USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 429 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 50 SER OG : rot 47:sc= 1.35 USER MOD Set 1.2: A 53 HIS : no HE2:sc= 0.123 K(o=1.5,f=-7.9!) USER MOD Set 2.1: A 32 GLN : amide:sc= -2.41 K(o=-2.5,f=-1.6) USER MOD Set 2.2: A 34 ASN : amide:sc= -0.111 K(o=-2.5,f=-1.6) USER MOD Set 3.1: A 13 ASN : amide:sc= 0.628 K(o=3.1,f=-8.2!) USER MOD Set 3.2: A 39 LYS NZ :NH3+ -176:sc= 2.44 (180deg=1.09) USER MOD Single : A 1 ALA N :NH3+ -120:sc= 0.155 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 23:sc= 0.645 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 49:sc= 1.25 USER MOD Single : A 15 MET CE :methyl -143:sc= -0.141 (180deg=-0.697) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -3.82! K(o=-3.8!,f=-0.91) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.513 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0224 K(o=-0.022,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= -1.85! K(o=-1.8!,f=-0.36) USER MOD Single : A 26 LYS NZ :NH3+ 129:sc= 1.3 (180deg=0.155) USER MOD Single : A 33 ASN : amide:sc= -0.765 X(o=-0.77,f=-0.65) USER MOD Single : A 37 MET CE :methyl -153:sc= -0.218 (180deg=-0.874) USER MOD Single : A 40 ASN : amide:sc= -0.0967 K(o=-0.097,f=-1.5!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0395 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.323 17.751 3.840 1.00 0.00 N ATOM 2 CA ALA A 1 -1.583 18.483 3.573 1.00 0.00 C ATOM 3 C ALA A 1 -2.143 18.084 2.216 1.00 0.00 C ATOM 4 O ALA A 1 -1.514 17.308 1.495 1.00 0.00 O ATOM 5 CB ALA A 1 -1.351 19.986 3.628 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.430 17.179 4.702 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.106 17.128 3.036 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.453 18.431 3.970 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.307 18.219 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.288 20.506 3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.985 20.262 4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.613 20.268 2.877 1.00 0.00 H new ATOM 13 N THR A 2 -3.312 18.633 1.877 1.00 0.00 N ATOM 14 CA THR A 2 -4.000 18.359 0.612 1.00 0.00 C ATOM 15 C THR A 2 -4.126 16.861 0.323 1.00 0.00 C ATOM 16 O THR A 2 -3.232 16.245 -0.264 1.00 0.00 O ATOM 17 CB THR A 2 -3.327 19.074 -0.588 1.00 0.00 C ATOM 18 OG1 THR A 2 -1.917 18.820 -0.609 1.00 0.00 O ATOM 19 CG2 THR A 2 -3.570 20.573 -0.531 1.00 0.00 C ATOM 0 H THR A 2 -3.813 19.287 2.479 1.00 0.00 H new ATOM 0 HA THR A 2 -5.005 18.763 0.734 1.00 0.00 H new ATOM 0 HB THR A 2 -3.773 18.676 -1.499 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.726 17.992 -0.121 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.088 21.052 -1.383 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.642 20.769 -0.562 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.155 20.974 0.394 1.00 0.00 H new ATOM 27 N ALA A 3 -5.245 16.285 0.746 1.00 0.00 N ATOM 28 CA ALA A 3 -5.525 14.880 0.494 1.00 0.00 C ATOM 29 C ALA A 3 -5.822 14.654 -0.982 1.00 0.00 C ATOM 30 O ALA A 3 -6.976 14.687 -1.414 1.00 0.00 O ATOM 31 CB ALA A 3 -6.683 14.407 1.354 1.00 0.00 C ATOM 0 H ALA A 3 -5.974 16.773 1.267 1.00 0.00 H new ATOM 0 HA ALA A 3 -4.643 14.297 0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.879 13.354 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.430 14.534 2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.572 14.993 1.121 1.00 0.00 H new ATOM 37 N SER A 4 -4.768 14.461 -1.747 1.00 0.00 N ATOM 38 CA SER A 4 -4.877 14.244 -3.173 1.00 0.00 C ATOM 39 C SER A 4 -5.532 12.896 -3.475 1.00 0.00 C ATOM 40 O SER A 4 -5.101 11.851 -2.972 1.00 0.00 O ATOM 41 CB SER A 4 -3.485 14.330 -3.787 1.00 0.00 C ATOM 42 OG SER A 4 -2.577 13.476 -3.112 1.00 0.00 O ATOM 0 H SER A 4 -3.810 14.450 -1.396 1.00 0.00 H new ATOM 0 HA SER A 4 -5.514 15.012 -3.611 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.531 14.057 -4.841 1.00 0.00 H new ATOM 0 HB3 SER A 4 -3.126 15.358 -3.740 1.00 0.00 H new ATOM 0 HG SER A 4 -1.691 13.548 -3.526 1.00 0.00 H new ATOM 48 N PRO A 5 -6.589 12.913 -4.300 1.00 0.00 N ATOM 49 CA PRO A 5 -7.362 11.716 -4.632 1.00 0.00 C ATOM 50 C PRO A 5 -6.589 10.729 -5.497 1.00 0.00 C ATOM 51 O PRO A 5 -6.807 9.528 -5.412 1.00 0.00 O ATOM 52 CB PRO A 5 -8.563 12.271 -5.405 1.00 0.00 C ATOM 53 CG PRO A 5 -8.081 13.556 -5.975 1.00 0.00 C ATOM 54 CD PRO A 5 -7.138 14.117 -4.954 1.00 0.00 C ATOM 0 HA PRO A 5 -7.629 11.153 -3.738 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.881 11.584 -6.189 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.420 12.425 -4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -7.578 13.398 -6.929 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.910 14.239 -6.161 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.354 14.716 -5.417 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -7.653 14.762 -4.242 1.00 0.00 H new ATOM 62 N GLN A 6 -5.667 11.237 -6.307 1.00 0.00 N ATOM 63 CA GLN A 6 -4.937 10.401 -7.260 1.00 0.00 C ATOM 64 C GLN A 6 -3.855 9.602 -6.557 1.00 0.00 C ATOM 65 O GLN A 6 -3.647 8.426 -6.839 1.00 0.00 O ATOM 66 CB GLN A 6 -4.307 11.254 -8.360 1.00 0.00 C ATOM 67 CG GLN A 6 -5.317 12.002 -9.206 1.00 0.00 C ATOM 68 CD GLN A 6 -4.668 12.800 -10.317 1.00 0.00 C ATOM 69 OE1 GLN A 6 -4.318 13.965 -10.140 1.00 0.00 O ATOM 70 NE2 GLN A 6 -4.489 12.177 -11.471 1.00 0.00 N ATOM 0 H GLN A 6 -5.406 12.223 -6.325 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.652 9.712 -7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -3.625 11.972 -7.905 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.709 10.612 -9.007 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.021 11.291 -9.638 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.892 12.674 -8.569 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -4.793 11.209 -11.581 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -4.047 12.664 -12.251 1.00 0.00 H new ATOM 79 N LEU A 7 -3.175 10.254 -5.634 1.00 0.00 N ATOM 80 CA LEU A 7 -2.133 9.611 -4.846 1.00 0.00 C ATOM 81 C LEU A 7 -2.773 8.544 -3.961 1.00 0.00 C ATOM 82 O LEU A 7 -2.266 7.433 -3.824 1.00 0.00 O ATOM 83 CB LEU A 7 -1.390 10.663 -4.006 1.00 0.00 C ATOM 84 CG LEU A 7 0.019 10.278 -3.535 1.00 0.00 C ATOM 85 CD1 LEU A 7 -0.048 9.165 -2.515 1.00 0.00 C ATOM 86 CD2 LEU A 7 0.893 9.873 -4.715 1.00 0.00 C ATOM 0 H LEU A 7 -3.325 11.237 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.404 9.133 -5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.318 11.580 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.995 10.891 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 7 0.470 11.151 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.960 8.906 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.630 9.495 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.523 8.291 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.887 9.604 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.447 9.017 -5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.972 10.707 -5.412 1.00 0.00 H new ATOM 98 N SER A 8 -3.911 8.887 -3.393 1.00 0.00 N ATOM 99 CA SER A 8 -4.683 7.945 -2.607 1.00 0.00 C ATOM 100 C SER A 8 -5.218 6.826 -3.504 1.00 0.00 C ATOM 101 O SER A 8 -5.343 5.674 -3.081 1.00 0.00 O ATOM 102 CB SER A 8 -5.810 8.700 -1.911 1.00 0.00 C ATOM 103 OG SER A 8 -6.619 7.834 -1.133 1.00 0.00 O ATOM 0 H SER A 8 -4.324 9.817 -3.462 1.00 0.00 H new ATOM 0 HA SER A 8 -4.055 7.478 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.388 9.476 -1.272 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.427 9.202 -2.657 1.00 0.00 H new ATOM 0 HG SER A 8 -7.330 8.351 -0.700 1.00 0.00 H new ATOM 109 N SER A 9 -5.510 7.175 -4.753 1.00 0.00 N ATOM 110 CA SER A 9 -5.900 6.202 -5.762 1.00 0.00 C ATOM 111 C SER A 9 -4.766 5.219 -6.042 1.00 0.00 C ATOM 112 O SER A 9 -5.011 4.076 -6.426 1.00 0.00 O ATOM 113 CB SER A 9 -6.318 6.908 -7.052 1.00 0.00 C ATOM 114 OG SER A 9 -7.572 7.557 -6.899 1.00 0.00 O ATOM 0 H SER A 9 -5.483 8.137 -5.091 1.00 0.00 H new ATOM 0 HA SER A 9 -6.751 5.640 -5.377 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.559 7.639 -7.332 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.377 6.183 -7.864 1.00 0.00 H new ATOM 0 HG SER A 9 -7.565 8.093 -6.078 1.00 0.00 H new ATOM 120 N GLU A 10 -3.525 5.669 -5.883 1.00 0.00 N ATOM 121 CA GLU A 10 -2.374 4.798 -6.057 1.00 0.00 C ATOM 122 C GLU A 10 -2.430 3.664 -5.051 1.00 0.00 C ATOM 123 O GLU A 10 -2.208 2.504 -5.397 1.00 0.00 O ATOM 124 CB GLU A 10 -1.077 5.579 -5.895 1.00 0.00 C ATOM 125 CG GLU A 10 -0.963 6.753 -6.845 1.00 0.00 C ATOM 126 CD GLU A 10 -1.132 6.347 -8.301 1.00 0.00 C ATOM 127 OE1 GLU A 10 -0.921 5.155 -8.629 1.00 0.00 O ATOM 128 OE2 GLU A 10 -1.475 7.217 -9.129 1.00 0.00 O ATOM 0 H GLU A 10 -3.294 6.631 -5.634 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.400 4.385 -7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.005 5.942 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.234 4.907 -6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.718 7.497 -6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.010 7.228 -6.715 1.00 0.00 H new ATOM 135 N ILE A 11 -2.739 4.009 -3.805 1.00 0.00 N ATOM 136 CA ILE A 11 -2.990 3.007 -2.776 1.00 0.00 C ATOM 137 C ILE A 11 -4.072 2.050 -3.238 1.00 0.00 C ATOM 138 O ILE A 11 -3.896 0.834 -3.199 1.00 0.00 O ATOM 139 CB ILE A 11 -3.421 3.658 -1.443 1.00 0.00 C ATOM 140 CG1 ILE A 11 -2.225 4.310 -0.768 1.00 0.00 C ATOM 141 CG2 ILE A 11 -4.062 2.634 -0.523 1.00 0.00 C ATOM 142 CD1 ILE A 11 -2.601 5.294 0.318 1.00 0.00 C ATOM 0 H ILE A 11 -2.821 4.974 -3.484 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.059 2.465 -2.609 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.163 4.427 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.593 3.533 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.629 4.825 -1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.357 3.116 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.942 2.211 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.348 1.839 -0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.696 5.718 0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.208 6.093 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.170 4.781 1.093 1.00 0.00 H new ATOM 154 N GLU A 12 -5.177 2.616 -3.705 1.00 0.00 N ATOM 155 CA GLU A 12 -6.302 1.834 -4.189 1.00 0.00 C ATOM 156 C GLU A 12 -5.879 0.883 -5.315 1.00 0.00 C ATOM 157 O GLU A 12 -6.463 -0.185 -5.486 1.00 0.00 O ATOM 158 CB GLU A 12 -7.418 2.759 -4.671 1.00 0.00 C ATOM 159 CG GLU A 12 -8.059 3.564 -3.555 1.00 0.00 C ATOM 160 CD GLU A 12 -8.837 2.698 -2.586 1.00 0.00 C ATOM 161 OE1 GLU A 12 -10.003 2.356 -2.888 1.00 0.00 O ATOM 162 OE2 GLU A 12 -8.294 2.365 -1.515 1.00 0.00 O ATOM 0 H GLU A 12 -5.317 3.625 -3.758 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.671 1.229 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.015 3.444 -5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.185 2.163 -5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.285 4.106 -3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.726 4.310 -3.987 1.00 0.00 H new ATOM 169 N ASN A 13 -4.847 1.275 -6.063 1.00 0.00 N ATOM 170 CA ASN A 13 -4.345 0.467 -7.175 1.00 0.00 C ATOM 171 C ASN A 13 -3.824 -0.883 -6.692 1.00 0.00 C ATOM 172 O ASN A 13 -4.232 -1.924 -7.206 1.00 0.00 O ATOM 173 CB ASN A 13 -3.240 1.225 -7.919 1.00 0.00 C ATOM 174 CG ASN A 13 -2.545 0.402 -8.994 1.00 0.00 C ATOM 175 OD1 ASN A 13 -1.344 0.564 -9.219 1.00 0.00 O ATOM 176 ND2 ASN A 13 -3.286 -0.460 -9.678 1.00 0.00 N ATOM 0 H ASN A 13 -4.341 2.149 -5.918 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.175 0.280 -7.857 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.669 2.116 -8.378 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.497 1.565 -7.198 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.865 -1.018 -10.421 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.277 -0.565 -9.461 1.00 0.00 H new ATOM 183 N LEU A 14 -2.951 -0.885 -5.691 1.00 0.00 N ATOM 184 CA LEU A 14 -2.445 -2.154 -5.183 1.00 0.00 C ATOM 185 C LEU A 14 -3.423 -2.745 -4.167 1.00 0.00 C ATOM 186 O LEU A 14 -3.446 -3.955 -3.942 1.00 0.00 O ATOM 187 CB LEU A 14 -0.983 -2.097 -4.654 1.00 0.00 C ATOM 188 CG LEU A 14 -0.618 -1.104 -3.543 1.00 0.00 C ATOM 189 CD1 LEU A 14 -0.803 0.323 -3.999 1.00 0.00 C ATOM 190 CD2 LEU A 14 -1.409 -1.391 -2.294 1.00 0.00 C ATOM 0 H LEU A 14 -2.588 -0.052 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.384 -2.831 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.726 -3.094 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.336 -1.886 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 14 0.439 -1.232 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.536 1.001 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.163 0.516 -4.860 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.844 0.484 -4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.136 -0.676 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.474 -1.303 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.191 -2.402 -1.949 1.00 0.00 H new ATOM 202 N MET A 15 -4.227 -1.870 -3.559 1.00 0.00 N ATOM 203 CA MET A 15 -5.327 -2.279 -2.687 1.00 0.00 C ATOM 204 C MET A 15 -6.245 -3.246 -3.414 1.00 0.00 C ATOM 205 O MET A 15 -6.629 -4.285 -2.881 1.00 0.00 O ATOM 206 CB MET A 15 -6.142 -1.056 -2.265 1.00 0.00 C ATOM 207 CG MET A 15 -5.762 -0.465 -0.919 1.00 0.00 C ATOM 208 SD MET A 15 -5.979 -1.641 0.438 1.00 0.00 S ATOM 209 CE MET A 15 -7.733 -1.990 0.320 1.00 0.00 C ATOM 0 H MET A 15 -4.133 -0.859 -3.658 1.00 0.00 H new ATOM 0 HA MET A 15 -4.904 -2.766 -1.808 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.033 -0.285 -3.027 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.196 -1.332 -2.239 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.723 -0.138 -0.950 1.00 0.00 H new ATOM 0 HG3 MET A 15 -6.369 0.420 -0.730 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.149 -2.105 1.321 1.00 0.00 H new ATOM 0 HE2 MET A 15 -8.234 -1.167 -0.189 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.884 -2.911 -0.244 1.00 0.00 H new ATOM 219 N SER A 16 -6.573 -2.896 -4.652 1.00 0.00 N ATOM 220 CA SER A 16 -7.466 -3.691 -5.480 1.00 0.00 C ATOM 221 C SER A 16 -6.879 -5.080 -5.734 1.00 0.00 C ATOM 222 O SER A 16 -7.603 -6.033 -6.033 1.00 0.00 O ATOM 223 CB SER A 16 -7.721 -2.966 -6.805 1.00 0.00 C ATOM 224 OG SER A 16 -8.885 -3.455 -7.448 1.00 0.00 O ATOM 0 H SER A 16 -6.226 -2.052 -5.109 1.00 0.00 H new ATOM 0 HA SER A 16 -8.412 -3.818 -4.954 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.827 -1.897 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.861 -3.093 -7.462 1.00 0.00 H new ATOM 0 HG SER A 16 -9.021 -2.972 -8.290 1.00 0.00 H new ATOM 230 N GLN A 17 -5.565 -5.196 -5.586 1.00 0.00 N ATOM 231 CA GLN A 17 -4.878 -6.455 -5.806 1.00 0.00 C ATOM 232 C GLN A 17 -4.962 -7.339 -4.566 1.00 0.00 C ATOM 233 O GLN A 17 -4.644 -8.527 -4.612 1.00 0.00 O ATOM 234 CB GLN A 17 -3.422 -6.191 -6.173 1.00 0.00 C ATOM 235 CG GLN A 17 -3.266 -5.415 -7.476 1.00 0.00 C ATOM 236 CD GLN A 17 -1.854 -4.930 -7.718 1.00 0.00 C ATOM 237 OE1 GLN A 17 -1.410 -4.810 -8.861 1.00 0.00 O ATOM 238 NE2 GLN A 17 -1.145 -4.642 -6.646 1.00 0.00 N ATOM 0 H GLN A 17 -4.954 -4.426 -5.313 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.363 -6.980 -6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.945 -5.635 -5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.897 -7.142 -6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.572 -6.050 -8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.940 -4.558 -7.464 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.554 -4.757 -5.718 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.187 -4.304 -6.743 1.00 0.00 H new ATOM 247 N GLY A 18 -5.387 -6.754 -3.456 1.00 0.00 N ATOM 248 CA GLY A 18 -5.564 -7.522 -2.246 1.00 0.00 C ATOM 249 C GLY A 18 -4.627 -7.096 -1.140 1.00 0.00 C ATOM 250 O GLY A 18 -4.779 -7.530 0.003 1.00 0.00 O ATOM 0 H GLY A 18 -5.612 -5.762 -3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.594 -7.419 -1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.404 -8.578 -2.465 1.00 0.00 H new ATOM 254 N TYR A 19 -3.652 -6.261 -1.484 1.00 0.00 N ATOM 255 CA TYR A 19 -2.629 -5.833 -0.532 1.00 0.00 C ATOM 256 C TYR A 19 -3.239 -5.215 0.727 1.00 0.00 C ATOM 257 O TYR A 19 -4.335 -4.654 0.696 1.00 0.00 O ATOM 258 CB TYR A 19 -1.674 -4.850 -1.201 1.00 0.00 C ATOM 259 CG TYR A 19 -0.620 -5.512 -2.062 1.00 0.00 C ATOM 260 CD1 TYR A 19 0.466 -6.161 -1.488 1.00 0.00 C ATOM 261 CD2 TYR A 19 -0.701 -5.477 -3.446 1.00 0.00 C ATOM 262 CE1 TYR A 19 1.442 -6.753 -2.267 1.00 0.00 C ATOM 263 CE2 TYR A 19 0.268 -6.071 -4.234 1.00 0.00 C ATOM 264 CZ TYR A 19 1.338 -6.704 -3.642 1.00 0.00 C ATOM 265 OH TYR A 19 2.306 -7.286 -4.432 1.00 0.00 O ATOM 0 H TYR A 19 -3.547 -5.865 -2.418 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.075 -6.718 -0.219 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.251 -4.159 -1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.181 -4.256 -0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.549 -6.204 -0.412 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.535 -4.977 -3.916 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.281 -7.251 -1.803 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.186 -6.038 -5.310 1.00 0.00 H new ATOM 0 HH TYR A 19 2.077 -7.160 -5.376 1.00 0.00 H new ATOM 275 N SER A 20 -2.506 -5.308 1.829 1.00 0.00 N ATOM 276 CA SER A 20 -3.038 -4.940 3.132 1.00 0.00 C ATOM 277 C SER A 20 -2.659 -3.516 3.522 1.00 0.00 C ATOM 278 O SER A 20 -1.499 -3.115 3.430 1.00 0.00 O ATOM 279 CB SER A 20 -2.547 -5.925 4.187 1.00 0.00 C ATOM 280 OG SER A 20 -2.888 -7.256 3.824 1.00 0.00 O ATOM 0 H SER A 20 -1.540 -5.636 1.845 1.00 0.00 H new ATOM 0 HA SER A 20 -4.126 -4.981 3.071 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.466 -5.838 4.299 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.988 -5.681 5.154 1.00 0.00 H new ATOM 0 HG SER A 20 -2.564 -7.876 4.511 1.00 0.00 H new ATOM 286 N TYR A 21 -3.661 -2.776 3.991 1.00 0.00 N ATOM 287 CA TYR A 21 -3.528 -1.348 4.276 1.00 0.00 C ATOM 288 C TYR A 21 -2.530 -1.066 5.397 1.00 0.00 C ATOM 289 O TYR A 21 -1.955 0.022 5.461 1.00 0.00 O ATOM 290 CB TYR A 21 -4.892 -0.735 4.619 1.00 0.00 C ATOM 291 CG TYR A 21 -5.634 -1.428 5.748 1.00 0.00 C ATOM 292 CD1 TYR A 21 -6.493 -2.489 5.492 1.00 0.00 C ATOM 293 CD2 TYR A 21 -5.484 -1.013 7.068 1.00 0.00 C ATOM 294 CE1 TYR A 21 -7.178 -3.119 6.513 1.00 0.00 C ATOM 295 CE2 TYR A 21 -6.168 -1.637 8.096 1.00 0.00 C ATOM 296 CZ TYR A 21 -7.013 -2.690 7.812 1.00 0.00 C ATOM 297 OH TYR A 21 -7.699 -3.313 8.832 1.00 0.00 O ATOM 0 H TYR A 21 -4.590 -3.150 4.185 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.140 -0.882 3.370 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.748 0.312 4.886 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.518 -0.753 3.727 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.628 -2.828 4.475 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.822 -0.190 7.294 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.840 -3.944 6.294 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.041 -1.302 9.115 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.470 -2.891 9.686 1.00 0.00 H new ATOM 307 N GLN A 22 -2.338 -2.033 6.287 1.00 0.00 N ATOM 308 CA GLN A 22 -1.340 -1.912 7.347 1.00 0.00 C ATOM 309 C GLN A 22 0.054 -1.743 6.747 1.00 0.00 C ATOM 310 O GLN A 22 0.808 -0.845 7.125 1.00 0.00 O ATOM 311 CB GLN A 22 -1.372 -3.140 8.266 1.00 0.00 C ATOM 312 CG GLN A 22 -1.381 -4.463 7.515 1.00 0.00 C ATOM 313 CD GLN A 22 -1.104 -5.654 8.407 1.00 0.00 C ATOM 314 OE1 GLN A 22 -0.390 -5.549 9.402 1.00 0.00 O ATOM 315 NE2 GLN A 22 -1.651 -6.804 8.047 1.00 0.00 N ATOM 0 H GLN A 22 -2.859 -2.910 6.297 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.579 -1.029 7.940 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.505 -3.112 8.926 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.257 -3.086 8.900 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.350 -4.594 7.034 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.634 -4.429 6.722 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.238 -6.851 7.214 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.486 -7.643 8.602 1.00 0.00 H new ATOM 324 N ASP A 23 0.378 -2.599 5.792 1.00 0.00 N ATOM 325 CA ASP A 23 1.676 -2.559 5.141 1.00 0.00 C ATOM 326 C ASP A 23 1.704 -1.475 4.076 1.00 0.00 C ATOM 327 O ASP A 23 2.763 -0.967 3.730 1.00 0.00 O ATOM 328 CB ASP A 23 2.009 -3.905 4.505 1.00 0.00 C ATOM 329 CG ASP A 23 1.956 -5.064 5.483 1.00 0.00 C ATOM 330 OD1 ASP A 23 0.864 -5.634 5.664 1.00 0.00 O ATOM 331 OD2 ASP A 23 3.006 -5.414 6.068 1.00 0.00 O ATOM 0 H ASP A 23 -0.243 -3.332 5.450 1.00 0.00 H new ATOM 0 HA ASP A 23 2.423 -2.335 5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.311 -4.095 3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.006 -3.855 4.067 1.00 0.00 H new ATOM 336 N ILE A 24 0.534 -1.136 3.550 1.00 0.00 N ATOM 337 CA ILE A 24 0.403 -0.044 2.592 1.00 0.00 C ATOM 338 C ILE A 24 0.863 1.264 3.210 1.00 0.00 C ATOM 339 O ILE A 24 1.684 1.981 2.635 1.00 0.00 O ATOM 340 CB ILE A 24 -1.060 0.093 2.118 1.00 0.00 C ATOM 341 CG1 ILE A 24 -1.388 -1.016 1.125 1.00 0.00 C ATOM 342 CG2 ILE A 24 -1.331 1.466 1.514 1.00 0.00 C ATOM 343 CD1 ILE A 24 -2.849 -1.090 0.769 1.00 0.00 C ATOM 0 H ILE A 24 -0.344 -1.605 3.772 1.00 0.00 H new ATOM 0 HA ILE A 24 1.033 -0.273 1.732 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.711 -0.006 2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.808 -0.862 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.075 -1.972 1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.371 1.523 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.139 2.236 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.677 1.622 0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.010 -1.901 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.434 -1.275 1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.162 -0.147 0.320 1.00 0.00 H new ATOM 355 N GLN A 25 0.347 1.557 4.393 1.00 0.00 N ATOM 356 CA GLN A 25 0.748 2.747 5.111 1.00 0.00 C ATOM 357 C GLN A 25 2.235 2.658 5.438 1.00 0.00 C ATOM 358 O GLN A 25 2.955 3.656 5.407 1.00 0.00 O ATOM 359 CB GLN A 25 -0.100 2.911 6.378 1.00 0.00 C ATOM 360 CG GLN A 25 0.043 4.270 7.046 1.00 0.00 C ATOM 361 CD GLN A 25 1.185 4.334 8.042 1.00 0.00 C ATOM 362 OE1 GLN A 25 1.804 5.382 8.222 1.00 0.00 O ATOM 363 NE2 GLN A 25 1.452 3.226 8.716 1.00 0.00 N ATOM 0 H GLN A 25 -0.349 0.986 4.872 1.00 0.00 H new ATOM 0 HA GLN A 25 0.583 3.628 4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.148 2.750 6.125 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.178 2.136 7.092 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.196 5.029 6.279 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.888 4.516 7.556 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.915 2.378 8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.195 3.221 9.415 1.00 0.00 H new ATOM 372 N LYS A 26 2.688 1.438 5.712 1.00 0.00 N ATOM 373 CA LYS A 26 4.097 1.165 5.964 1.00 0.00 C ATOM 374 C LYS A 26 4.930 1.530 4.740 1.00 0.00 C ATOM 375 O LYS A 26 5.965 2.178 4.842 1.00 0.00 O ATOM 376 CB LYS A 26 4.281 -0.315 6.287 1.00 0.00 C ATOM 377 CG LYS A 26 5.526 -0.606 7.099 1.00 0.00 C ATOM 378 CD LYS A 26 5.416 -1.933 7.819 1.00 0.00 C ATOM 379 CE LYS A 26 5.133 -3.081 6.862 1.00 0.00 C ATOM 380 NZ LYS A 26 4.990 -4.373 7.579 1.00 0.00 N ATOM 0 H LYS A 26 2.090 0.614 5.765 1.00 0.00 H new ATOM 0 HA LYS A 26 4.429 1.767 6.810 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.408 -0.670 6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.324 -0.879 5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.396 -0.617 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.684 0.192 7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.343 -2.131 8.358 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.621 -1.877 8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.221 -2.872 6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.942 -3.156 6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.108 -4.839 7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.799 -4.987 7.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.963 -4.200 8.604 1.00 0.00 H new ATOM 394 N ALA A 27 4.462 1.103 3.578 1.00 0.00 N ATOM 395 CA ALA A 27 5.115 1.426 2.319 1.00 0.00 C ATOM 396 C ALA A 27 5.206 2.930 2.126 1.00 0.00 C ATOM 397 O ALA A 27 6.216 3.439 1.662 1.00 0.00 O ATOM 398 CB ALA A 27 4.366 0.798 1.159 1.00 0.00 C ATOM 0 H ALA A 27 3.626 0.527 3.481 1.00 0.00 H new ATOM 0 HA ALA A 27 6.126 1.020 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.867 1.049 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.347 -0.285 1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.345 1.178 1.137 1.00 0.00 H new ATOM 404 N LEU A 28 4.155 3.636 2.505 1.00 0.00 N ATOM 405 CA LEU A 28 4.105 5.079 2.351 1.00 0.00 C ATOM 406 C LEU A 28 5.162 5.778 3.198 1.00 0.00 C ATOM 407 O LEU A 28 5.729 6.776 2.770 1.00 0.00 O ATOM 408 CB LEU A 28 2.729 5.594 2.731 1.00 0.00 C ATOM 409 CG LEU A 28 1.597 5.132 1.818 1.00 0.00 C ATOM 410 CD1 LEU A 28 0.264 5.329 2.508 1.00 0.00 C ATOM 411 CD2 LEU A 28 1.633 5.882 0.495 1.00 0.00 C ATOM 0 H LEU A 28 3.319 3.229 2.925 1.00 0.00 H new ATOM 0 HA LEU A 28 4.310 5.304 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.507 5.277 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.753 6.684 2.734 1.00 0.00 H new ATOM 0 HG LEU A 28 1.729 4.071 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.539 4.997 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.242 4.747 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.128 6.385 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.818 5.537 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.523 6.951 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.585 5.696 -0.003 1.00 0.00 H new ATOM 423 N VAL A 29 5.428 5.265 4.395 1.00 0.00 N ATOM 424 CA VAL A 29 6.393 5.910 5.282 1.00 0.00 C ATOM 425 C VAL A 29 7.813 5.786 4.736 1.00 0.00 C ATOM 426 O VAL A 29 8.638 6.676 4.935 1.00 0.00 O ATOM 427 CB VAL A 29 6.334 5.369 6.732 1.00 0.00 C ATOM 428 CG1 VAL A 29 4.901 5.319 7.229 1.00 0.00 C ATOM 429 CG2 VAL A 29 6.995 4.006 6.863 1.00 0.00 C ATOM 0 H VAL A 29 4.998 4.419 4.770 1.00 0.00 H new ATOM 0 HA VAL A 29 6.113 6.963 5.317 1.00 0.00 H new ATOM 0 HB VAL A 29 6.897 6.062 7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.883 4.936 8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.474 6.322 7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.315 4.663 6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.929 3.667 7.897 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.488 3.292 6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.043 4.080 6.572 1.00 0.00 H new ATOM 439 N ILE A 30 8.097 4.699 4.026 1.00 0.00 N ATOM 440 CA ILE A 30 9.409 4.516 3.440 1.00 0.00 C ATOM 441 C ILE A 30 9.444 5.178 2.074 1.00 0.00 C ATOM 442 O ILE A 30 10.467 5.719 1.648 1.00 0.00 O ATOM 443 CB ILE A 30 9.817 3.008 3.388 1.00 0.00 C ATOM 444 CG1 ILE A 30 10.946 2.737 2.373 1.00 0.00 C ATOM 445 CG2 ILE A 30 8.611 2.116 3.115 1.00 0.00 C ATOM 446 CD1 ILE A 30 10.469 2.520 0.953 1.00 0.00 C ATOM 0 H ILE A 30 7.439 3.941 3.847 1.00 0.00 H new ATOM 0 HA ILE A 30 10.154 4.998 4.073 1.00 0.00 H new ATOM 0 HB ILE A 30 10.209 2.758 4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.640 3.578 2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.504 1.858 2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.929 1.074 3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.874 2.248 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.167 2.388 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.326 2.336 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.800 1.660 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.937 3.407 0.608 1.00 0.00 H new ATOM 458 N ALA A 31 8.297 5.170 1.416 1.00 0.00 N ATOM 459 CA ALA A 31 8.160 5.740 0.092 1.00 0.00 C ATOM 460 C ALA A 31 7.846 7.221 0.143 1.00 0.00 C ATOM 461 O ALA A 31 7.565 7.823 -0.886 1.00 0.00 O ATOM 462 CB ALA A 31 7.072 5.018 -0.671 1.00 0.00 C ATOM 0 H ALA A 31 7.436 4.768 1.787 1.00 0.00 H new ATOM 0 HA ALA A 31 9.116 5.618 -0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.975 5.453 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.329 3.962 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.126 5.118 -0.138 1.00 0.00 H new ATOM 468 N GLN A 32 7.923 7.804 1.347 1.00 0.00 N ATOM 469 CA GLN A 32 7.533 9.192 1.589 1.00 0.00 C ATOM 470 C GLN A 32 6.265 9.544 0.800 1.00 0.00 C ATOM 471 O GLN A 32 6.228 10.509 0.044 1.00 0.00 O ATOM 472 CB GLN A 32 8.698 10.159 1.296 1.00 0.00 C ATOM 473 CG GLN A 32 9.996 9.478 0.863 1.00 0.00 C ATOM 474 CD GLN A 32 10.069 9.261 -0.637 1.00 0.00 C ATOM 475 OE1 GLN A 32 9.630 10.104 -1.415 1.00 0.00 O ATOM 476 NE2 GLN A 32 10.571 8.102 -1.052 1.00 0.00 N ATOM 0 H GLN A 32 8.259 7.321 2.180 1.00 0.00 H new ATOM 0 HA GLN A 32 7.295 9.305 2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.389 10.853 0.515 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.894 10.752 2.189 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.844 10.085 1.180 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.085 8.517 1.370 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.926 7.428 -0.374 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.601 7.887 -2.049 1.00 0.00 H new ATOM 485 N ASN A 33 5.238 8.711 1.021 1.00 0.00 N ATOM 486 CA ASN A 33 3.949 8.748 0.308 1.00 0.00 C ATOM 487 C ASN A 33 4.117 8.866 -1.207 1.00 0.00 C ATOM 488 O ASN A 33 3.433 9.647 -1.868 1.00 0.00 O ATOM 489 CB ASN A 33 2.989 9.831 0.852 1.00 0.00 C ATOM 490 CG ASN A 33 3.473 11.268 0.691 1.00 0.00 C ATOM 491 OD1 ASN A 33 4.157 11.807 1.563 1.00 0.00 O ATOM 492 ND2 ASN A 33 3.093 11.906 -0.406 1.00 0.00 N ATOM 0 H ASN A 33 5.281 7.970 1.721 1.00 0.00 H new ATOM 0 HA ASN A 33 3.483 7.783 0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.029 9.729 0.347 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.814 9.640 1.911 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.367 12.878 -0.551 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.527 11.425 -1.105 1.00 0.00 H new ATOM 499 N ASN A 34 5.016 8.061 -1.762 1.00 0.00 N ATOM 500 CA ASN A 34 5.199 8.017 -3.210 1.00 0.00 C ATOM 501 C ASN A 34 4.107 7.209 -3.867 1.00 0.00 C ATOM 502 O ASN A 34 3.416 6.428 -3.214 1.00 0.00 O ATOM 503 CB ASN A 34 6.540 7.404 -3.628 1.00 0.00 C ATOM 504 CG ASN A 34 7.462 8.414 -4.270 1.00 0.00 C ATOM 505 OD1 ASN A 34 7.426 8.631 -5.482 1.00 0.00 O ATOM 506 ND2 ASN A 34 8.297 9.034 -3.471 1.00 0.00 N ATOM 0 H ASN A 34 5.626 7.434 -1.237 1.00 0.00 H new ATOM 0 HA ASN A 34 5.169 9.057 -3.536 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.029 6.975 -2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.360 6.586 -4.325 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.947 9.724 -3.848 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.296 8.827 -2.472 1.00 0.00 H new ATOM 513 N ILE A 35 3.981 7.384 -5.165 1.00 0.00 N ATOM 514 CA ILE A 35 3.051 6.614 -5.953 1.00 0.00 C ATOM 515 C ILE A 35 3.559 5.181 -6.128 1.00 0.00 C ATOM 516 O ILE A 35 3.042 4.238 -5.517 1.00 0.00 O ATOM 517 CB ILE A 35 2.830 7.298 -7.326 1.00 0.00 C ATOM 518 CG1 ILE A 35 2.235 6.334 -8.346 1.00 0.00 C ATOM 519 CG2 ILE A 35 4.128 7.903 -7.845 1.00 0.00 C ATOM 520 CD1 ILE A 35 1.962 7.006 -9.659 1.00 0.00 C ATOM 0 H ILE A 35 4.521 8.064 -5.700 1.00 0.00 H new ATOM 0 HA ILE A 35 2.094 6.569 -5.433 1.00 0.00 H new ATOM 0 HB ILE A 35 2.110 8.103 -7.178 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.920 5.501 -8.500 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.308 5.916 -7.953 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.948 8.377 -8.810 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.491 8.648 -7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.875 7.118 -7.961 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.539 6.283 -10.357 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.256 7.823 -9.510 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.893 7.401 -10.066 1.00 0.00 H new ATOM 532 N GLU A 36 4.592 5.031 -6.935 1.00 0.00 N ATOM 533 CA GLU A 36 5.113 3.728 -7.277 1.00 0.00 C ATOM 534 C GLU A 36 5.972 3.153 -6.151 1.00 0.00 C ATOM 535 O GLU A 36 5.944 1.955 -5.914 1.00 0.00 O ATOM 536 CB GLU A 36 5.899 3.820 -8.583 1.00 0.00 C ATOM 537 CG GLU A 36 5.036 4.258 -9.757 1.00 0.00 C ATOM 538 CD GLU A 36 5.795 4.320 -11.063 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.559 5.284 -11.265 1.00 0.00 O ATOM 540 OE2 GLU A 36 5.621 3.410 -11.898 1.00 0.00 O ATOM 0 H GLU A 36 5.090 5.808 -7.369 1.00 0.00 H new ATOM 0 HA GLU A 36 4.276 3.043 -7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.721 4.525 -8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.342 2.849 -8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.200 3.567 -9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.613 5.240 -9.543 1.00 0.00 H new ATOM 547 N MET A 37 6.716 4.003 -5.441 1.00 0.00 N ATOM 548 CA MET A 37 7.624 3.508 -4.396 1.00 0.00 C ATOM 549 C MET A 37 6.858 2.744 -3.314 1.00 0.00 C ATOM 550 O MET A 37 7.353 1.758 -2.776 1.00 0.00 O ATOM 551 CB MET A 37 8.479 4.644 -3.777 1.00 0.00 C ATOM 552 CG MET A 37 9.481 4.147 -2.745 1.00 0.00 C ATOM 553 SD MET A 37 10.850 5.292 -2.488 1.00 0.00 S ATOM 554 CE MET A 37 11.666 5.199 -4.080 1.00 0.00 C ATOM 0 H MET A 37 6.712 5.016 -5.563 1.00 0.00 H new ATOM 0 HA MET A 37 8.314 2.815 -4.877 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.014 5.162 -4.573 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.818 5.374 -3.310 1.00 0.00 H new ATOM 0 HG2 MET A 37 8.968 3.983 -1.797 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.876 3.182 -3.064 1.00 0.00 H new ATOM 0 HE1 MET A 37 12.725 5.430 -3.960 1.00 0.00 H new ATOM 0 HE2 MET A 37 11.557 4.193 -4.486 1.00 0.00 H new ATOM 0 HE3 MET A 37 11.213 5.917 -4.763 1.00 0.00 H new ATOM 564 N ALA A 38 5.644 3.181 -3.029 1.00 0.00 N ATOM 565 CA ALA A 38 4.801 2.513 -2.047 1.00 0.00 C ATOM 566 C ALA A 38 4.257 1.188 -2.579 1.00 0.00 C ATOM 567 O ALA A 38 4.409 0.144 -1.943 1.00 0.00 O ATOM 568 CB ALA A 38 3.666 3.431 -1.657 1.00 0.00 C ATOM 0 H ALA A 38 5.217 3.998 -3.464 1.00 0.00 H new ATOM 0 HA ALA A 38 5.407 2.285 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.033 2.934 -0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.071 4.347 -1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.075 3.674 -2.540 1.00 0.00 H new ATOM 574 N LYS A 39 3.639 1.232 -3.757 1.00 0.00 N ATOM 575 CA LYS A 39 3.085 0.025 -4.375 1.00 0.00 C ATOM 576 C LYS A 39 4.192 -0.988 -4.675 1.00 0.00 C ATOM 577 O LYS A 39 3.963 -2.199 -4.660 1.00 0.00 O ATOM 578 CB LYS A 39 2.290 0.368 -5.642 1.00 0.00 C ATOM 579 CG LYS A 39 3.076 1.163 -6.661 1.00 0.00 C ATOM 580 CD LYS A 39 2.263 1.490 -7.906 1.00 0.00 C ATOM 581 CE LYS A 39 1.180 2.516 -7.611 1.00 0.00 C ATOM 582 NZ LYS A 39 0.307 2.768 -8.791 1.00 0.00 N ATOM 0 H LYS A 39 3.509 2.084 -4.302 1.00 0.00 H new ATOM 0 HA LYS A 39 2.395 -0.431 -3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.945 -0.557 -6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.402 0.934 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.422 2.090 -6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.963 0.600 -6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.924 1.871 -8.684 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.807 0.579 -8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.570 2.168 -6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.644 3.451 -7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.373 3.522 -8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.892 3.060 -9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.209 1.898 -9.033 1.00 0.00 H new ATOM 596 N ASN A 40 5.398 -0.482 -4.916 1.00 0.00 N ATOM 597 CA ASN A 40 6.552 -1.336 -5.196 1.00 0.00 C ATOM 598 C ASN A 40 7.025 -2.040 -3.931 1.00 0.00 C ATOM 599 O ASN A 40 7.398 -3.209 -3.973 1.00 0.00 O ATOM 600 CB ASN A 40 7.704 -0.524 -5.802 1.00 0.00 C ATOM 601 CG ASN A 40 7.521 -0.257 -7.287 1.00 0.00 C ATOM 602 OD1 ASN A 40 6.894 -1.041 -8.002 1.00 0.00 O ATOM 603 ND2 ASN A 40 8.078 0.845 -7.767 1.00 0.00 N ATOM 0 H ASN A 40 5.604 0.517 -4.923 1.00 0.00 H new ATOM 0 HA ASN A 40 6.237 -2.088 -5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.789 0.426 -5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.641 -1.060 -5.647 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.995 1.068 -8.759 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.590 1.471 -7.145 1.00 0.00 H new ATOM 610 N ILE A 41 6.997 -1.334 -2.806 1.00 0.00 N ATOM 611 CA ILE A 41 7.425 -1.910 -1.537 1.00 0.00 C ATOM 612 C ILE A 41 6.496 -3.029 -1.101 1.00 0.00 C ATOM 613 O ILE A 41 6.950 -4.038 -0.571 1.00 0.00 O ATOM 614 CB ILE A 41 7.552 -0.839 -0.432 1.00 0.00 C ATOM 615 CG1 ILE A 41 8.830 -0.040 -0.659 1.00 0.00 C ATOM 616 CG2 ILE A 41 7.557 -1.458 0.963 1.00 0.00 C ATOM 617 CD1 ILE A 41 10.087 -0.890 -0.629 1.00 0.00 C ATOM 0 H ILE A 41 6.683 -0.365 -2.747 1.00 0.00 H new ATOM 0 HA ILE A 41 8.417 -2.334 -1.696 1.00 0.00 H new ATOM 0 HB ILE A 41 6.684 -0.182 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.766 0.467 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.906 0.734 0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.648 -0.670 1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.627 -2.004 1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.400 -2.143 1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.958 -0.257 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.174 -1.376 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.033 -1.648 -1.411 1.00 0.00 H new ATOM 629 N LEU A 42 5.202 -2.864 -1.322 1.00 0.00 N ATOM 630 CA LEU A 42 4.265 -3.940 -1.033 1.00 0.00 C ATOM 631 C LEU A 42 4.623 -5.161 -1.864 1.00 0.00 C ATOM 632 O LEU A 42 4.667 -6.270 -1.359 1.00 0.00 O ATOM 633 CB LEU A 42 2.818 -3.527 -1.306 1.00 0.00 C ATOM 634 CG LEU A 42 2.161 -2.614 -0.261 1.00 0.00 C ATOM 635 CD1 LEU A 42 0.957 -3.290 0.343 1.00 0.00 C ATOM 636 CD2 LEU A 42 3.131 -2.226 0.839 1.00 0.00 C ATOM 0 H LEU A 42 4.781 -2.012 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 42 4.342 -4.176 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.783 -3.022 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.216 -4.431 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 42 1.851 -1.704 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.502 -2.630 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.233 -3.511 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.264 -4.218 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.627 -1.580 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.486 -3.124 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.979 -1.695 0.406 1.00 0.00 H new ATOM 648 N ARG A 43 4.903 -4.927 -3.136 1.00 0.00 N ATOM 649 CA ARG A 43 5.335 -5.984 -4.045 1.00 0.00 C ATOM 650 C ARG A 43 6.584 -6.685 -3.508 1.00 0.00 C ATOM 651 O ARG A 43 6.665 -7.917 -3.495 1.00 0.00 O ATOM 652 CB ARG A 43 5.596 -5.377 -5.434 1.00 0.00 C ATOM 653 CG ARG A 43 5.999 -6.370 -6.518 1.00 0.00 C ATOM 654 CD ARG A 43 7.504 -6.500 -6.648 1.00 0.00 C ATOM 655 NE ARG A 43 8.009 -7.739 -6.058 1.00 0.00 N ATOM 656 CZ ARG A 43 9.299 -8.068 -5.990 1.00 0.00 C ATOM 657 NH1 ARG A 43 10.229 -7.249 -6.461 1.00 0.00 N ATOM 658 NH2 ARG A 43 9.650 -9.218 -5.437 1.00 0.00 N ATOM 0 H ARG A 43 4.839 -4.005 -3.569 1.00 0.00 H new ATOM 0 HA ARG A 43 4.550 -6.736 -4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.695 -4.856 -5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.382 -4.627 -5.342 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.570 -7.346 -6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.580 -6.052 -7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.779 -6.464 -7.702 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.983 -5.649 -6.164 1.00 0.00 H new ATOM 0 HE ARG A 43 7.329 -8.395 -5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.960 -6.359 -6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.214 -7.509 -6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.936 -9.845 -5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.635 -9.477 -5.381 1.00 0.00 H new ATOM 672 N GLU A 44 7.536 -5.886 -3.050 1.00 0.00 N ATOM 673 CA GLU A 44 8.821 -6.386 -2.573 1.00 0.00 C ATOM 674 C GLU A 44 8.707 -7.081 -1.218 1.00 0.00 C ATOM 675 O GLU A 44 9.347 -8.103 -0.972 1.00 0.00 O ATOM 676 CB GLU A 44 9.812 -5.224 -2.468 1.00 0.00 C ATOM 677 CG GLU A 44 10.264 -4.685 -3.811 1.00 0.00 C ATOM 678 CD GLU A 44 11.411 -3.708 -3.683 1.00 0.00 C ATOM 679 OE1 GLU A 44 12.571 -4.166 -3.583 1.00 0.00 O ATOM 680 OE2 GLU A 44 11.165 -2.485 -3.670 1.00 0.00 O ATOM 0 H GLU A 44 7.441 -4.872 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 44 9.173 -7.125 -3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.352 -4.416 -1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.686 -5.553 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.567 -5.515 -4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.425 -4.194 -4.303 1.00 0.00 H new ATOM 687 N PHE A 45 7.886 -6.519 -0.353 1.00 0.00 N ATOM 688 CA PHE A 45 7.812 -6.945 1.037 1.00 0.00 C ATOM 689 C PHE A 45 6.610 -7.846 1.320 1.00 0.00 C ATOM 690 O PHE A 45 6.712 -9.072 1.297 1.00 0.00 O ATOM 691 CB PHE A 45 7.755 -5.701 1.933 1.00 0.00 C ATOM 692 CG PHE A 45 9.107 -5.172 2.311 1.00 0.00 C ATOM 693 CD1 PHE A 45 9.770 -4.279 1.484 1.00 0.00 C ATOM 694 CD2 PHE A 45 9.714 -5.567 3.491 1.00 0.00 C ATOM 695 CE1 PHE A 45 11.014 -3.792 1.828 1.00 0.00 C ATOM 696 CE2 PHE A 45 10.959 -5.083 3.839 1.00 0.00 C ATOM 697 CZ PHE A 45 11.610 -4.194 3.006 1.00 0.00 C ATOM 0 H PHE A 45 7.252 -5.756 -0.590 1.00 0.00 H new ATOM 0 HA PHE A 45 8.702 -7.537 1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.198 -4.918 1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.201 -5.942 2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.308 -3.961 0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.208 -6.261 4.146 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.521 -3.097 1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.424 -5.399 4.761 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.584 -3.814 3.276 1.00 0.00 H new ATOM 707 N VAL A 46 5.482 -7.212 1.572 1.00 0.00 N ATOM 708 CA VAL A 46 4.274 -7.882 2.028 1.00 0.00 C ATOM 709 C VAL A 46 3.636 -8.725 0.921 1.00 0.00 C ATOM 710 O VAL A 46 3.730 -8.404 -0.257 1.00 0.00 O ATOM 711 CB VAL A 46 3.282 -6.824 2.581 1.00 0.00 C ATOM 712 CG1 VAL A 46 3.670 -5.443 2.076 1.00 0.00 C ATOM 713 CG2 VAL A 46 1.837 -7.130 2.209 1.00 0.00 C ATOM 0 H VAL A 46 5.374 -6.203 1.465 1.00 0.00 H new ATOM 0 HA VAL A 46 4.538 -8.576 2.826 1.00 0.00 H new ATOM 0 HB VAL A 46 3.345 -6.854 3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.971 -4.703 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.678 -5.203 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.639 -5.432 0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.185 -6.360 2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.737 -7.149 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.554 -8.101 2.617 1.00 0.00 H new ATOM 723 N SER A 47 2.995 -9.814 1.308 1.00 0.00 N ATOM 724 CA SER A 47 2.383 -10.708 0.341 1.00 0.00 C ATOM 725 C SER A 47 0.867 -10.769 0.528 1.00 0.00 C ATOM 726 O SER A 47 0.330 -10.286 1.529 1.00 0.00 O ATOM 727 CB SER A 47 2.985 -12.100 0.471 1.00 0.00 C ATOM 728 OG SER A 47 4.405 -12.049 0.414 1.00 0.00 O ATOM 0 H SER A 47 2.885 -10.100 2.281 1.00 0.00 H new ATOM 0 HA SER A 47 2.583 -10.321 -0.658 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.671 -12.549 1.413 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.608 -12.739 -0.328 1.00 0.00 H new ATOM 0 HG SER A 47 4.769 -12.955 0.501 1.00 0.00 H new ATOM 734 N ILE A 48 0.183 -11.352 -0.448 1.00 0.00 N ATOM 735 CA ILE A 48 -1.263 -11.429 -0.427 1.00 0.00 C ATOM 736 C ILE A 48 -1.748 -12.869 -0.326 1.00 0.00 C ATOM 737 O ILE A 48 -1.281 -13.747 -1.054 1.00 0.00 O ATOM 738 CB ILE A 48 -1.866 -10.805 -1.690 1.00 0.00 C ATOM 739 CG1 ILE A 48 -0.777 -10.137 -2.538 1.00 0.00 C ATOM 740 CG2 ILE A 48 -2.941 -9.809 -1.309 1.00 0.00 C ATOM 741 CD1 ILE A 48 -1.319 -9.334 -3.697 1.00 0.00 C ATOM 0 H ILE A 48 0.615 -11.780 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.590 -10.876 0.454 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.319 -11.594 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.182 -9.483 -1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.105 -10.905 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.366 -9.369 -2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.726 -10.317 -0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.506 -9.023 -0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.492 -8.891 -4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.889 -9.987 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.968 -8.543 -3.320 1.00 0.00 H new ATOM 753 N SER A 49 -2.702 -13.093 0.564 1.00 0.00 N ATOM 754 CA SER A 49 -3.287 -14.412 0.752 1.00 0.00 C ATOM 755 C SER A 49 -4.494 -14.599 -0.170 1.00 0.00 C ATOM 756 O SER A 49 -4.985 -15.715 -0.348 1.00 0.00 O ATOM 757 CB SER A 49 -3.712 -14.587 2.213 1.00 0.00 C ATOM 758 OG SER A 49 -2.654 -14.251 3.099 1.00 0.00 O ATOM 0 H SER A 49 -3.090 -12.372 1.172 1.00 0.00 H new ATOM 0 HA SER A 49 -2.540 -15.165 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.578 -13.958 2.421 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.019 -15.619 2.384 1.00 0.00 H new ATOM 0 HG SER A 49 -2.952 -14.370 4.025 1.00 0.00 H new ATOM 764 N SER A 50 -4.957 -13.500 -0.761 1.00 0.00 N ATOM 765 CA SER A 50 -6.124 -13.524 -1.636 1.00 0.00 C ATOM 766 C SER A 50 -5.872 -14.406 -2.861 1.00 0.00 C ATOM 767 O SER A 50 -4.838 -14.289 -3.521 1.00 0.00 O ATOM 768 CB SER A 50 -6.487 -12.099 -2.056 1.00 0.00 C ATOM 769 OG SER A 50 -5.346 -11.398 -2.526 1.00 0.00 O ATOM 0 H SER A 50 -4.538 -12.577 -0.648 1.00 0.00 H new ATOM 0 HA SER A 50 -6.963 -13.953 -1.088 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.246 -12.129 -2.837 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.921 -11.567 -1.210 1.00 0.00 H new ATOM 0 HG SER A 50 -4.853 -11.962 -3.158 1.00 0.00 H new ATOM 775 N PRO A 51 -6.812 -15.311 -3.163 1.00 0.00 N ATOM 776 CA PRO A 51 -6.681 -16.273 -4.253 1.00 0.00 C ATOM 777 C PRO A 51 -7.023 -15.679 -5.616 1.00 0.00 C ATOM 778 O PRO A 51 -8.007 -14.944 -5.758 1.00 0.00 O ATOM 779 CB PRO A 51 -7.690 -17.378 -3.888 1.00 0.00 C ATOM 780 CG PRO A 51 -8.327 -16.955 -2.598 1.00 0.00 C ATOM 781 CD PRO A 51 -8.085 -15.481 -2.465 1.00 0.00 C ATOM 0 HA PRO A 51 -5.653 -16.624 -4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.439 -17.495 -4.671 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.190 -18.340 -3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.395 -17.174 -2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.895 -17.496 -1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.882 -14.895 -2.923 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.021 -15.172 -1.422 1.00 0.00 H new ATOM 789 N ALA A 52 -6.196 -16.012 -6.609 1.00 0.00 N ATOM 790 CA ALA A 52 -6.415 -15.619 -7.998 1.00 0.00 C ATOM 791 C ALA A 52 -6.403 -14.104 -8.173 1.00 0.00 C ATOM 792 O ALA A 52 -7.441 -13.446 -8.111 1.00 0.00 O ATOM 793 CB ALA A 52 -7.715 -16.214 -8.517 1.00 0.00 C ATOM 0 H ALA A 52 -5.351 -16.565 -6.469 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.587 -16.015 -8.586 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.865 -15.912 -9.554 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.666 -17.301 -8.459 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.547 -15.855 -7.911 1.00 0.00 H new ATOM 799 N HIS A 53 -5.217 -13.555 -8.398 1.00 0.00 N ATOM 800 CA HIS A 53 -5.066 -12.117 -8.591 1.00 0.00 C ATOM 801 C HIS A 53 -5.268 -11.750 -10.053 1.00 0.00 C ATOM 802 O HIS A 53 -6.136 -10.943 -10.385 1.00 0.00 O ATOM 803 CB HIS A 53 -3.687 -11.646 -8.123 1.00 0.00 C ATOM 804 CG HIS A 53 -3.439 -11.876 -6.669 1.00 0.00 C ATOM 805 ND1 HIS A 53 -2.361 -12.584 -6.193 1.00 0.00 N ATOM 806 CD2 HIS A 53 -4.144 -11.494 -5.584 1.00 0.00 C ATOM 807 CE1 HIS A 53 -2.413 -12.632 -4.878 1.00 0.00 C ATOM 808 NE2 HIS A 53 -3.489 -11.977 -4.478 1.00 0.00 N ATOM 0 H HIS A 53 -4.345 -14.082 -8.452 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.827 -11.617 -7.992 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.920 -12.163 -8.700 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.584 -10.582 -8.337 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.633 -13.007 -6.769 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.056 -10.915 -5.585 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.698 -13.123 -4.235 1.00 0.00 H new ATOM 817 N VAL A 54 -4.487 -12.372 -10.927 1.00 0.00 N ATOM 818 CA VAL A 54 -4.541 -12.071 -12.356 1.00 0.00 C ATOM 819 C VAL A 54 -5.594 -12.917 -13.068 1.00 0.00 C ATOM 820 O VAL A 54 -5.459 -13.241 -14.248 1.00 0.00 O ATOM 821 CB VAL A 54 -3.166 -12.272 -13.040 1.00 0.00 C ATOM 822 CG1 VAL A 54 -2.149 -11.288 -12.485 1.00 0.00 C ATOM 823 CG2 VAL A 54 -2.670 -13.702 -12.866 1.00 0.00 C ATOM 0 H VAL A 54 -3.807 -13.089 -10.673 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.819 -11.020 -12.439 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.290 -12.085 -14.107 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.188 -11.442 -12.976 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.491 -10.269 -12.668 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.038 -11.446 -11.412 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.703 -13.814 -13.356 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.566 -13.924 -11.804 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.385 -14.392 -13.313 1.00 0.00 H new ATOM 833 N ALA A 55 -6.665 -13.241 -12.350 1.00 0.00 N ATOM 834 CA ALA A 55 -7.741 -14.064 -12.894 1.00 0.00 C ATOM 835 C ALA A 55 -8.738 -13.212 -13.681 1.00 0.00 C ATOM 836 O ALA A 55 -9.916 -13.559 -13.804 1.00 0.00 O ATOM 837 CB ALA A 55 -8.450 -14.813 -11.776 1.00 0.00 C ATOM 0 H ALA A 55 -6.811 -12.945 -11.385 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.301 -14.789 -13.579 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.250 -15.422 -12.197 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.737 -15.456 -11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.872 -14.098 -11.070 1.00 0.00 H new ATOM 843 N THR A 56 -8.261 -12.085 -14.183 1.00 0.00 N ATOM 844 CA THR A 56 -9.058 -11.200 -15.011 1.00 0.00 C ATOM 845 C THR A 56 -8.140 -10.412 -15.939 1.00 0.00 C ATOM 846 O THR A 56 -7.908 -10.873 -17.074 1.00 0.00 O ATOM 847 CB THR A 56 -9.901 -10.231 -14.153 1.00 0.00 C ATOM 848 OG1 THR A 56 -10.757 -10.973 -13.276 1.00 0.00 O ATOM 849 CG2 THR A 56 -10.745 -9.316 -15.028 1.00 0.00 C ATOM 850 OXT THR A 56 -7.610 -9.366 -15.513 1.00 0.00 O ATOM 0 H THR A 56 -7.307 -11.759 -14.026 1.00 0.00 H new ATOM 0 HA THR A 56 -9.746 -11.807 -15.599 1.00 0.00 H new ATOM 0 HB THR A 56 -9.216 -9.617 -13.568 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.287 -10.352 -12.734 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.328 -8.645 -14.397 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.094 -8.730 -15.676 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.419 -9.917 -15.639 1.00 0.00 H new TER 858 THR A 56