 -10.493 1.00 0.00 H new ATOM 0 HA ASN A 89 15.329 7.144 -9.808 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.165 7.064 -8.894 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.297 8.520 -8.451 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.627 5.039 -6.491 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.830 5.218 -7.773 1.00 0.00 H new ATOM 1400 N ARG A 90 17.195 8.998 -11.717 1.00 0.00 N ATOM 1401 CA ARG A 90 17.188 10.189 -12.592 1.00 0.00 C ATOM 1402 C ARG A 90 16.527 9.959 -13.963 1.00 0.00 C ATOM 1403 O ARG A 90 16.223 10.923 -14.660 1.00 0.00 O ATOM 1404 CB ARG A 90 18.642 10.670 -12.759 1.00 0.00 C ATOM 1405 CG ARG A 90 19.349 11.092 -11.456 1.00 0.00 C ATOM 1406 CD ARG A 90 18.676 12.246 -10.699 1.00 0.00 C ATOM 1407 NE ARG A 90 18.624 13.484 -11.506 1.00 0.00 N ATOM 1408 CZ ARG A 90 18.057 14.630 -11.168 1.00 0.00 C ATOM 1409 NH1 ARG A 90 17.450 14.793 -10.026 1.00 0.00 N ATOM 1410 NH2 ARG A 90 18.091 15.645 -11.982 1.00 0.00 N ATOM 0 H ARG A 90 17.980 8.374 -11.902 1.00 0.00 H new ATOM 0 HA ARG A 90 16.574 10.950 -12.110 1.00 0.00 H new ATOM 0 HB2 ARG A 90 19.220 9.872 -13.225 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.651 11.514 -13.448 1.00 0.00 H new ATOM 0 HG2 ARG A 90 19.406 10.228 -10.795 1.00 0.00 H new ATOM 0 HG3 ARG A 90 20.373 11.381 -11.693 1.00 0.00 H new ATOM 0 HD2 ARG A 90 17.664 11.954 -10.418 1.00 0.00 H new ATOM 0 HD3 ARG A 90 19.220 12.439 -9.774 1.00 0.00 H new ATOM 0 HE ARG A 90 19.073 13.451 -12.421 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.401 14.022 -9.360 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.024 15.691 -9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.556 15.559 -12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 90 17.652 16.527 -11.716 1.00 0.00 H new ATOM 1424 N ARG A 91 16.240 8.698 -14.318 1.00 0.00 N ATOM 1425 CA ARG A 91 15.552 8.309 -15.572 1.00 0.00 C ATOM 1426 C ARG A 91 14.033 8.345 -15.415 1.00 0.00 C ATOM 1427 O ARG A 91 13.336 8.950 -16.224 1.00 0.00 O ATOM 1428 CB ARG A 91 15.994 6.899 -16.003 1.00 0.00 C ATOM 1429 CG ARG A 91 17.460 6.818 -16.449 1.00 0.00 C ATOM 1430 CD ARG A 91 17.897 5.347 -16.589 1.00 0.00 C ATOM 1431 NE ARG A 91 18.351 5.041 -17.963 1.00 0.00 N ATOM 1432 CZ ARG A 91 17.679 4.480 -18.956 1.00 0.00 C ATOM 1433 NH1 ARG A 91 16.443 4.083 -18.836 1.00 0.00 N ATOM 1434 NH2 ARG A 91 18.251 4.308 -20.111 1.00 0.00 N ATOM 0 H ARG A 91 16.482 7.898 -13.733 1.00 0.00 H new ATOM 0 HA ARG A 91 15.831 9.032 -16.339 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.838 6.210 -15.173 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.356 6.563 -16.820 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.586 7.334 -17.401 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.096 7.326 -15.724 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.702 5.138 -15.884 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.065 4.693 -16.326 1.00 0.00 H new ATOM 0 HE ARG A 91 19.315 5.298 -18.175 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.954 4.200 -17.949 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.965 3.656 -19.629 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.217 4.605 -20.251 1.00 0.00 H new ATOM 0 HH22 ARG A 91 17.734 3.876 -20.877 1.00 0.00 H new ATOM 1448 N GLN A 92 13.543 7.687 -14.358 1.00 0.00 N ATOM 1449 CA GLN A 92 12.105 7.442 -14.153 1.00 0.00 C ATOM 1450 C GLN A 92 11.597 7.495 -12.713 1.00 0.00 C ATOM 1451 O GLN A 92 10.511 8.017 -12.490 1.00 0.00 O ATOM 1452 CB GLN A 92 11.721 6.097 -14.794 1.00 0.00 C ATOM 1453 CG GLN A 92 12.620 4.896 -14.428 1.00 0.00 C ATOM 1454 CD GLN A 92 12.045 3.582 -14.957 1.00 0.00 C ATOM 1455 OE1 GLN A 92 12.499 3.029 -15.947 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.020 3.043 -14.327 1.00 0.00 N ATOM 0 H GLN A 92 14.132 7.307 -13.617 1.00 0.00 H new ATOM 0 HA GLN A 92 11.612 8.285 -14.637 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.696 5.860 -14.508 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.730 6.217 -15.877 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.618 5.049 -14.839 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.727 4.837 -13.345 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.634 3.497 -13.499 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.613 2.172 -14.667 1.00 0.00 H new ATOM 1465 N ILE A 93 12.347 6.997 -11.718 1.00 0.00 N ATOM 1466 CA ILE A 93 11.791 6.814 -10.351 1.00 0.00 C ATOM 1467 C ILE A 93 11.451 8.167 -9.696 1.00 0.00 C ATOM 1468 O ILE A 93 10.565 8.235 -8.850 1.00 0.00 O ATOM 1469 CB ILE A 93 12.672 5.904 -9.449 1.00 0.00 C ATOM 1470 CG1 ILE A 93 13.194 4.660 -10.214 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.870 5.457 -8.214 1.00 0.00 C ATOM 1472 CD1 ILE A 93 14.054 3.681 -9.399 1.00 0.00 C ATOM 0 H ILE A 93 13.322 6.716 -11.821 1.00 0.00 H new ATOM 0 HA ILE A 93 10.852 6.272 -10.463 1.00 0.00 H new ATOM 0 HB ILE A 93 13.537 6.489 -9.137 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.337 4.116 -10.611 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.778 5.002 -11.068 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.493 4.820 -7.587 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.559 6.333 -7.645 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.989 4.901 -8.534 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.362 2.851 -10.035 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.937 4.198 -9.024 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.473 3.298 -8.560 1.00 0.00 H new ATOM 1484 N ASN A 94 12.036 9.270 -10.183 1.00 0.00 N ATOM 1485 CA ASN A 94 11.634 10.644 -9.823 1.00 0.00 C ATOM 1486 C ASN A 94 10.119 10.885 -9.954 1.00 0.00 C ATOM 1487 O ASN A 94 9.524 11.497 -9.074 1.00 0.00 O ATOM 1488 CB ASN A 94 12.442 11.703 -10.585 1.00 0.00 C ATOM 1489 CG ASN A 94 12.573 11.423 -12.058 1.00 0.00 C ATOM 1490 OD1 ASN A 94 11.737 11.764 -12.877 1.00 0.00 O ATOM 1491 ND2 ASN A 94 13.617 10.714 -12.407 1.00 0.00 N ATOM 0 H ASN A 94 12.811 9.237 -10.846 1.00 0.00 H new ATOM 0 HA ASN A 94 11.871 10.752 -8.765 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.968 12.675 -10.450 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.438 11.771 -10.148 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.743 10.436 -13.380 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.305 10.439 -11.705 1.00 0.00 H new ATOM 1498 N GLN A 95 9.478 10.327 -10.984 1.00 0.00 N ATOM 1499 CA GLN A 95 8.031 10.445 -11.223 1.00 0.00 C ATOM 1500 C GLN A 95 7.193 9.818 -10.090 1.00 0.00 C ATOM 1501 O GLN A 95 6.119 10.325 -9.762 1.00 0.00 O ATOM 1502 CB GLN A 95 7.677 9.778 -12.566 1.00 0.00 C ATOM 1503 CG GLN A 95 8.426 10.392 -13.764 1.00 0.00 C ATOM 1504 CD GLN A 95 8.150 9.679 -15.089 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.178 8.957 -15.276 1.00 0.00 O ATOM 1506 NE2 GLN A 95 9.003 9.866 -16.074 1.00 0.00 N ATOM 0 H GLN A 95 9.957 9.769 -11.691 1.00 0.00 H new ATOM 0 HA GLN A 95 7.788 11.507 -11.252 1.00 0.00 H new ATOM 0 HB2 GLN A 95 7.908 8.714 -12.508 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.603 9.863 -12.735 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.144 11.441 -13.860 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.497 10.367 -13.564 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.818 10.464 -15.936 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.849 9.413 -16.975 1.00 0.00 H new ATOM 1515 N ALA A 96 7.696 8.744 -9.467 1.00 0.00 N ATOM 1516 CA ALA A 96 7.051 8.061 -8.344 1.00 0.00 C ATOM 1517 C ALA A 96 7.382 8.720 -6.990 1.00 0.00 C ATOM 1518 O ALA A 96 6.473 9.013 -6.211 1.00 0.00 O ATOM 1519 CB ALA A 96 7.458 6.582 -8.381 1.00 0.00 C ATOM 0 H ALA A 96 8.583 8.318 -9.738 1.00 0.00 H new ATOM 0 HA ALA A 96 5.969 8.143 -8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.987 6.054 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.135 6.139 -9.323 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.542 6.501 -8.295 1.00 0.00 H new ATOM 1525 N LEU A 97 8.665 9.011 -6.721 1.00 0.00 N ATOM 1526 CA LEU A 97 9.114 9.580 -5.433 1.00 0.00 C ATOM 1527 C LEU A 97 8.656 11.033 -5.193 1.00 0.00 C ATOM 1528 O LEU A 97 8.538 11.471 -4.047 1.00 0.00 O ATOM 1529 CB LEU A 97 10.637 9.396 -5.286 1.00 0.00 C ATOM 1530 CG LEU A 97 11.526 10.103 -6.327 1.00 0.00 C ATOM 1531 CD1 LEU A 97 11.887 11.539 -5.939 1.00 0.00 C ATOM 1532 CD2 LEU A 97 12.838 9.342 -6.522 1.00 0.00 C ATOM 0 H LEU A 97 9.422 8.860 -7.387 1.00 0.00 H new ATOM 0 HA LEU A 97 8.619 9.020 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.928 9.748 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.855 8.329 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 97 10.935 10.124 -7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.514 11.979 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.976 12.127 -5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 97 12.429 11.535 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 97 13.451 9.858 -7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 97 13.375 9.294 -5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.624 8.331 -6.870 1.00 0.00 H new ATOM 1544 N LEU A 98 8.361 11.761 -6.273 1.00 0.00 N ATOM 1545 CA LEU A 98 7.771 13.109 -6.263 1.00 0.00 C ATOM 1546 C LEU A 98 6.285 13.133 -5.830 1.00 0.00 C ATOM 1547 O LEU A 98 5.757 14.202 -5.520 1.00 0.00 O ATOM 1548 CB LEU A 98 7.976 13.705 -7.673 1.00 0.00 C ATOM 1549 CG LEU A 98 7.448 15.129 -7.925 1.00 0.00 C ATOM 1550 CD1 LEU A 98 8.087 16.168 -7.004 1.00 0.00 C ATOM 1551 CD2 LEU A 98 7.738 15.523 -9.372 1.00 0.00 C ATOM 0 H LEU A 98 8.532 11.417 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 98 8.273 13.715 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.044 13.699 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.502 13.038 -8.393 1.00 0.00 H new ATOM 0 HG LEU A 98 6.377 15.115 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.677 17.153 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.875 15.913 -5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.165 16.180 -7.162 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.366 16.531 -9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.813 15.495 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.242 14.824 -10.046 1.00 0.00 H new ATOM 1563 N SER A 99 5.596 11.984 -5.816 1.00 0.00 N ATOM 1564 CA SER A 99 4.177 11.850 -5.427 1.00 0.00 C ATOM 1565 C SER A 99 3.231 12.829 -6.150 1.00 0.00 C ATOM 1566 O SER A 99 2.364 13.459 -5.537 1.00 0.00 O ATOM 1567 CB SER A 99 4.017 11.888 -3.896 1.00 0.00 C ATOM 1568 OG SER A 99 4.795 10.867 -3.278 1.00 0.00 O ATOM 0 H SER A 99 6.018 11.094 -6.082 1.00 0.00 H new ATOM 0 HA SER A 99 3.859 10.866 -5.771 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.324 12.863 -3.518 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.967 11.760 -3.633 1.00 0.00 H new ATOM 0 HG SER A 99 4.680 10.911 -2.306 1.00 0.00 H new ATOM 1574 N THR A 100 3.415 12.980 -7.470 1.00 0.00 N ATOM 1575 CA THR A 100 2.605 13.847 -8.355 1.00 0.00 C ATOM 1576 C THR A 100 2.592 15.329 -7.922 1.00 0.00 C ATOM 1577 O THR A 100 1.591 16.037 -8.054 1.00 0.00 O ATOM 1578 CB THR A 100 1.196 13.255 -8.603 1.00 0.00 C ATOM 1579 OG1 THR A 100 1.249 11.838 -8.685 1.00 0.00 O ATOM 1580 CG2 THR A 100 0.573 13.716 -9.926 1.00 0.00 C ATOM 0 H THR A 100 4.154 12.488 -7.972 1.00 0.00 H new ATOM 0 HA THR A 100 3.105 13.858 -9.323 1.00 0.00 H new ATOM 0 HB THR A 100 0.597 13.603 -7.761 1.00 0.00 H new ATOM 0 HG1 THR A 100 0.348 11.485 -8.840 1.00 0.00 H new ATOM 0 HG21 THR A 100 -0.413 13.266 -10.040 1.00 0.00 H new ATOM 0 HG22 THR A 100 0.479 14.802 -9.925 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.210 13.408 -10.755 1.00 0.00 H new ATOM 1588 N GLY A 101 3.726 15.823 -7.403 1.00 0.00 N ATOM 1589 CA GLY A 101 3.956 17.246 -7.097 1.00 0.00 C ATOM 1590 C GLY A 101 4.030 18.169 -8.330 1.00 0.00 C ATOM 1591 O GLY A 101 3.908 19.388 -8.198 1.00 0.00 O ATOM 0 H GLY A 101 4.527 15.233 -7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 101 3.156 17.597 -6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.886 17.337 -6.536 1.00 0.00 H new ATOM 1595 N ASP A 102 4.183 17.591 -9.526 1.00 0.00 N ATOM 1596 CA ASP A 102 4.087 18.248 -10.839 1.00 0.00 C ATOM 1597 C ASP A 102 3.185 17.444 -11.799 1.00 0.00 C ATOM 1598 O ASP A 102 2.836 16.289 -11.528 1.00 0.00 O ATOM 1599 CB ASP A 102 5.488 18.425 -11.446 1.00 0.00 C ATOM 1600 CG ASP A 102 6.267 19.571 -10.777 1.00 0.00 C ATOM 1601 OD1 ASP A 102 5.947 20.754 -11.053 1.00 0.00 O ATOM 1602 OD2 ASP A 102 7.222 19.304 -10.007 1.00 0.00 O ATOM 0 H ASP A 102 4.389 16.596 -9.611 1.00 0.00 H new ATOM 0 HA ASP A 102 3.635 19.230 -10.696 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.048 17.496 -11.341 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.398 18.623 -12.514 1.00 0.00 H new ATOM 1607 N LEU A 103 2.813 18.053 -12.934 1.00 0.00 N ATOM 1608 CA LEU A 103 1.992 17.415 -13.970 1.00 0.00 C ATOM 1609 C LEU A 103 2.663 16.174 -14.596 1.00 0.00 C ATOM 1610 O LEU A 103 3.890 16.058 -14.647 1.00 0.00 O ATOM 1611 CB LEU A 103 1.548 18.452 -15.028 1.00 0.00 C ATOM 1612 CG LEU A 103 2.477 18.641 -16.247 1.00 0.00 C ATOM 1613 CD1 LEU A 103 1.820 19.587 -17.252 1.00 0.00 C ATOM 1614 CD2 LEU A 103 3.835 19.229 -15.866 1.00 0.00 C ATOM 0 H LEU A 103 3.077 19.012 -13.160 1.00 0.00 H new ATOM 0 HA LEU A 103 1.095 17.033 -13.483 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.562 18.165 -15.393 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.436 19.417 -14.533 1.00 0.00 H new ATOM 0 HG LEU A 103 2.637 17.651 -16.675 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.478 19.719 -18.111 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.871 19.165 -17.583 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.642 20.553 -16.780 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.447 19.340 -16.761 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.692 20.204 -15.401 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.336 18.562 -15.164 1.00 0.00 H new ATOM 1626 N ALA A 104 1.835 15.263 -15.113 1.00 0.00 N ATOM 1627 CA ALA A 104 2.273 14.018 -15.761 1.00 0.00 C ATOM 1628 C ALA A 104 1.258 13.475 -16.798 1.00 0.00 C ATOM 1629 O ALA A 104 1.215 12.278 -17.088 1.00 0.00 O ATOM 1630 CB ALA A 104 2.601 12.998 -14.656 1.00 0.00 C ATOM 0 H ALA A 104 0.821 15.369 -15.094 1.00 0.00 H new ATOM 0 HA ALA A 104 3.167 14.219 -16.352 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.929 12.063 -15.110 1.00 0.00 H new ATOM 0 HB2 ALA A 104 3.395 13.392 -14.021 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.711 12.816 -14.053 1.00 0.00 H new ATOM 1636 N HIS A 105 0.407 14.357 -17.333 1.00 0.00 N ATOM 1637 CA HIS A 105 -0.863 13.998 -17.987 1.00 0.00 C ATOM 1638 C HIS A 105 -0.699 13.409 -19.398 1.00 0.00 C ATOM 1639 O HIS A 105 -1.487 12.551 -19.800 1.00 0.00 O ATOM 1640 CB HIS A 105 -1.768 15.241 -18.017 1.00 0.00 C ATOM 1641 CG HIS A 105 -2.154 15.768 -16.651 1.00 0.00 C ATOM 1642 ND1 HIS A 105 -1.270 16.167 -15.639 1.00 0.00 N ATOM 1643 CD2 HIS A 105 -3.432 15.958 -16.214 1.00 0.00 C ATOM 1644 CE1 HIS A 105 -2.041 16.585 -14.619 1.00 0.00 C ATOM 1645 NE2 HIS A 105 -3.342 16.469 -14.938 1.00 0.00 N ATOM 0 H HIS A 105 0.582 15.362 -17.325 1.00 0.00 H new ATOM 0 HA HIS A 105 -1.317 13.200 -17.399 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -1.259 16.032 -18.568 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -2.676 15.001 -18.570 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.339 15.748 -16.762 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -1.668 16.960 -13.678 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -4.128 16.717 -14.337 1.00 0.00 H new ATOM 1653 N ASP A 106 0.325 13.848 -20.139 1.00 0.00 N ATOM 1654 CA ASP A 106 0.654 13.365 -21.493 1.00 0.00 C ATOM 1655 C ASP A 106 2.180 13.231 -21.717 1.00 0.00 C ATOM 1656 O ASP A 106 2.682 13.315 -22.841 1.00 0.00 O ATOM 1657 CB ASP A 106 -0.034 14.279 -22.525 1.00 0.00 C ATOM 1658 CG ASP A 106 -0.029 13.701 -23.954 1.00 0.00 C ATOM 1659 OD1 ASP A 106 -0.377 12.508 -24.138 1.00 0.00 O ATOM 1660 OD2 ASP A 106 0.261 14.458 -24.914 1.00 0.00 O ATOM 0 H ASP A 106 0.967 14.568 -19.808 1.00 0.00 H new ATOM 0 HA ASP A 106 0.270 12.353 -21.619 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -1.064 14.453 -22.215 1.00 0.00 H new ATOM 0 HB3 ASP A 106 0.465 15.248 -22.531 1.00 0.00 H new ATOM 1665 N GLU A 107 2.942 13.053 -20.631 1.00 0.00 N ATOM 1666 CA GLU A 107 4.414 13.070 -20.651 1.00 0.00 C ATOM 1667 C GLU A 107 5.031 11.721 -21.076 1.00 0.00 C ATOM 1668 O GLU A 107 6.049 11.703 -21.777 1.00 0.00 O ATOM 1669 CB GLU A 107 4.945 13.483 -19.268 1.00 0.00 C ATOM 1670 CG GLU A 107 4.506 14.883 -18.809 1.00 0.00 C ATOM 1671 CD GLU A 107 4.948 15.991 -19.787 1.00 0.00 C ATOM 1672 OE1 GLU A 107 4.075 16.659 -20.393 1.00 0.00 O ATOM 1673 OE2 GLU A 107 6.174 16.214 -19.947 1.00 0.00 O ATOM 0 H GLU A 107 2.552 12.891 -19.703 1.00 0.00 H new ATOM 0 HA GLU A 107 4.715 13.799 -21.404 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.612 12.752 -18.532 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.034 13.445 -19.285 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.421 14.905 -18.707 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.923 15.086 -17.823 1.00 0.00 H new ATOM 1680 N PHE A 108 4.407 10.605 -20.668 1.00 0.00 N ATOM 1681 CA PHE A 108 4.832 9.215 -20.909 1.00 0.00 C ATOM 1682 C PHE A 108 3.626 8.294 -21.184 1.00 0.00 C ATOM 1683 O PHE A 108 3.675 7.528 -22.175 1.00 0.00 O ATOM 1684 CB PHE A 108 5.659 8.698 -19.716 1.00 0.00 C ATOM 1685 CG PHE A 108 7.079 9.234 -19.646 1.00 0.00 C ATOM 1686 CD1 PHE A 108 8.134 8.513 -20.240 1.00 0.00 C ATOM 1687 CD2 PHE A 108 7.353 10.456 -19.000 1.00 0.00 C ATOM 1688 CE1 PHE A 108 9.449 9.011 -20.195 1.00 0.00 C ATOM 1689 CE2 PHE A 108 8.664 10.967 -18.976 1.00 0.00 C ATOM 1690 CZ PHE A 108 9.714 10.241 -19.568 1.00 0.00 C ATOM 0 H PHE A 108 3.542 10.650 -20.130 1.00 0.00 H new ATOM 0 HA PHE A 108 5.459 9.202 -21.801 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.141 8.958 -18.793 1.00 0.00 H new ATOM 0 HB3 PHE A 108 5.698 7.610 -19.763 1.00 0.00 H new ATOM 0 HD1 PHE A 108 7.932 7.573 -20.732 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.554 11.003 -18.521 1.00 0.00 H new ATOM 0 HE1 PHE A 108 10.255 8.448 -20.642 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.864 11.917 -18.503 1.00 0.00 H new ATOM 0 HZ PHE A 108 10.722 10.628 -19.541 1.00 0.00 H new TER 1700 PHE A 108