USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 757 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 3 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 35 SER OG : rot -130:sc= -0.0584 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.103 USER MOD Single : A 20 CYS SG : rot -122:sc= 0.61 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc=-0.000466 X(o=-0.00047,f=0) USER MOD Single : A 29 THR OG1 : rot -24:sc= 0.596! USER MOD Single : A 30 GLN : amide:sc= -6.6! C(o=-6.6!,f=-7.4!) USER MOD Single : A 31 THR OG1 : rot 180:sc=-0.00557 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 118:sc= -0.514 USER MOD Single : A 36 ASN : amide:sc= -2.86! K(o=-2.9!,f=-1.3) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -2.07 K(o=-2.1,f=-11!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.786 USER MOD Single : A 63 THR OG1 : rot 60:sc= 0.188 USER MOD Single : A 65 THR OG1 : rot -160:sc= -1.48 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -2.52 X(o=-2.5,f=-2.7) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -1.07 USER MOD Single : A 89 SER OG : rot -48:sc= 1.24 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.321 0.457 -0.173 1.00 12.55 N ATOM 2 CA PRO A 1 2.021 0.473 -1.460 1.00 60.13 C ATOM 3 C PRO A 1 1.717 -0.763 -2.300 1.00 64.10 C ATOM 4 O PRO A 1 0.832 -1.551 -1.966 1.00 32.33 O ATOM 5 CB PRO A 1 3.498 0.498 -1.060 1.00 44.14 C ATOM 6 CG PRO A 1 3.535 -0.122 0.294 1.00 51.13 C ATOM 7 CD PRO A 1 2.242 0.261 0.959 1.00 20.33 C ATOM 0 H2 PRO A 1 0.625 -0.288 -0.176 1.00 12.55 H new ATOM 0 H3 PRO A 1 0.817 1.335 -0.051 1.00 12.55 H new ATOM 0 HA PRO A 1 1.719 1.318 -2.078 1.00 60.13 H new ATOM 0 HB2 PRO A 1 4.109 -0.061 -1.768 1.00 44.14 H new ATOM 0 HB3 PRO A 1 3.885 1.517 -1.040 1.00 44.14 H new ATOM 0 HG2 PRO A 1 3.632 -1.205 0.225 1.00 51.13 H new ATOM 0 HG3 PRO A 1 4.390 0.239 0.866 1.00 51.13 H new ATOM 0 HD2 PRO A 1 1.890 -0.520 1.633 1.00 20.33 H new ATOM 0 HD3 PRO A 1 2.349 1.169 1.552 1.00 20.33 H new ATOM 15 N LEU A 2 2.457 -0.928 -3.391 1.00 41.51 N ATOM 16 CA LEU A 2 2.267 -2.069 -4.279 1.00 63.23 C ATOM 17 C LEU A 2 3.487 -2.273 -5.172 1.00 22.41 C ATOM 18 O LEU A 2 4.227 -1.331 -5.457 1.00 22.04 O ATOM 19 CB LEU A 2 1.019 -1.869 -5.140 1.00 50.53 C ATOM 20 CG LEU A 2 0.970 -0.580 -5.962 1.00 2.34 C ATOM 21 CD1 LEU A 2 0.646 -0.885 -7.416 1.00 33.24 C ATOM 22 CD2 LEU A 2 -0.050 0.387 -5.377 1.00 62.33 C ATOM 0 H LEU A 2 3.194 -0.286 -3.682 1.00 41.51 H new ATOM 0 HA LEU A 2 2.137 -2.959 -3.663 1.00 63.23 H new ATOM 0 HB2 LEU A 2 0.933 -2.715 -5.822 1.00 50.53 H new ATOM 0 HB3 LEU A 2 0.145 -1.895 -4.489 1.00 50.53 H new ATOM 0 HG LEU A 2 1.952 -0.109 -5.922 1.00 2.34 H new ATOM 0 HD11 LEU A 2 0.616 0.044 -7.985 1.00 33.24 H new ATOM 0 HD12 LEU A 2 1.413 -1.539 -7.830 1.00 33.24 H new ATOM 0 HD13 LEU A 2 -0.324 -1.379 -7.477 1.00 33.24 H new ATOM 0 HD21 LEU A 2 -0.071 1.299 -5.974 1.00 62.33 H new ATOM 0 HD22 LEU A 2 -1.037 -0.076 -5.386 1.00 62.33 H new ATOM 0 HD23 LEU A 2 0.227 0.632 -4.352 1.00 62.33 H new ATOM 34 N THR A 3 3.691 -3.511 -5.613 1.00 52.13 N ATOM 35 CA THR A 3 4.820 -3.839 -6.475 1.00 32.15 C ATOM 36 C THR A 3 4.366 -4.619 -7.703 1.00 33.42 C ATOM 37 O THR A 3 3.335 -5.292 -7.676 1.00 53.25 O ATOM 38 CB THR A 3 5.881 -4.663 -5.720 1.00 52.34 C ATOM 39 OG1 THR A 3 7.089 -4.723 -6.486 1.00 4.20 O ATOM 40 CG2 THR A 3 5.378 -6.072 -5.446 1.00 54.21 C ATOM 0 H THR A 3 3.089 -4.303 -5.387 1.00 52.13 H new ATOM 0 HA THR A 3 5.261 -2.894 -6.792 1.00 32.15 H new ATOM 0 HB THR A 3 6.079 -4.174 -4.766 1.00 52.34 H new ATOM 0 HG1 THR A 3 7.759 -5.247 -5.999 1.00 4.20 H new ATOM 0 HG21 THR A 3 6.144 -6.634 -4.912 1.00 54.21 H new ATOM 0 HG22 THR A 3 4.474 -6.024 -4.839 1.00 54.21 H new ATOM 0 HG23 THR A 3 5.155 -6.569 -6.390 1.00 54.21 H new ATOM 48 N ARG A 4 5.142 -4.526 -8.778 1.00 32.24 N ATOM 49 CA ARG A 4 4.818 -5.224 -10.016 1.00 43.43 C ATOM 50 C ARG A 4 5.427 -6.623 -10.027 1.00 42.35 C ATOM 51 O ARG A 4 6.361 -6.926 -9.284 1.00 73.13 O ATOM 52 CB ARG A 4 5.322 -4.427 -11.221 1.00 72.14 C ATOM 53 CG ARG A 4 4.233 -3.631 -11.923 1.00 65.44 C ATOM 54 CD ARG A 4 4.476 -2.135 -11.809 1.00 11.53 C ATOM 55 NE ARG A 4 3.429 -1.358 -12.468 1.00 31.52 N ATOM 56 CZ ARG A 4 3.461 -0.036 -12.591 1.00 25.20 C ATOM 57 NH1 ARG A 4 4.483 0.653 -12.103 1.00 1.43 N ATOM 58 NH2 ARG A 4 2.471 0.599 -13.204 1.00 72.22 N ATOM 0 H ARG A 4 5.999 -3.974 -8.816 1.00 32.24 H new ATOM 0 HA ARG A 4 3.734 -5.318 -10.078 1.00 43.43 H new ATOM 0 HB2 ARG A 4 6.105 -3.744 -10.892 1.00 72.14 H new ATOM 0 HB3 ARG A 4 5.777 -5.113 -11.935 1.00 72.14 H new ATOM 0 HG2 ARG A 4 4.193 -3.915 -12.975 1.00 65.44 H new ATOM 0 HG3 ARG A 4 3.264 -3.877 -11.489 1.00 65.44 H new ATOM 0 HD2 ARG A 4 4.527 -1.855 -10.757 1.00 11.53 H new ATOM 0 HD3 ARG A 4 5.442 -1.890 -12.251 1.00 11.53 H new ATOM 0 HE ARG A 4 2.629 -1.859 -12.855 1.00 31.52 H new ATOM 0 HH11 ARG A 4 5.247 0.168 -11.632 1.00 1.43 H new ATOM 0 HH12 ARG A 4 4.506 1.668 -12.199 1.00 1.43 H new ATOM 0 HH21 ARG A 4 1.684 0.072 -13.582 1.00 72.22 H new ATOM 0 HH22 ARG A 4 2.497 1.614 -13.298 1.00 72.22 H new ATOM 72 N PRO A 5 4.887 -7.497 -10.890 1.00 1.51 N ATOM 73 CA PRO A 5 5.361 -8.878 -11.019 1.00 3.43 C ATOM 74 C PRO A 5 6.746 -8.958 -11.652 1.00 70.33 C ATOM 75 O PRO A 5 6.881 -9.272 -12.835 1.00 74.42 O ATOM 76 CB PRO A 5 4.317 -9.528 -11.930 1.00 44.42 C ATOM 77 CG PRO A 5 3.747 -8.399 -12.718 1.00 10.02 C ATOM 78 CD PRO A 5 3.772 -7.203 -11.806 1.00 61.41 C ATOM 0 HA PRO A 5 5.463 -9.367 -10.050 1.00 3.43 H new ATOM 0 HB2 PRO A 5 4.770 -10.276 -12.581 1.00 44.42 H new ATOM 0 HB3 PRO A 5 3.546 -10.035 -11.350 1.00 44.42 H new ATOM 0 HG2 PRO A 5 4.334 -8.216 -13.618 1.00 10.02 H new ATOM 0 HG3 PRO A 5 2.730 -8.623 -13.041 1.00 10.02 H new ATOM 0 HD2 PRO A 5 3.939 -6.279 -12.359 1.00 61.41 H new ATOM 0 HD3 PRO A 5 2.831 -7.087 -11.269 1.00 61.41 H new ATOM 86 N TYR A 6 7.772 -8.674 -10.858 1.00 41.44 N ATOM 87 CA TYR A 6 9.147 -8.712 -11.343 1.00 31.23 C ATOM 88 C TYR A 6 9.993 -9.666 -10.505 1.00 0.01 C ATOM 89 O TYR A 6 9.984 -9.605 -9.275 1.00 25.34 O ATOM 90 CB TYR A 6 9.759 -7.311 -11.315 1.00 2.24 C ATOM 91 CG TYR A 6 9.925 -6.695 -12.685 1.00 52.34 C ATOM 92 CD1 TYR A 6 9.042 -5.724 -13.143 1.00 60.25 C ATOM 93 CD2 TYR A 6 10.963 -7.083 -13.523 1.00 31.51 C ATOM 94 CE1 TYR A 6 9.189 -5.159 -14.395 1.00 52.15 C ATOM 95 CE2 TYR A 6 11.118 -6.523 -14.776 1.00 2.43 C ATOM 96 CZ TYR A 6 10.229 -5.561 -15.208 1.00 34.14 C ATOM 97 OH TYR A 6 10.379 -5.001 -16.455 1.00 41.05 O ATOM 0 H TYR A 6 7.678 -8.415 -9.876 1.00 41.44 H new ATOM 0 HA TYR A 6 9.133 -9.074 -12.371 1.00 31.23 H new ATOM 0 HB2 TYR A 6 9.129 -6.661 -10.708 1.00 2.24 H new ATOM 0 HB3 TYR A 6 10.733 -7.359 -10.827 1.00 2.24 H new ATOM 0 HD1 TYR A 6 8.227 -5.406 -12.509 1.00 60.25 H new ATOM 0 HD2 TYR A 6 11.661 -7.836 -13.189 1.00 31.51 H new ATOM 0 HE1 TYR A 6 8.493 -4.406 -14.736 1.00 52.15 H new ATOM 0 HE2 TYR A 6 11.931 -6.837 -15.414 1.00 2.43 H new ATOM 0 HH TYR A 6 11.160 -5.393 -16.898 1.00 41.05 H new ATOM 107 N LEU A 7 10.724 -10.546 -11.180 1.00 73.31 N ATOM 108 CA LEU A 7 11.577 -11.514 -10.500 1.00 24.03 C ATOM 109 C LEU A 7 13.049 -11.252 -10.805 1.00 54.23 C ATOM 110 O LEU A 7 13.460 -11.240 -11.965 1.00 20.54 O ATOM 111 CB LEU A 7 11.203 -12.937 -10.919 1.00 5.12 C ATOM 112 CG LEU A 7 10.296 -13.703 -9.956 1.00 74.32 C ATOM 113 CD1 LEU A 7 11.045 -14.052 -8.679 1.00 74.05 C ATOM 114 CD2 LEU A 7 9.048 -12.892 -9.640 1.00 54.10 C ATOM 0 H LEU A 7 10.743 -10.609 -12.198 1.00 73.31 H new ATOM 0 HA LEU A 7 11.422 -11.406 -9.426 1.00 24.03 H new ATOM 0 HB2 LEU A 7 10.711 -12.891 -11.891 1.00 5.12 H new ATOM 0 HB3 LEU A 7 12.122 -13.508 -11.053 1.00 5.12 H new ATOM 0 HG LEU A 7 9.990 -14.632 -10.438 1.00 74.32 H new ATOM 0 HD11 LEU A 7 10.383 -14.597 -8.006 1.00 74.05 H new ATOM 0 HD12 LEU A 7 11.907 -14.673 -8.921 1.00 74.05 H new ATOM 0 HD13 LEU A 7 11.382 -13.136 -8.193 1.00 74.05 H new ATOM 0 HD21 LEU A 7 8.414 -13.453 -8.953 1.00 54.10 H new ATOM 0 HD22 LEU A 7 9.335 -11.947 -9.179 1.00 54.10 H new ATOM 0 HD23 LEU A 7 8.499 -12.695 -10.561 1.00 54.10 H new ATOM 126 N GLY A 8 13.838 -11.043 -9.756 1.00 31.24 N ATOM 127 CA GLY A 8 15.255 -10.786 -9.933 1.00 22.33 C ATOM 128 C GLY A 8 16.121 -11.730 -9.122 1.00 62.12 C ATOM 129 O GLY A 8 17.250 -11.394 -8.763 1.00 31.42 O ATOM 0 H GLY A 8 13.521 -11.047 -8.786 1.00 31.24 H new ATOM 0 HA2 GLY A 8 15.509 -10.881 -10.989 1.00 22.33 H new ATOM 0 HA3 GLY A 8 15.474 -9.758 -9.644 1.00 22.33 H new ATOM 133 N PHE A 9 15.592 -12.914 -8.832 1.00 1.03 N ATOM 134 CA PHE A 9 16.324 -13.909 -8.056 1.00 15.32 C ATOM 135 C PHE A 9 15.866 -15.320 -8.412 1.00 21.12 C ATOM 136 O PHE A 9 14.858 -15.504 -9.095 1.00 4.22 O ATOM 137 CB PHE A 9 16.131 -13.661 -6.558 1.00 42.43 C ATOM 138 CG PHE A 9 14.707 -13.806 -6.105 1.00 32.44 C ATOM 139 CD1 PHE A 9 14.314 -14.902 -5.352 1.00 41.35 C ATOM 140 CD2 PHE A 9 13.760 -12.848 -6.431 1.00 24.42 C ATOM 141 CE1 PHE A 9 13.004 -15.039 -4.933 1.00 41.10 C ATOM 142 CE2 PHE A 9 12.449 -12.980 -6.014 1.00 3.11 C ATOM 143 CZ PHE A 9 12.070 -14.077 -5.265 1.00 64.02 C ATOM 0 H PHE A 9 14.659 -13.208 -9.122 1.00 1.03 H new ATOM 0 HA PHE A 9 17.382 -13.817 -8.299 1.00 15.32 H new ATOM 0 HB2 PHE A 9 16.754 -14.359 -5.999 1.00 42.43 H new ATOM 0 HB3 PHE A 9 16.480 -12.657 -6.316 1.00 42.43 H new ATOM 0 HD1 PHE A 9 15.040 -15.657 -5.090 1.00 41.35 H new ATOM 0 HD2 PHE A 9 14.050 -11.989 -7.017 1.00 24.42 H new ATOM 0 HE1 PHE A 9 12.711 -15.897 -4.347 1.00 41.10 H new ATOM 0 HE2 PHE A 9 11.721 -12.226 -6.274 1.00 3.11 H new ATOM 0 HZ PHE A 9 11.046 -14.182 -4.940 1.00 64.02 H new ATOM 153 N ARG A 10 16.615 -16.314 -7.944 1.00 54.24 N ATOM 154 CA ARG A 10 16.288 -17.709 -8.214 1.00 52.24 C ATOM 155 C ARG A 10 15.903 -18.436 -6.929 1.00 54.52 C ATOM 156 O ARG A 10 16.402 -18.117 -5.850 1.00 15.22 O ATOM 157 CB ARG A 10 17.474 -18.414 -8.876 1.00 14.33 C ATOM 158 CG ARG A 10 17.492 -18.284 -10.390 1.00 31.10 C ATOM 159 CD ARG A 10 18.270 -19.419 -11.037 1.00 34.51 C ATOM 160 NE ARG A 10 19.670 -19.068 -11.257 1.00 52.24 N ATOM 161 CZ ARG A 10 20.501 -19.791 -11.999 1.00 61.02 C ATOM 162 NH1 ARG A 10 20.075 -20.899 -12.589 1.00 61.32 N ATOM 163 NH2 ARG A 10 21.762 -19.406 -12.153 1.00 15.34 N ATOM 0 H ARG A 10 17.452 -16.179 -7.376 1.00 54.24 H new ATOM 0 HA ARG A 10 15.435 -17.731 -8.893 1.00 52.24 H new ATOM 0 HB2 ARG A 10 18.400 -18.004 -8.474 1.00 14.33 H new ATOM 0 HB3 ARG A 10 17.452 -19.471 -8.611 1.00 14.33 H new ATOM 0 HG2 ARG A 10 16.470 -18.280 -10.768 1.00 31.10 H new ATOM 0 HG3 ARG A 10 17.939 -17.330 -10.669 1.00 31.10 H new ATOM 0 HD2 ARG A 10 18.214 -20.304 -10.403 1.00 34.51 H new ATOM 0 HD3 ARG A 10 17.808 -19.679 -11.989 1.00 34.51 H new ATOM 0 HE ARG A 10 20.030 -18.221 -10.817 1.00 52.24 H new ATOM 0 HH11 ARG A 10 19.107 -21.198 -12.474 1.00 61.32 H new ATOM 0 HH12 ARG A 10 20.715 -21.452 -13.158 1.00 61.32 H new ATOM 0 HH21 ARG A 10 22.094 -18.554 -11.701 1.00 15.34 H new ATOM 0 HH22 ARG A 10 22.399 -19.962 -12.723 1.00 15.34 H new ATOM 177 N VAL A 11 15.011 -19.414 -7.053 1.00 10.30 N ATOM 178 CA VAL A 11 14.559 -20.186 -5.902 1.00 71.21 C ATOM 179 C VAL A 11 14.529 -21.677 -6.218 1.00 65.33 C ATOM 180 O VAL A 11 13.880 -22.107 -7.171 1.00 61.40 O ATOM 181 CB VAL A 11 13.157 -19.742 -5.444 1.00 22.14 C ATOM 182 CG1 VAL A 11 13.231 -18.409 -4.714 1.00 61.33 C ATOM 183 CG2 VAL A 11 12.210 -19.658 -6.631 1.00 45.43 C ATOM 0 H VAL A 11 14.587 -19.690 -7.939 1.00 10.30 H new ATOM 0 HA VAL A 11 15.271 -20.002 -5.098 1.00 71.21 H new ATOM 0 HB VAL A 11 12.767 -20.487 -4.751 1.00 22.14 H new ATOM 0 HG11 VAL A 11 12.231 -18.111 -4.398 1.00 61.33 H new ATOM 0 HG12 VAL A 11 13.874 -18.508 -3.839 1.00 61.33 H new ATOM 0 HG13 VAL A 11 13.641 -17.651 -5.381 1.00 61.33 H new ATOM 0 HG21 VAL A 11 11.224 -19.343 -6.288 1.00 45.43 H new ATOM 0 HG22 VAL A 11 12.592 -18.934 -7.351 1.00 45.43 H new ATOM 0 HG23 VAL A 11 12.134 -20.636 -7.105 1.00 45.43 H new ATOM 193 N ALA A 12 15.237 -22.462 -5.412 1.00 1.31 N ATOM 194 CA ALA A 12 15.290 -23.906 -5.604 1.00 1.40 C ATOM 195 C ALA A 12 14.681 -24.640 -4.415 1.00 21.44 C ATOM 196 O ALA A 12 15.131 -24.485 -3.279 1.00 63.34 O ATOM 197 CB ALA A 12 16.726 -24.356 -5.826 1.00 24.01 C ATOM 0 H ALA A 12 15.782 -22.122 -4.620 1.00 1.31 H new ATOM 0 HA ALA A 12 14.703 -24.152 -6.489 1.00 1.40 H new ATOM 0 HB1 ALA A 12 16.751 -25.436 -5.968 1.00 24.01 H new ATOM 0 HB2 ALA A 12 17.129 -23.864 -6.712 1.00 24.01 H new ATOM 0 HB3 ALA A 12 17.329 -24.090 -4.958 1.00 24.01 H new ATOM 203 N VAL A 13 13.654 -25.441 -4.682 1.00 51.41 N ATOM 204 CA VAL A 13 12.983 -26.200 -3.634 1.00 1.13 C ATOM 205 C VAL A 13 13.765 -27.461 -3.282 1.00 50.42 C ATOM 206 O VAL A 13 14.081 -28.271 -4.152 1.00 51.35 O ATOM 207 CB VAL A 13 11.555 -26.595 -4.053 1.00 72.24 C ATOM 208 CG1 VAL A 13 11.576 -27.355 -5.371 1.00 22.43 C ATOM 209 CG2 VAL A 13 10.889 -27.421 -2.963 1.00 13.42 C ATOM 0 H VAL A 13 13.269 -25.581 -5.616 1.00 51.41 H new ATOM 0 HA VAL A 13 12.930 -25.552 -2.759 1.00 1.13 H new ATOM 0 HB VAL A 13 10.972 -25.685 -4.195 1.00 72.24 H new ATOM 0 HG11 VAL A 13 10.558 -27.626 -5.651 1.00 22.43 H new ATOM 0 HG12 VAL A 13 12.011 -26.725 -6.147 1.00 22.43 H new ATOM 0 HG13 VAL A 13 12.175 -28.259 -5.260 1.00 22.43 H new ATOM 0 HG21 VAL A 13 9.881 -27.691 -3.276 1.00 13.42 H new ATOM 0 HG22 VAL A 13 11.469 -28.327 -2.787 1.00 13.42 H new ATOM 0 HG23 VAL A 13 10.839 -26.838 -2.044 1.00 13.42 H new ATOM 219 N GLY A 14 14.074 -27.620 -1.999 1.00 22.21 N ATOM 220 CA GLY A 14 14.817 -28.785 -1.554 1.00 73.11 C ATOM 221 C GLY A 14 14.648 -29.049 -0.071 1.00 10.41 C ATOM 222 O GLY A 14 13.609 -28.732 0.508 1.00 10.54 O ATOM 0 H GLY A 14 13.823 -26.963 -1.260 1.00 22.21 H new ATOM 0 HA2 GLY A 14 14.487 -29.659 -2.115 1.00 73.11 H new ATOM 0 HA3 GLY A 14 15.875 -28.644 -1.777 1.00 73.11 H new ATOM 226 N ARG A 15 15.671 -29.632 0.545 1.00 1.30 N ATOM 227 CA ARG A 15 15.630 -29.941 1.969 1.00 1.53 C ATOM 228 C ARG A 15 16.913 -29.489 2.661 1.00 63.04 C ATOM 229 O ARG A 15 18.002 -29.585 2.094 1.00 22.13 O ATOM 230 CB ARG A 15 15.425 -31.442 2.182 1.00 53.53 C ATOM 231 CG ARG A 15 14.229 -32.005 1.431 1.00 44.13 C ATOM 232 CD ARG A 15 13.153 -32.497 2.386 1.00 60.04 C ATOM 233 NE ARG A 15 12.248 -33.449 1.747 1.00 64.12 N ATOM 234 CZ ARG A 15 11.199 -33.988 2.357 1.00 74.12 C ATOM 235 NH1 ARG A 15 10.923 -33.670 3.614 1.00 54.11 N ATOM 236 NH2 ARG A 15 10.422 -34.847 1.709 1.00 61.12 N ATOM 0 H ARG A 15 16.538 -29.900 0.080 1.00 1.30 H new ATOM 0 HA ARG A 15 14.791 -29.401 2.408 1.00 1.53 H new ATOM 0 HB2 ARG A 15 16.324 -31.971 1.866 1.00 53.53 H new ATOM 0 HB3 ARG A 15 15.299 -31.636 3.247 1.00 53.53 H new ATOM 0 HG2 ARG A 15 13.814 -31.237 0.778 1.00 44.13 H new ATOM 0 HG3 ARG A 15 14.553 -32.826 0.792 1.00 44.13 H new ATOM 0 HD2 ARG A 15 13.623 -32.967 3.250 1.00 60.04 H new ATOM 0 HD3 ARG A 15 12.581 -31.646 2.757 1.00 60.04 H new ATOM 0 HE ARG A 15 12.432 -33.714 0.779 1.00 64.12 H new ATOM 0 HH11 ARG A 15 11.517 -33.010 4.115 1.00 54.11 H new ATOM 0 HH12 ARG A 15 10.116 -34.086 4.080 1.00 54.11 H new ATOM 0 HH21 ARG A 15 10.630 -35.094 0.741 1.00 61.12 H new ATOM 0 HH22 ARG A 15 9.616 -35.261 2.179 1.00 61.12 H new ATOM 250 N ASP A 16 16.777 -28.996 3.887 1.00 75.33 N ATOM 251 CA ASP A 16 17.924 -28.530 4.656 1.00 65.21 C ATOM 252 C ASP A 16 18.380 -29.593 5.651 1.00 72.33 C ATOM 253 O ASP A 16 17.841 -30.699 5.683 1.00 74.45 O ATOM 254 CB ASP A 16 17.579 -27.237 5.395 1.00 12.32 C ATOM 255 CG ASP A 16 16.202 -27.282 6.029 1.00 63.21 C ATOM 256 OD1 ASP A 16 15.203 -27.212 5.283 1.00 12.21 O ATOM 257 OD2 ASP A 16 16.124 -27.389 7.270 1.00 25.05 O ATOM 0 H ASP A 16 15.883 -28.909 4.370 1.00 75.33 H new ATOM 0 HA ASP A 16 18.740 -28.335 3.961 1.00 65.21 H new ATOM 0 HB2 ASP A 16 18.326 -27.053 6.168 1.00 12.32 H new ATOM 0 HB3 ASP A 16 17.628 -26.400 4.699 1.00 12.32 H new ATOM 262 N SER A 17 19.376 -29.250 6.461 1.00 63.42 N ATOM 263 CA SER A 17 19.908 -30.177 7.453 1.00 13.15 C ATOM 264 C SER A 17 18.824 -30.593 8.444 1.00 50.34 C ATOM 265 O SER A 17 18.883 -31.675 9.027 1.00 75.24 O ATOM 266 CB SER A 17 21.080 -29.539 8.201 1.00 21.03 C ATOM 267 OG SER A 17 21.859 -30.521 8.862 1.00 34.52 O ATOM 0 H SER A 17 19.831 -28.337 6.450 1.00 63.42 H new ATOM 0 HA SER A 17 20.260 -31.067 6.931 1.00 13.15 H new ATOM 0 HB2 SER A 17 21.705 -28.986 7.500 1.00 21.03 H new ATOM 0 HB3 SER A 17 20.703 -28.820 8.928 1.00 21.03 H new ATOM 0 HG SER A 17 22.602 -30.088 9.331 1.00 34.52 H new ATOM 273 N SER A 18 17.835 -29.724 8.628 1.00 1.22 N ATOM 274 CA SER A 18 16.739 -29.998 9.550 1.00 2.33 C ATOM 275 C SER A 18 15.618 -30.760 8.851 1.00 62.24 C ATOM 276 O SER A 18 15.333 -31.910 9.183 1.00 51.15 O ATOM 277 CB SER A 18 16.196 -28.691 10.133 1.00 64.31 C ATOM 278 OG SER A 18 14.784 -28.730 10.244 1.00 22.53 O ATOM 0 H SER A 18 17.770 -28.825 8.151 1.00 1.22 H new ATOM 0 HA SER A 18 17.125 -30.617 10.360 1.00 2.33 H new ATOM 0 HB2 SER A 18 16.636 -28.516 11.115 1.00 64.31 H new ATOM 0 HB3 SER A 18 16.491 -27.856 9.498 1.00 64.31 H new ATOM 0 HG SER A 18 14.462 -27.884 10.620 1.00 22.53 H new ATOM 284 N GLY A 19 14.985 -30.110 7.879 1.00 42.22 N ATOM 285 CA GLY A 19 13.902 -30.741 7.147 1.00 44.52 C ATOM 286 C GLY A 19 12.567 -30.068 7.394 1.00 34.20 C ATOM 287 O GLY A 19 11.622 -30.704 7.863 1.00 14.32 O ATOM 0 H GLY A 19 15.203 -29.158 7.585 1.00 42.22 H new ATOM 0 HA2 GLY A 19 14.126 -30.717 6.081 1.00 44.52 H new ATOM 0 HA3 GLY A 19 13.835 -31.790 7.435 1.00 44.52 H new ATOM 291 N CYS A 20 12.487 -28.780 7.080 1.00 45.01 N ATOM 292 CA CYS A 20 11.258 -28.020 7.273 1.00 14.01 C ATOM 293 C CYS A 20 10.664 -27.596 5.934 1.00 44.25 C ATOM 294 O CYS A 20 9.745 -26.778 5.880 1.00 45.34 O ATOM 295 CB CYS A 20 11.525 -26.788 8.139 1.00 64.10 C ATOM 296 SG CYS A 20 10.765 -26.858 9.778 1.00 60.31 S ATOM 0 H CYS A 20 13.260 -28.240 6.690 1.00 45.01 H new ATOM 0 HA CYS A 20 10.540 -28.663 7.781 1.00 14.01 H new ATOM 0 HB2 CYS A 20 12.602 -26.665 8.255 1.00 64.10 H new ATOM 0 HB3 CYS A 20 11.158 -25.904 7.618 1.00 64.10 H new ATOM 0 HG CYS A 20 9.976 -25.837 9.934 1.00 60.31 H new ATOM 302 N THR A 21 11.197 -28.157 4.852 1.00 1.51 N ATOM 303 CA THR A 21 10.723 -27.835 3.512 1.00 11.31 C ATOM 304 C THR A 21 10.801 -26.336 3.246 1.00 10.34 C ATOM 305 O THR A 21 9.795 -25.628 3.317 1.00 63.40 O ATOM 306 CB THR A 21 9.272 -28.307 3.301 1.00 20.11 C ATOM 307 OG1 THR A 21 9.116 -29.644 3.790 1.00 62.15 O ATOM 308 CG2 THR A 21 8.894 -28.252 1.829 1.00 71.44 C ATOM 0 H THR A 21 11.957 -28.837 4.878 1.00 1.51 H new ATOM 0 HA THR A 21 11.374 -28.360 2.812 1.00 11.31 H new ATOM 0 HB THR A 21 8.612 -27.639 3.854 1.00 20.11 H new ATOM 0 HG1 THR A 21 8.191 -29.936 3.654 1.00 62.15 H new ATOM 0 HG21 THR A 21 7.865 -28.590 1.705 1.00 71.44 H new ATOM 0 HG22 THR A 21 8.986 -27.228 1.468 1.00 71.44 H new ATOM 0 HG23 THR A 21 9.560 -28.899 1.258 1.00 71.44 H new ATOM 316 N THR A 22 12.002 -25.855 2.940 1.00 61.44 N ATOM 317 CA THR A 22 12.212 -24.440 2.664 1.00 55.23 C ATOM 318 C THR A 22 13.021 -24.242 1.387 1.00 32.30 C ATOM 319 O THR A 22 13.740 -25.142 0.950 1.00 75.11 O ATOM 320 CB THR A 22 12.935 -23.741 3.830 1.00 24.11 C ATOM 321 OG1 THR A 22 13.383 -22.444 3.422 1.00 41.40 O ATOM 322 CG2 THR A 22 14.122 -24.567 4.303 1.00 20.11 C ATOM 0 H THR A 22 12.845 -26.426 2.877 1.00 61.44 H new ATOM 0 HA THR A 22 11.226 -23.994 2.538 1.00 55.23 H new ATOM 0 HB THR A 22 12.231 -23.638 4.656 1.00 24.11 H new ATOM 0 HG1 THR A 22 13.840 -22.006 4.170 1.00 41.40 H new ATOM 0 HG21 THR A 22 14.617 -24.054 5.127 1.00 20.11 H new ATOM 0 HG22 THR A 22 13.774 -25.543 4.640 1.00 20.11 H new ATOM 0 HG23 THR A 22 14.826 -24.697 3.481 1.00 20.11 H new ATOM 330 N LEU A 23 12.901 -23.060 0.793 1.00 33.20 N ATOM 331 CA LEU A 23 13.623 -22.744 -0.435 1.00 34.04 C ATOM 332 C LEU A 23 14.845 -21.881 -0.140 1.00 43.24 C ATOM 333 O LEU A 23 14.851 -21.099 0.810 1.00 25.25 O ATOM 334 CB LEU A 23 12.701 -22.024 -1.420 1.00 51.24 C ATOM 335 CG LEU A 23 11.746 -22.912 -2.219 1.00 23.43 C ATOM 336 CD1 LEU A 23 10.762 -23.607 -1.291 1.00 22.44 C ATOM 337 CD2 LEU A 23 11.007 -22.094 -3.267 1.00 13.11 C ATOM 0 H LEU A 23 12.311 -22.305 1.141 1.00 33.20 H new ATOM 0 HA LEU A 23 13.961 -23.679 -0.881 1.00 34.04 H new ATOM 0 HB2 LEU A 23 12.109 -21.295 -0.866 1.00 51.24 H new ATOM 0 HB3 LEU A 23 13.319 -21.465 -2.123 1.00 51.24 H new ATOM 0 HG LEU A 23 12.333 -23.675 -2.731 1.00 23.43 H new ATOM 0 HD11 LEU A 23 10.090 -24.234 -1.877 1.00 22.44 H new ATOM 0 HD12 LEU A 23 11.308 -24.226 -0.579 1.00 22.44 H new ATOM 0 HD13 LEU A 23 10.181 -22.859 -0.751 1.00 22.44 H new ATOM 0 HD21 LEU A 23 10.332 -22.743 -3.826 1.00 13.11 H new ATOM 0 HD22 LEU A 23 10.432 -21.308 -2.777 1.00 13.11 H new ATOM 0 HD23 LEU A 23 11.726 -21.644 -3.951 1.00 13.11 H new ATOM 349 N SER A 24 15.878 -22.027 -0.964 1.00 43.42 N ATOM 350 CA SER A 24 17.108 -21.261 -0.791 1.00 75.55 C ATOM 351 C SER A 24 17.324 -20.310 -1.964 1.00 1.41 C ATOM 352 O SER A 24 17.186 -20.696 -3.125 1.00 13.01 O ATOM 353 CB SER A 24 18.305 -22.204 -0.657 1.00 42.10 C ATOM 354 OG SER A 24 18.026 -23.469 -1.232 1.00 11.33 O ATOM 0 H SER A 24 15.888 -22.668 -1.757 1.00 43.42 H new ATOM 0 HA SER A 24 17.015 -20.671 0.121 1.00 75.55 H new ATOM 0 HB2 SER A 24 19.175 -21.764 -1.144 1.00 42.10 H new ATOM 0 HB3 SER A 24 18.558 -22.328 0.396 1.00 42.10 H new ATOM 0 HG SER A 24 18.807 -24.052 -1.134 1.00 11.33 H new ATOM 360 N ILE A 25 17.665 -19.064 -1.651 1.00 55.22 N ATOM 361 CA ILE A 25 17.901 -18.057 -2.678 1.00 4.42 C ATOM 362 C ILE A 25 19.358 -18.064 -3.130 1.00 32.31 C ATOM 363 O ILE A 25 20.273 -18.053 -2.307 1.00 13.20 O ATOM 364 CB ILE A 25 17.539 -16.646 -2.177 1.00 74.10 C ATOM 365 CG1 ILE A 25 16.160 -16.656 -1.513 1.00 51.24 C ATOM 366 CG2 ILE A 25 17.572 -15.651 -3.327 1.00 51.22 C ATOM 367 CD1 ILE A 25 15.043 -17.065 -2.447 1.00 73.05 C ATOM 0 H ILE A 25 17.784 -18.728 -0.695 1.00 55.22 H new ATOM 0 HA ILE A 25 17.259 -18.311 -3.522 1.00 4.42 H new ATOM 0 HB ILE A 25 18.277 -16.339 -1.436 1.00 74.10 H new ATOM 0 HG12 ILE A 25 16.180 -17.338 -0.663 1.00 51.24 H new ATOM 0 HG13 ILE A 25 15.948 -15.662 -1.119 1.00 51.24 H new ATOM 0 HG21 ILE A 25 17.314 -14.659 -2.957 1.00 51.22 H new ATOM 0 HG22 ILE A 25 18.572 -15.628 -3.760 1.00 51.22 H new ATOM 0 HG23 ILE A 25 16.854 -15.952 -4.089 1.00 51.22 H new ATOM 0 HD11 ILE A 25 14.095 -17.050 -1.909 1.00 73.05 H new ATOM 0 HD12 ILE A 25 14.996 -16.369 -3.285 1.00 73.05 H new ATOM 0 HD13 ILE A 25 15.232 -18.071 -2.821 1.00 73.05 H new ATOM 379 N GLN A 26 19.564 -18.082 -4.443 1.00 21.23 N ATOM 380 CA GLN A 26 20.910 -18.090 -5.004 1.00 72.20 C ATOM 381 C GLN A 26 21.357 -16.678 -5.365 1.00 4.42 C ATOM 382 O GLN A 26 22.553 -16.395 -5.436 1.00 11.11 O ATOM 383 CB GLN A 26 20.963 -18.987 -6.242 1.00 45.22 C ATOM 384 CG GLN A 26 20.831 -20.468 -5.927 1.00 1.00 C ATOM 385 CD GLN A 26 19.647 -21.109 -6.623 1.00 72.20 C ATOM 386 OE1 GLN A 26 19.812 -21.914 -7.540 1.00 42.13 O ATOM 387 NE2 GLN A 26 18.442 -20.756 -6.190 1.00 4.44 N ATOM 0 H GLN A 26 18.817 -18.091 -5.137 1.00 21.23 H new ATOM 0 HA GLN A 26 21.590 -18.484 -4.249 1.00 72.20 H new ATOM 0 HB2 GLN A 26 20.165 -18.697 -6.925 1.00 45.22 H new ATOM 0 HB3 GLN A 26 21.905 -18.818 -6.763 1.00 45.22 H new ATOM 0 HG2 GLN A 26 21.745 -20.982 -6.225 1.00 1.00 H new ATOM 0 HG3 GLN A 26 20.729 -20.599 -4.850 1.00 1.00 H new ATOM 0 HE21 GLN A 26 18.351 -20.085 -5.427 1.00 4.44 H new ATOM 0 HE22 GLN A 26 17.608 -21.156 -6.620 1.00 4.44 H new ATOM 396 N GLU A 27 20.389 -15.795 -5.592 1.00 25.12 N ATOM 397 CA GLU A 27 20.685 -14.412 -5.947 1.00 4.04 C ATOM 398 C GLU A 27 20.195 -13.456 -4.863 1.00 44.41 C ATOM 399 O GLU A 27 19.819 -13.878 -3.770 1.00 31.51 O ATOM 400 CB GLU A 27 20.039 -14.056 -7.287 1.00 34.32 C ATOM 401 CG GLU A 27 20.215 -15.126 -8.351 1.00 65.30 C ATOM 402 CD GLU A 27 21.668 -15.334 -8.734 1.00 30.14 C ATOM 403 OE1 GLU A 27 22.351 -14.332 -9.032 1.00 63.33 O ATOM 404 OE2 GLU A 27 22.121 -16.498 -8.735 1.00 2.44 O ATOM 0 H GLU A 27 19.394 -16.013 -5.536 1.00 25.12 H new ATOM 0 HA GLU A 27 21.767 -14.310 -6.036 1.00 4.04 H new ATOM 0 HB2 GLU A 27 18.974 -13.881 -7.132 1.00 34.32 H new ATOM 0 HB3 GLU A 27 20.466 -13.121 -7.650 1.00 34.32 H new ATOM 0 HG2 GLU A 27 19.801 -16.066 -7.987 1.00 65.30 H new ATOM 0 HG3 GLU A 27 19.645 -14.848 -9.238 1.00 65.30 H new ATOM 411 N VAL A 28 20.204 -12.163 -5.175 1.00 32.43 N ATOM 412 CA VAL A 28 19.760 -11.146 -4.229 1.00 61.12 C ATOM 413 C VAL A 28 18.500 -10.447 -4.726 1.00 12.52 C ATOM 414 O VAL A 28 18.420 -10.034 -5.884 1.00 34.35 O ATOM 415 CB VAL A 28 20.856 -10.092 -3.983 1.00 60.14 C ATOM 416 CG1 VAL A 28 20.562 -9.301 -2.718 1.00 24.44 C ATOM 417 CG2 VAL A 28 22.223 -10.754 -3.903 1.00 61.50 C ATOM 0 H VAL A 28 20.514 -11.796 -6.075 1.00 32.43 H new ATOM 0 HA VAL A 28 19.542 -11.658 -3.292 1.00 61.12 H new ATOM 0 HB VAL A 28 20.863 -9.397 -4.823 1.00 60.14 H new ATOM 0 HG11 VAL A 28 21.347 -8.561 -2.561 1.00 24.44 H new ATOM 0 HG12 VAL A 28 19.602 -8.795 -2.820 1.00 24.44 H new ATOM 0 HG13 VAL A 28 20.526 -9.979 -1.865 1.00 24.44 H new ATOM 0 HG21 VAL A 28 22.985 -9.995 -3.729 1.00 61.50 H new ATOM 0 HG22 VAL A 28 22.232 -11.472 -3.083 1.00 61.50 H new ATOM 0 HG23 VAL A 28 22.433 -11.270 -4.840 1.00 61.50 H new ATOM 427 N THR A 29 17.515 -10.315 -3.842 1.00 43.21 N ATOM 428 CA THR A 29 16.258 -9.666 -4.190 1.00 52.40 C ATOM 429 C THR A 29 16.007 -8.446 -3.311 1.00 0.31 C ATOM 430 O THR A 29 15.117 -7.643 -3.588 1.00 52.33 O ATOM 431 CB THR A 29 15.069 -10.635 -4.054 1.00 74.23 C ATOM 432 OG1 THR A 29 13.838 -9.935 -4.271 1.00 64.11 O ATOM 433 CG2 THR A 29 15.053 -11.283 -2.678 1.00 63.52 C ATOM 0 H THR A 29 17.565 -10.649 -2.880 1.00 43.21 H new ATOM 0 HA THR A 29 16.343 -9.350 -5.230 1.00 52.40 H new ATOM 0 HB THR A 29 15.179 -11.417 -4.805 1.00 74.23 H new ATOM 0 HG1 THR A 29 13.964 -8.983 -4.075 1.00 64.11 H new ATOM 0 HG21 THR A 29 14.204 -11.963 -2.606 1.00 63.52 H new ATOM 0 HG22 THR A 29 15.978 -11.840 -2.527 1.00 63.52 H new ATOM 0 HG23 THR A 29 14.965 -10.511 -1.913 1.00 63.52 H new ATOM 441 N GLN A 30 16.798 -8.313 -2.251 1.00 32.41 N ATOM 442 CA GLN A 30 16.660 -7.190 -1.331 1.00 63.23 C ATOM 443 C GLN A 30 17.434 -5.976 -1.835 1.00 72.23 C ATOM 444 O GLN A 30 17.503 -4.947 -1.162 1.00 64.14 O ATOM 445 CB GLN A 30 17.154 -7.582 0.063 1.00 50.44 C ATOM 446 CG GLN A 30 16.150 -8.403 0.855 1.00 13.54 C ATOM 447 CD GLN A 30 16.081 -9.845 0.394 1.00 51.13 C ATOM 448 OE1 GLN A 30 15.002 -10.368 0.113 1.00 62.11 O ATOM 449 NE2 GLN A 30 17.235 -10.496 0.312 1.00 21.44 N ATOM 0 H GLN A 30 17.541 -8.969 -2.008 1.00 32.41 H new ATOM 0 HA GLN A 30 15.604 -6.927 -1.274 1.00 63.23 H new ATOM 0 HB2 GLN A 30 18.079 -8.150 -0.035 1.00 50.44 H new ATOM 0 HB3 GLN A 30 17.393 -6.678 0.622 1.00 50.44 H new ATOM 0 HG2 GLN A 30 16.417 -8.376 1.911 1.00 13.54 H new ATOM 0 HG3 GLN A 30 15.163 -7.949 0.764 1.00 13.54 H new ATOM 0 HE21 GLN A 30 18.106 -10.023 0.555 1.00 21.44 H new ATOM 0 HE22 GLN A 30 17.251 -11.469 0.006 1.00 21.44 H new ATOM 458 N THR A 31 18.015 -6.103 -3.024 1.00 42.22 N ATOM 459 CA THR A 31 18.785 -5.017 -3.618 1.00 21.11 C ATOM 460 C THR A 31 18.081 -4.451 -4.846 1.00 12.14 C ATOM 461 O THR A 31 18.696 -3.771 -5.668 1.00 32.51 O ATOM 462 CB THR A 31 20.197 -5.484 -4.020 1.00 11.02 C ATOM 463 OG1 THR A 31 20.147 -6.829 -4.509 1.00 5.11 O ATOM 464 CG2 THR A 31 21.150 -5.404 -2.837 1.00 45.32 C ATOM 0 H THR A 31 17.967 -6.947 -3.595 1.00 42.22 H new ATOM 0 HA THR A 31 18.870 -4.238 -2.860 1.00 21.11 H new ATOM 0 HB THR A 31 20.564 -4.825 -4.807 1.00 11.02 H new ATOM 0 HG1 THR A 31 21.048 -7.118 -4.764 1.00 5.11 H new ATOM 0 HG21 THR A 31 22.141 -5.739 -3.145 1.00 45.32 H new ATOM 0 HG22 THR A 31 21.208 -4.374 -2.485 1.00 45.32 H new ATOM 0 HG23 THR A 31 20.785 -6.042 -2.032 1.00 45.32 H new ATOM 472 N TYR A 32 16.788 -4.734 -4.963 1.00 64.24 N ATOM 473 CA TYR A 32 16.001 -4.254 -6.093 1.00 34.15 C ATOM 474 C TYR A 32 14.829 -3.401 -5.616 1.00 33.51 C ATOM 475 O TYR A 32 14.261 -3.644 -4.550 1.00 40.12 O ATOM 476 CB TYR A 32 15.485 -5.433 -6.919 1.00 71.15 C ATOM 477 CG TYR A 32 15.749 -5.295 -8.402 1.00 2.43 C ATOM 478 CD1 TYR A 32 14.875 -4.590 -9.220 1.00 71.13 C ATOM 479 CD2 TYR A 32 16.872 -5.869 -8.984 1.00 4.11 C ATOM 480 CE1 TYR A 32 15.112 -4.461 -10.575 1.00 72.52 C ATOM 481 CE2 TYR A 32 17.118 -5.744 -10.338 1.00 21.14 C ATOM 482 CZ TYR A 32 16.235 -5.040 -11.129 1.00 11.20 C ATOM 483 OH TYR A 32 16.475 -4.914 -12.478 1.00 63.51 O ATOM 0 H TYR A 32 16.263 -5.293 -4.290 1.00 64.24 H new ATOM 0 HA TYR A 32 16.647 -3.637 -6.718 1.00 34.15 H new ATOM 0 HB2 TYR A 32 15.952 -6.350 -6.559 1.00 71.15 H new ATOM 0 HB3 TYR A 32 14.412 -5.537 -6.758 1.00 71.15 H new ATOM 0 HD1 TYR A 32 13.995 -4.135 -8.789 1.00 71.13 H new ATOM 0 HD2 TYR A 32 17.565 -6.423 -8.368 1.00 4.11 H new ATOM 0 HE1 TYR A 32 14.422 -3.910 -11.197 1.00 72.52 H new ATOM 0 HE2 TYR A 32 17.997 -6.195 -10.774 1.00 21.14 H new ATOM 0 HH TYR A 32 17.307 -5.378 -12.707 1.00 63.51 H new ATOM 493 N THR A 33 14.470 -2.401 -6.414 1.00 43.51 N ATOM 494 CA THR A 33 13.367 -1.510 -6.076 1.00 30.54 C ATOM 495 C THR A 33 12.854 -0.777 -7.310 1.00 33.25 C ATOM 496 O THR A 33 13.549 -0.679 -8.320 1.00 21.53 O ATOM 497 CB THR A 33 13.785 -0.475 -5.014 1.00 65.44 C ATOM 498 OG1 THR A 33 14.607 -1.098 -4.020 1.00 51.23 O ATOM 499 CG2 THR A 33 12.564 0.146 -4.354 1.00 3.32 C ATOM 0 H THR A 33 14.928 -2.187 -7.300 1.00 43.51 H new ATOM 0 HA THR A 33 12.570 -2.134 -5.670 1.00 30.54 H new ATOM 0 HB THR A 33 14.350 0.314 -5.510 1.00 65.44 H new ATOM 0 HG1 THR A 33 15.497 -0.688 -4.027 1.00 51.23 H new ATOM 0 HG21 THR A 33 12.884 0.873 -3.608 1.00 3.32 H new ATOM 0 HG22 THR A 33 11.956 0.644 -5.109 1.00 3.32 H new ATOM 0 HG23 THR A 33 11.975 -0.634 -3.871 1.00 3.32 H new ATOM 507 N GLY A 34 11.631 -0.262 -7.220 1.00 41.04 N ATOM 508 CA GLY A 34 11.046 0.457 -8.337 1.00 71.21 C ATOM 509 C GLY A 34 9.626 0.906 -8.057 1.00 13.42 C ATOM 510 O GLY A 34 9.156 1.893 -8.624 1.00 4.23 O ATOM 0 H GLY A 34 11.036 -0.330 -6.394 1.00 41.04 H new ATOM 0 HA2 GLY A 34 11.660 1.328 -8.567 1.00 71.21 H new ATOM 0 HA3 GLY A 34 11.054 -0.181 -9.221 1.00 71.21 H new ATOM 514 N SER A 35 8.939 0.180 -7.181 1.00 14.11 N ATOM 515 CA SER A 35 7.561 0.507 -6.831 1.00 22.53 C ATOM 516 C SER A 35 7.492 1.164 -5.456 1.00 14.51 C ATOM 517 O SER A 35 8.068 0.669 -4.489 1.00 4.11 O ATOM 518 CB SER A 35 6.695 -0.755 -6.850 1.00 3.45 C ATOM 519 OG SER A 35 7.116 -1.647 -7.867 1.00 0.02 O ATOM 0 H SER A 35 9.313 -0.638 -6.701 1.00 14.11 H new ATOM 0 HA SER A 35 7.181 1.211 -7.571 1.00 22.53 H new ATOM 0 HB2 SER A 35 6.749 -1.252 -5.881 1.00 3.45 H new ATOM 0 HB3 SER A 35 5.652 -0.482 -7.010 1.00 3.45 H new ATOM 0 HG SER A 35 6.342 -1.924 -8.400 1.00 0.02 H new ATOM 525 N ASN A 36 6.780 2.285 -5.378 1.00 64.43 N ATOM 526 CA ASN A 36 6.635 3.012 -4.123 1.00 10.13 C ATOM 527 C ASN A 36 7.996 3.278 -3.487 1.00 43.23 C ATOM 528 O ASN A 36 8.116 3.366 -2.266 1.00 45.52 O ATOM 529 CB ASN A 36 5.752 2.225 -3.152 1.00 72.05 C ATOM 530 CG ASN A 36 4.275 2.380 -3.459 1.00 72.14 C ATOM 531 OD1 ASN A 36 3.587 3.204 -2.857 1.00 3.35 O ATOM 532 ND2 ASN A 36 3.780 1.585 -4.401 1.00 51.32 N ATOM 0 H ASN A 36 6.295 2.708 -6.169 1.00 64.43 H new ATOM 0 HA ASN A 36 6.162 3.970 -4.340 1.00 10.13 H new ATOM 0 HB2 ASN A 36 6.020 1.169 -3.195 1.00 72.05 H new ATOM 0 HB3 ASN A 36 5.946 2.562 -2.134 1.00 72.05 H new ATOM 0 HD21 ASN A 36 2.793 1.644 -4.651 1.00 51.32 H new ATOM 0 HD22 ASN A 36 4.387 0.916 -4.875 1.00 51.32 H new ATOM 539 N GLY A 37 9.020 3.406 -4.326 1.00 62.30 N ATOM 540 CA GLY A 37 10.359 3.661 -3.828 1.00 63.14 C ATOM 541 C GLY A 37 11.292 4.173 -4.909 1.00 35.34 C ATOM 542 O GLY A 37 11.722 5.325 -4.873 1.00 35.33 O ATOM 0 H GLY A 37 8.946 3.338 -5.341 1.00 62.30 H new ATOM 0 HA2 GLY A 37 10.310 4.390 -3.019 1.00 63.14 H new ATOM 0 HA3 GLY A 37 10.767 2.743 -3.405 1.00 63.14 H new ATOM 546 N GLY A 38 11.606 3.313 -5.873 1.00 25.23 N ATOM 547 CA GLY A 38 12.493 3.702 -6.953 1.00 43.24 C ATOM 548 C GLY A 38 13.931 3.851 -6.498 1.00 4.50 C ATOM 549 O GLY A 38 14.400 4.963 -6.253 1.00 72.22 O ATOM 0 H GLY A 38 11.262 2.354 -5.925 1.00 25.23 H new ATOM 0 HA2 GLY A 38 12.442 2.957 -7.747 1.00 43.24 H new ATOM 0 HA3 GLY A 38 12.150 4.645 -7.378 1.00 43.24 H new ATOM 553 N ALA A 39 14.633 2.729 -6.382 1.00 64.14 N ATOM 554 CA ALA A 39 16.026 2.740 -5.953 1.00 64.25 C ATOM 555 C ALA A 39 16.594 1.326 -5.895 1.00 32.44 C ATOM 556 O ALA A 39 16.777 0.764 -4.814 1.00 53.52 O ATOM 557 CB ALA A 39 16.156 3.419 -4.598 1.00 41.54 C ATOM 0 H ALA A 39 14.260 1.800 -6.579 1.00 64.14 H new ATOM 0 HA ALA A 39 16.601 3.305 -6.687 1.00 64.25 H new ATOM 0 HB1 ALA A 39 17.202 3.420 -4.290 1.00 41.54 H new ATOM 0 HB2 ALA A 39 15.798 4.446 -4.670 1.00 41.54 H new ATOM 0 HB3 ALA A 39 15.562 2.878 -3.862 1.00 41.54 H new ATOM 563 N ASP A 40 16.870 0.755 -7.062 1.00 35.20 N ATOM 564 CA ASP A 40 17.417 -0.595 -7.143 1.00 54.51 C ATOM 565 C ASP A 40 18.933 -0.577 -6.974 1.00 34.32 C ATOM 566 O ASP A 40 19.659 -0.077 -7.834 1.00 75.33 O ATOM 567 CB ASP A 40 17.048 -1.238 -8.481 1.00 14.13 C ATOM 568 CG ASP A 40 17.602 -0.470 -9.665 1.00 33.32 C ATOM 569 OD1 ASP A 40 16.989 0.547 -10.052 1.00 72.23 O ATOM 570 OD2 ASP A 40 18.649 -0.886 -10.203 1.00 53.14 O ATOM 0 H ASP A 40 16.724 1.206 -7.965 1.00 35.20 H new ATOM 0 HA ASP A 40 16.986 -1.185 -6.334 1.00 54.51 H new ATOM 0 HB2 ASP A 40 17.426 -2.260 -8.506 1.00 14.13 H new ATOM 0 HB3 ASP A 40 15.963 -1.297 -8.565 1.00 14.13 H new ATOM 575 N LEU A 41 19.404 -1.125 -5.859 1.00 65.24 N ATOM 576 CA LEU A 41 20.835 -1.172 -5.576 1.00 72.21 C ATOM 577 C LEU A 41 21.105 -1.883 -4.254 1.00 11.33 C ATOM 578 O LEU A 41 20.215 -2.513 -3.684 1.00 30.24 O ATOM 579 CB LEU A 41 21.413 0.243 -5.535 1.00 44.32 C ATOM 580 CG LEU A 41 22.791 0.424 -6.173 1.00 23.21 C ATOM 581 CD1 LEU A 41 22.679 1.203 -7.474 1.00 4.10 C ATOM 582 CD2 LEU A 41 23.737 1.125 -5.209 1.00 25.31 C ATOM 0 H LEU A 41 18.817 -1.543 -5.137 1.00 65.24 H new ATOM 0 HA LEU A 41 21.321 -1.733 -6.375 1.00 72.21 H new ATOM 0 HB2 LEU A 41 20.713 0.914 -6.033 1.00 44.32 H new ATOM 0 HB3 LEU A 41 21.472 0.560 -4.494 1.00 44.32 H new ATOM 0 HG LEU A 41 23.198 -0.562 -6.398 1.00 23.21 H new ATOM 0 HD11 LEU A 41 23.669 1.322 -7.913 1.00 4.10 H new ATOM 0 HD12 LEU A 41 22.037 0.661 -8.168 1.00 4.10 H new ATOM 0 HD13 LEU A 41 22.250 2.185 -7.274 1.00 4.10 H new ATOM 0 HD21 LEU A 41 24.713 1.245 -5.680 1.00 25.31 H new ATOM 0 HD22 LEU A 41 23.335 2.105 -4.952 1.00 25.31 H new ATOM 0 HD23 LEU A 41 23.842 0.528 -4.303 1.00 25.31 H new ATOM 594 N MET A 42 22.338 -1.774 -3.771 1.00 22.04 N ATOM 595 CA MET A 42 22.724 -2.404 -2.513 1.00 42.51 C ATOM 596 C MET A 42 23.047 -1.353 -1.456 1.00 14.44 C ATOM 597 O MET A 42 23.916 -0.505 -1.654 1.00 23.34 O ATOM 598 CB MET A 42 23.932 -3.318 -2.725 1.00 44.34 C ATOM 599 CG MET A 42 24.182 -4.273 -1.570 1.00 3.24 C ATOM 600 SD MET A 42 25.907 -4.785 -1.453 1.00 21.25 S ATOM 601 CE MET A 42 25.825 -6.419 -2.183 1.00 3.32 C ATOM 0 H MET A 42 23.087 -1.256 -4.231 1.00 22.04 H new ATOM 0 HA MET A 42 21.883 -3.001 -2.162 1.00 42.51 H new ATOM 0 HB2 MET A 42 23.784 -3.895 -3.638 1.00 44.34 H new ATOM 0 HB3 MET A 42 24.820 -2.704 -2.876 1.00 44.34 H new ATOM 0 HG2 MET A 42 23.885 -3.794 -0.637 1.00 3.24 H new ATOM 0 HG3 MET A 42 23.553 -5.155 -1.690 1.00 3.24 H new ATOM 0 HE1 MET A 42 26.818 -6.868 -2.183 1.00 3.32 H new ATOM 0 HE2 MET A 42 25.145 -7.043 -1.603 1.00 3.32 H new ATOM 0 HE3 MET A 42 25.462 -6.342 -3.208 1.00 3.32 H new ATOM 611 N GLY A 43 22.339 -1.414 -0.331 1.00 42.13 N ATOM 612 CA GLY A 43 22.565 -0.461 0.740 1.00 20.51 C ATOM 613 C GLY A 43 21.924 -0.893 2.044 1.00 21.12 C ATOM 614 O GLY A 43 22.595 -1.358 2.966 1.00 34.40 O ATOM 0 H GLY A 43 21.614 -2.106 -0.143 1.00 42.13 H new ATOM 0 HA2 GLY A 43 23.637 -0.335 0.890 1.00 20.51 H new ATOM 0 HA3 GLY A 43 22.167 0.511 0.448 1.00 20.51 H new ATOM 618 N PRO A 44 20.595 -0.738 2.135 1.00 71.14 N ATOM 619 CA PRO A 44 19.834 -1.108 3.332 1.00 64.32 C ATOM 620 C PRO A 44 19.770 -2.618 3.534 1.00 25.31 C ATOM 621 O PRO A 44 19.569 -3.097 4.650 1.00 44.50 O ATOM 622 CB PRO A 44 18.438 -0.547 3.053 1.00 40.42 C ATOM 623 CG PRO A 44 18.343 -0.489 1.567 1.00 11.42 C ATOM 624 CD PRO A 44 19.732 -0.190 1.075 1.00 50.13 C ATOM 0 HA PRO A 44 20.291 -0.718 4.242 1.00 64.32 H new ATOM 0 HB2 PRO A 44 17.663 -1.187 3.475 1.00 40.42 H new ATOM 0 HB3 PRO A 44 18.312 0.441 3.497 1.00 40.42 H new ATOM 0 HG2 PRO A 44 17.980 -1.434 1.162 1.00 11.42 H new ATOM 0 HG3 PRO A 44 17.642 0.283 1.251 1.00 11.42 H new ATOM 0 HD2 PRO A 44 19.928 -0.663 0.113 1.00 50.13 H new ATOM 0 HD3 PRO A 44 19.889 0.880 0.942 1.00 50.13 H new ATOM 632 N ALA A 45 19.943 -3.364 2.448 1.00 63.03 N ATOM 633 CA ALA A 45 19.908 -4.820 2.507 1.00 73.01 C ATOM 634 C ALA A 45 21.229 -5.381 3.021 1.00 1.05 C ATOM 635 O ALA A 45 21.254 -6.390 3.726 1.00 62.41 O ATOM 636 CB ALA A 45 19.586 -5.396 1.136 1.00 35.31 C ATOM 0 H ALA A 45 20.109 -2.984 1.516 1.00 63.03 H new ATOM 0 HA ALA A 45 19.124 -5.112 3.205 1.00 73.01 H new ATOM 0 HB1 ALA A 45 19.563 -6.484 1.195 1.00 35.31 H new ATOM 0 HB2 ALA A 45 18.614 -5.030 0.807 1.00 35.31 H new ATOM 0 HB3 ALA A 45 20.350 -5.087 0.423 1.00 35.31 H new ATOM 642 N PHE A 46 22.326 -4.721 2.665 1.00 52.24 N ATOM 643 CA PHE A 46 23.652 -5.155 3.089 1.00 14.01 C ATOM 644 C PHE A 46 23.811 -5.018 4.601 1.00 73.24 C ATOM 645 O PHE A 46 24.676 -5.652 5.204 1.00 13.12 O ATOM 646 CB PHE A 46 24.732 -4.339 2.375 1.00 35.14 C ATOM 647 CG PHE A 46 26.106 -4.935 2.489 1.00 53.24 C ATOM 648 CD1 PHE A 46 26.319 -6.275 2.210 1.00 63.01 C ATOM 649 CD2 PHE A 46 27.184 -4.154 2.874 1.00 33.43 C ATOM 650 CE1 PHE A 46 27.583 -6.826 2.313 1.00 73.33 C ATOM 651 CE2 PHE A 46 28.449 -4.700 2.978 1.00 3.14 C ATOM 652 CZ PHE A 46 28.649 -6.038 2.698 1.00 11.35 C ATOM 0 H PHE A 46 22.323 -3.883 2.084 1.00 52.24 H new ATOM 0 HA PHE A 46 23.766 -6.206 2.823 1.00 14.01 H new ATOM 0 HB2 PHE A 46 24.470 -4.248 1.321 1.00 35.14 H new ATOM 0 HB3 PHE A 46 24.747 -3.330 2.788 1.00 35.14 H new ATOM 0 HD1 PHE A 46 25.489 -6.896 1.909 1.00 63.01 H new ATOM 0 HD2 PHE A 46 27.034 -3.108 3.095 1.00 33.43 H new ATOM 0 HE1 PHE A 46 27.736 -7.872 2.092 1.00 73.33 H new ATOM 0 HE2 PHE A 46 29.281 -4.081 3.278 1.00 3.14 H new ATOM 0 HZ PHE A 46 29.637 -6.466 2.780 1.00 11.35 H new ATOM 662 N ALA A 47 22.969 -4.186 5.205 1.00 5.40 N ATOM 663 CA ALA A 47 23.015 -3.966 6.645 1.00 10.03 C ATOM 664 C ALA A 47 22.451 -5.164 7.401 1.00 30.14 C ATOM 665 O ALA A 47 22.799 -5.400 8.558 1.00 12.20 O ATOM 666 CB ALA A 47 22.251 -2.702 7.011 1.00 44.32 C ATOM 0 H ALA A 47 22.247 -3.653 4.720 1.00 5.40 H new ATOM 0 HA ALA A 47 24.058 -3.844 6.936 1.00 10.03 H new ATOM 0 HB1 ALA A 47 22.294 -2.550 8.090 1.00 44.32 H new ATOM 0 HB2 ALA A 47 22.700 -1.847 6.506 1.00 44.32 H new ATOM 0 HB3 ALA A 47 21.211 -2.802 6.700 1.00 44.32 H new ATOM 672 N ALA A 48 21.578 -5.918 6.741 1.00 41.55 N ATOM 673 CA ALA A 48 20.967 -7.092 7.350 1.00 21.03 C ATOM 674 C ALA A 48 21.822 -8.335 7.126 1.00 41.42 C ATOM 675 O ALA A 48 21.729 -9.308 7.873 1.00 53.41 O ATOM 676 CB ALA A 48 19.566 -7.306 6.796 1.00 2.24 C ATOM 0 H ALA A 48 21.278 -5.736 5.783 1.00 41.55 H new ATOM 0 HA ALA A 48 20.898 -6.919 8.424 1.00 21.03 H new ATOM 0 HB1 ALA A 48 19.122 -8.187 7.260 1.00 2.24 H new ATOM 0 HB2 ALA A 48 18.951 -6.432 7.013 1.00 2.24 H new ATOM 0 HB3 ALA A 48 19.620 -7.453 5.717 1.00 2.24 H new ATOM 682 N GLY A 49 22.655 -8.295 6.090 1.00 25.15 N ATOM 683 CA GLY A 49 23.514 -9.425 5.786 1.00 43.41 C ATOM 684 C GLY A 49 22.938 -10.316 4.704 1.00 34.33 C ATOM 685 O GLY A 49 23.379 -11.452 4.525 1.00 35.53 O ATOM 0 H GLY A 49 22.750 -7.501 5.457 1.00 25.15 H new ATOM 0 HA2 GLY A 49 24.491 -9.060 5.470 1.00 43.41 H new ATOM 0 HA3 GLY A 49 23.671 -10.012 6.691 1.00 43.41 H new ATOM 689 N LEU A 50 21.948 -9.803 3.982 1.00 42.12 N ATOM 690 CA LEU A 50 21.308 -10.561 2.912 1.00 23.24 C ATOM 691 C LEU A 50 22.268 -10.773 1.746 1.00 71.32 C ATOM 692 O LEU A 50 22.632 -9.826 1.049 1.00 61.23 O ATOM 693 CB LEU A 50 20.051 -9.837 2.428 1.00 2.42 C ATOM 694 CG LEU A 50 19.015 -9.500 3.501 1.00 22.13 C ATOM 695 CD1 LEU A 50 18.550 -8.059 3.361 1.00 4.12 C ATOM 696 CD2 LEU A 50 17.833 -10.454 3.419 1.00 74.22 C ATOM 0 H LEU A 50 21.571 -8.865 4.118 1.00 42.12 H new ATOM 0 HA LEU A 50 21.027 -11.536 3.309 1.00 23.24 H new ATOM 0 HB2 LEU A 50 20.355 -8.910 1.941 1.00 2.42 H new ATOM 0 HB3 LEU A 50 19.571 -10.454 1.669 1.00 2.42 H new ATOM 0 HG LEU A 50 19.483 -9.615 4.479 1.00 22.13 H new ATOM 0 HD11 LEU A 50 17.813 -7.838 4.133 1.00 4.12 H new ATOM 0 HD12 LEU A 50 19.403 -7.389 3.471 1.00 4.12 H new ATOM 0 HD13 LEU A 50 18.100 -7.916 2.379 1.00 4.12 H new ATOM 0 HD21 LEU A 50 17.106 -10.199 4.190 1.00 74.22 H new ATOM 0 HD22 LEU A 50 17.366 -10.371 2.438 1.00 74.22 H new ATOM 0 HD23 LEU A 50 18.179 -11.476 3.571 1.00 74.22 H new ATOM 708 N ARG A 51 22.672 -12.022 1.538 1.00 21.34 N ATOM 709 CA ARG A 51 23.588 -12.359 0.456 1.00 44.15 C ATOM 710 C ARG A 51 23.226 -13.705 -0.165 1.00 21.13 C ATOM 711 O ARG A 51 22.437 -14.466 0.395 1.00 21.44 O ATOM 712 CB ARG A 51 25.029 -12.393 0.970 1.00 73.41 C ATOM 713 CG ARG A 51 25.887 -11.249 0.456 1.00 53.12 C ATOM 714 CD ARG A 51 27.276 -11.727 0.063 1.00 12.10 C ATOM 715 NE ARG A 51 28.312 -10.771 0.444 1.00 12.25 N ATOM 716 CZ ARG A 51 29.554 -10.807 -0.025 1.00 10.02 C ATOM 717 NH1 ARG A 51 29.913 -11.746 -0.889 1.00 74.40 N ATOM 718 NH2 ARG A 51 30.440 -9.902 0.370 1.00 42.32 N ATOM 0 H ARG A 51 22.379 -12.817 2.105 1.00 21.34 H new ATOM 0 HA ARG A 51 23.501 -11.590 -0.311 1.00 44.15 H new ATOM 0 HB2 ARG A 51 25.018 -12.366 2.060 1.00 73.41 H new ATOM 0 HB3 ARG A 51 25.487 -13.338 0.679 1.00 73.41 H new ATOM 0 HG2 ARG A 51 25.403 -10.788 -0.405 1.00 53.12 H new ATOM 0 HG3 ARG A 51 25.969 -10.481 1.225 1.00 53.12 H new ATOM 0 HD2 ARG A 51 27.477 -12.687 0.538 1.00 12.10 H new ATOM 0 HD3 ARG A 51 27.312 -11.890 -1.014 1.00 12.10 H new ATOM 0 HE ARG A 51 28.068 -10.035 1.107 1.00 12.25 H new ATOM 0 HH11 ARG A 51 29.235 -12.443 -1.195 1.00 74.40 H new ATOM 0 HH12 ARG A 51 30.868 -11.771 -1.247 1.00 74.40 H new ATOM 0 HH21 ARG A 51 30.168 -9.178 1.035 1.00 42.32 H new ATOM 0 HH22 ARG A 51 31.394 -9.931 0.009 1.00 42.32 H new ATOM 732 N VAL A 52 23.807 -13.992 -1.325 1.00 65.01 N ATOM 733 CA VAL A 52 23.547 -15.246 -2.021 1.00 73.15 C ATOM 734 C VAL A 52 23.838 -16.444 -1.124 1.00 42.24 C ATOM 735 O VAL A 52 24.898 -16.526 -0.506 1.00 3.24 O ATOM 736 CB VAL A 52 24.391 -15.362 -3.304 1.00 42.04 C ATOM 737 CG1 VAL A 52 24.064 -14.228 -4.264 1.00 13.24 C ATOM 738 CG2 VAL A 52 25.874 -15.374 -2.966 1.00 43.21 C ATOM 0 H VAL A 52 24.461 -13.373 -1.803 1.00 65.01 H new ATOM 0 HA VAL A 52 22.490 -15.245 -2.289 1.00 73.15 H new ATOM 0 HB VAL A 52 24.145 -16.303 -3.795 1.00 42.04 H new ATOM 0 HG11 VAL A 52 24.670 -14.327 -5.164 1.00 13.24 H new ATOM 0 HG12 VAL A 52 23.008 -14.270 -4.531 1.00 13.24 H new ATOM 0 HG13 VAL A 52 24.279 -13.273 -3.785 1.00 13.24 H new ATOM 0 HG21 VAL A 52 26.456 -15.456 -3.884 1.00 43.21 H new ATOM 0 HG22 VAL A 52 26.137 -14.450 -2.451 1.00 43.21 H new ATOM 0 HG23 VAL A 52 26.093 -16.224 -2.320 1.00 43.21 H new ATOM 748 N GLY A 53 22.889 -17.373 -1.059 1.00 51.41 N ATOM 749 CA GLY A 53 23.063 -18.555 -0.235 1.00 51.43 C ATOM 750 C GLY A 53 22.063 -18.621 0.902 1.00 3.33 C ATOM 751 O GLY A 53 21.561 -19.694 1.235 1.00 71.45 O ATOM 0 H GLY A 53 22.003 -17.328 -1.562 1.00 51.41 H new ATOM 0 HA2 GLY A 53 22.962 -19.445 -0.856 1.00 51.43 H new ATOM 0 HA3 GLY A 53 24.074 -18.564 0.173 1.00 51.43 H new ATOM 755 N ASP A 54 21.775 -17.471 1.502 1.00 40.11 N ATOM 756 CA ASP A 54 20.829 -17.402 2.610 1.00 62.33 C ATOM 757 C ASP A 54 19.418 -17.745 2.142 1.00 63.14 C ATOM 758 O ASP A 54 19.062 -17.505 0.988 1.00 21.43 O ATOM 759 CB ASP A 54 20.847 -16.008 3.238 1.00 52.12 C ATOM 760 CG ASP A 54 21.728 -15.939 4.470 1.00 54.02 C ATOM 761 OD1 ASP A 54 22.750 -15.222 4.429 1.00 31.34 O ATOM 762 OD2 ASP A 54 21.394 -16.601 5.475 1.00 43.13 O ATOM 0 H ASP A 54 22.183 -16.574 1.240 1.00 40.11 H new ATOM 0 HA ASP A 54 21.131 -18.133 3.360 1.00 62.33 H new ATOM 0 HB2 ASP A 54 21.200 -15.286 2.502 1.00 52.12 H new ATOM 0 HB3 ASP A 54 19.830 -15.720 3.505 1.00 52.12 H new ATOM 767 N GLN A 55 18.621 -18.308 3.044 1.00 2.21 N ATOM 768 CA GLN A 55 17.250 -18.685 2.722 1.00 20.02 C ATOM 769 C GLN A 55 16.258 -17.693 3.320 1.00 51.23 C ATOM 770 O GLN A 55 16.461 -17.183 4.422 1.00 22.05 O ATOM 771 CB GLN A 55 16.952 -20.095 3.237 1.00 43.54 C ATOM 772 CG GLN A 55 17.917 -21.148 2.717 1.00 23.13 C ATOM 773 CD GLN A 55 17.305 -22.535 2.684 1.00 1.43 C ATOM 774 OE1 GLN A 55 16.732 -22.949 1.676 1.00 22.03 O ATOM 775 NE2 GLN A 55 17.423 -23.261 3.790 1.00 43.41 N ATOM 0 H GLN A 55 18.901 -18.513 4.003 1.00 2.21 H new ATOM 0 HA GLN A 55 17.141 -18.671 1.638 1.00 20.02 H new ATOM 0 HB2 GLN A 55 16.985 -20.090 4.326 1.00 43.54 H new ATOM 0 HB3 GLN A 55 15.937 -20.371 2.950 1.00 43.54 H new ATOM 0 HG2 GLN A 55 18.241 -20.874 1.713 1.00 23.13 H new ATOM 0 HG3 GLN A 55 18.807 -21.162 3.346 1.00 23.13 H new ATOM 0 HE21 GLN A 55 17.906 -22.878 4.602 1.00 43.41 H new ATOM 0 HE22 GLN A 55 17.030 -24.202 3.827 1.00 43.41 H new ATOM 784 N LEU A 56 15.184 -17.422 2.585 1.00 24.44 N ATOM 785 CA LEU A 56 14.160 -16.490 3.043 1.00 73.25 C ATOM 786 C LEU A 56 12.773 -17.120 2.955 1.00 10.51 C ATOM 787 O LEU A 56 12.323 -17.507 1.877 1.00 75.30 O ATOM 788 CB LEU A 56 14.203 -15.206 2.212 1.00 71.41 C ATOM 789 CG LEU A 56 15.494 -14.393 2.301 1.00 44.41 C ATOM 790 CD1 LEU A 56 16.559 -14.980 1.388 1.00 43.35 C ATOM 791 CD2 LEU A 56 15.232 -12.935 1.949 1.00 31.53 C ATOM 0 H LEU A 56 15.000 -17.834 1.670 1.00 24.44 H new ATOM 0 HA LEU A 56 14.364 -16.247 4.086 1.00 73.25 H new ATOM 0 HB2 LEU A 56 14.033 -15.467 1.167 1.00 71.41 H new ATOM 0 HB3 LEU A 56 13.374 -14.569 2.521 1.00 71.41 H new ATOM 0 HG LEU A 56 15.859 -14.439 3.327 1.00 44.41 H new ATOM 0 HD11 LEU A 56 17.471 -14.388 1.465 1.00 43.35 H new ATOM 0 HD12 LEU A 56 16.767 -16.008 1.686 1.00 43.35 H new ATOM 0 HD13 LEU A 56 16.203 -14.966 0.358 1.00 43.35 H new ATOM 0 HD21 LEU A 56 16.162 -12.371 2.018 1.00 31.53 H new ATOM 0 HD22 LEU A 56 14.843 -12.870 0.933 1.00 31.53 H new ATOM 0 HD23 LEU A 56 14.503 -12.518 2.644 1.00 31.53 H new ATOM 803 N VAL A 57 12.099 -17.216 4.097 1.00 43.00 N ATOM 804 CA VAL A 57 10.762 -17.795 4.149 1.00 2.12 C ATOM 805 C VAL A 57 9.740 -16.774 4.637 1.00 22.30 C ATOM 806 O VAL A 57 8.606 -16.740 4.160 1.00 52.11 O ATOM 807 CB VAL A 57 10.720 -19.028 5.071 1.00 22.11 C ATOM 808 CG1 VAL A 57 11.467 -20.193 4.439 1.00 1.14 C ATOM 809 CG2 VAL A 57 11.298 -18.691 6.437 1.00 22.43 C ATOM 0 H VAL A 57 12.457 -16.900 4.998 1.00 43.00 H new ATOM 0 HA VAL A 57 10.510 -18.101 3.134 1.00 2.12 H new ATOM 0 HB VAL A 57 9.680 -19.325 5.205 1.00 22.11 H new ATOM 0 HG11 VAL A 57 11.427 -21.055 5.105 1.00 1.14 H new ATOM 0 HG12 VAL A 57 11.004 -20.448 3.486 1.00 1.14 H new ATOM 0 HG13 VAL A 57 12.507 -19.911 4.273 1.00 1.14 H new ATOM 0 HG21 VAL A 57 11.261 -19.573 7.076 1.00 22.43 H new ATOM 0 HG22 VAL A 57 12.333 -18.368 6.325 1.00 22.43 H new ATOM 0 HG23 VAL A 57 10.715 -17.890 6.891 1.00 22.43 H new ATOM 819 N ARG A 58 10.150 -15.944 5.590 1.00 10.22 N ATOM 820 CA ARG A 58 9.270 -14.922 6.144 1.00 54.03 C ATOM 821 C ARG A 58 7.946 -15.532 6.596 1.00 52.43 C ATOM 822 O ARG A 58 6.906 -14.873 6.568 1.00 33.42 O ATOM 823 CB ARG A 58 9.011 -13.826 5.108 1.00 4.23 C ATOM 824 CG ARG A 58 8.831 -12.444 5.716 1.00 72.40 C ATOM 825 CD ARG A 58 7.360 -12.090 5.867 1.00 74.13 C ATOM 826 NE ARG A 58 6.975 -11.933 7.267 1.00 61.02 N ATOM 827 CZ ARG A 58 5.714 -11.894 7.683 1.00 41.34 C ATOM 828 NH1 ARG A 58 4.721 -12.000 6.810 1.00 3.13 N ATOM 829 NH2 ARG A 58 5.444 -11.748 8.974 1.00 62.43 N ATOM 0 H ARG A 58 11.086 -15.959 5.995 1.00 10.22 H new ATOM 0 HA ARG A 58 9.764 -14.484 7.011 1.00 54.03 H new ATOM 0 HB2 ARG A 58 9.843 -13.799 4.404 1.00 4.23 H new ATOM 0 HB3 ARG A 58 8.119 -14.081 4.536 1.00 4.23 H new ATOM 0 HG2 ARG A 58 9.317 -12.408 6.691 1.00 72.40 H new ATOM 0 HG3 ARG A 58 9.322 -11.702 5.087 1.00 72.40 H new ATOM 0 HD2 ARG A 58 7.153 -11.165 5.328 1.00 74.13 H new ATOM 0 HD3 ARG A 58 6.751 -12.869 5.409 1.00 74.13 H new ATOM 0 HE ARG A 58 7.715 -11.849 7.964 1.00 61.02 H new ATOM 0 HH11 ARG A 58 4.925 -12.112 5.817 1.00 3.13 H new ATOM 0 HH12 ARG A 58 3.754 -11.970 7.132 1.00 3.13 H new ATOM 0 HH21 ARG A 58 6.205 -11.666 9.648 1.00 62.43 H new ATOM 0 HH22 ARG A 58 4.475 -11.718 9.292 1.00 62.43 H new ATOM 843 N PHE A 59 7.992 -16.793 7.011 1.00 65.11 N ATOM 844 CA PHE A 59 6.797 -17.492 7.467 1.00 20.44 C ATOM 845 C PHE A 59 7.084 -18.289 8.737 1.00 63.03 C ATOM 846 O PHE A 59 8.191 -18.791 8.930 1.00 21.10 O ATOM 847 CB PHE A 59 6.277 -18.426 6.372 1.00 22.24 C ATOM 848 CG PHE A 59 5.564 -17.709 5.262 1.00 61.22 C ATOM 849 CD1 PHE A 59 4.557 -16.799 5.541 1.00 64.10 C ATOM 850 CD2 PHE A 59 5.900 -17.946 3.939 1.00 42.24 C ATOM 851 CE1 PHE A 59 3.899 -16.137 4.521 1.00 24.34 C ATOM 852 CE2 PHE A 59 5.246 -17.287 2.915 1.00 41.31 C ATOM 853 CZ PHE A 59 4.244 -16.382 3.207 1.00 74.44 C ATOM 0 H PHE A 59 8.845 -17.352 7.041 1.00 65.11 H new ATOM 0 HA PHE A 59 6.034 -16.746 7.691 1.00 20.44 H new ATOM 0 HB2 PHE A 59 7.114 -18.985 5.954 1.00 22.24 H new ATOM 0 HB3 PHE A 59 5.599 -19.154 6.818 1.00 22.24 H new ATOM 0 HD1 PHE A 59 4.283 -16.605 6.567 1.00 64.10 H new ATOM 0 HD2 PHE A 59 6.682 -18.654 3.705 1.00 42.24 H new ATOM 0 HE1 PHE A 59 3.116 -15.429 4.752 1.00 24.34 H new ATOM 0 HE2 PHE A 59 5.518 -17.479 1.888 1.00 41.31 H new ATOM 0 HZ PHE A 59 3.731 -15.867 2.408 1.00 74.44 H new ATOM 863 N ALA A 60 6.079 -18.399 9.599 1.00 61.50 N ATOM 864 CA ALA A 60 6.222 -19.136 10.849 1.00 42.51 C ATOM 865 C ALA A 60 6.280 -20.638 10.598 1.00 73.55 C ATOM 866 O ALA A 60 5.281 -21.255 10.229 1.00 14.25 O ATOM 867 CB ALA A 60 5.077 -18.800 11.793 1.00 3.22 C ATOM 0 H ALA A 60 5.157 -17.987 9.455 1.00 61.50 H new ATOM 0 HA ALA A 60 7.161 -18.836 11.313 1.00 42.51 H new ATOM 0 HB1 ALA A 60 5.196 -19.357 12.722 1.00 3.22 H new ATOM 0 HB2 ALA A 60 5.084 -17.731 12.007 1.00 3.22 H new ATOM 0 HB3 ALA A 60 4.130 -19.071 11.327 1.00 3.22 H new ATOM 873 N GLY A 61 7.457 -21.223 10.798 1.00 30.02 N ATOM 874 CA GLY A 61 7.623 -22.649 10.587 1.00 34.24 C ATOM 875 C GLY A 61 8.830 -22.972 9.729 1.00 33.23 C ATOM 876 O GLY A 61 9.102 -24.138 9.442 1.00 74.14 O ATOM 0 H GLY A 61 8.299 -20.734 11.103 1.00 30.02 H new ATOM 0 HA2 GLY A 61 7.723 -23.147 11.552 1.00 34.24 H new ATOM 0 HA3 GLY A 61 6.727 -23.050 10.113 1.00 34.24 H new ATOM 880 N TYR A 62 9.555 -21.938 9.318 1.00 13.00 N ATOM 881 CA TYR A 62 10.737 -22.117 8.484 1.00 42.00 C ATOM 882 C TYR A 62 10.375 -22.789 7.163 1.00 65.00 C ATOM 883 O TYR A 62 11.119 -23.629 6.655 1.00 43.22 O ATOM 884 CB TYR A 62 11.786 -22.950 9.222 1.00 5.12 C ATOM 885 CG TYR A 62 11.858 -22.659 10.704 1.00 14.32 C ATOM 886 CD1 TYR A 62 11.881 -23.691 11.634 1.00 3.34 C ATOM 887 CD2 TYR A 62 11.900 -21.352 11.174 1.00 22.14 C ATOM 888 CE1 TYR A 62 11.946 -23.430 12.989 1.00 14.45 C ATOM 889 CE2 TYR A 62 11.966 -21.082 12.527 1.00 0.35 C ATOM 890 CZ TYR A 62 11.988 -22.124 13.431 1.00 43.40 C ATOM 891 OH TYR A 62 12.052 -21.858 14.780 1.00 64.33 O ATOM 0 H TYR A 62 9.345 -20.967 9.549 1.00 13.00 H new ATOM 0 HA TYR A 62 11.151 -21.132 8.268 1.00 42.00 H new ATOM 0 HB2 TYR A 62 11.565 -24.008 9.078 1.00 5.12 H new ATOM 0 HB3 TYR A 62 12.763 -22.766 8.776 1.00 5.12 H new ATOM 0 HD1 TYR A 62 11.847 -24.715 11.292 1.00 3.34 H new ATOM 0 HD2 TYR A 62 11.881 -20.534 10.470 1.00 22.14 H new ATOM 0 HE1 TYR A 62 11.964 -24.244 13.698 1.00 14.45 H new ATOM 0 HE2 TYR A 62 12.000 -20.060 12.876 1.00 0.35 H new ATOM 0 HH TYR A 62 12.076 -20.889 14.921 1.00 64.33 H new ATOM 901 N THR A 63 9.226 -22.413 6.610 1.00 4.31 N ATOM 902 CA THR A 63 8.764 -22.978 5.349 1.00 52.31 C ATOM 903 C THR A 63 8.290 -21.885 4.398 1.00 40.23 C ATOM 904 O THR A 63 7.790 -20.846 4.829 1.00 11.04 O ATOM 905 CB THR A 63 7.617 -23.982 5.570 1.00 23.33 C ATOM 906 OG1 THR A 63 7.108 -24.430 4.309 1.00 21.32 O ATOM 907 CG2 THR A 63 6.495 -23.352 6.381 1.00 31.32 C ATOM 0 H THR A 63 8.598 -21.719 7.016 1.00 4.31 H new ATOM 0 HA THR A 63 9.613 -23.499 4.906 1.00 52.31 H new ATOM 0 HB THR A 63 8.011 -24.833 6.125 1.00 23.33 H new ATOM 0 HG1 THR A 63 7.826 -24.861 3.801 1.00 21.32 H new ATOM 0 HG21 THR A 63 5.696 -24.080 6.524 1.00 31.32 H new ATOM 0 HG22 THR A 63 6.879 -23.039 7.352 1.00 31.32 H new ATOM 0 HG23 THR A 63 6.104 -22.485 5.849 1.00 31.32 H new ATOM 915 N VAL A 64 8.450 -22.126 3.100 1.00 12.32 N ATOM 916 CA VAL A 64 8.036 -21.162 2.087 1.00 24.11 C ATOM 917 C VAL A 64 7.587 -21.865 0.811 1.00 12.02 C ATOM 918 O VAL A 64 7.996 -22.992 0.532 1.00 24.41 O ATOM 919 CB VAL A 64 9.175 -20.182 1.747 1.00 60.44 C ATOM 920 CG1 VAL A 64 10.268 -20.887 0.957 1.00 31.15 C ATOM 921 CG2 VAL A 64 8.636 -18.987 0.976 1.00 51.12 C ATOM 0 H VAL A 64 8.863 -22.980 2.726 1.00 12.32 H new ATOM 0 HA VAL A 64 7.198 -20.603 2.504 1.00 24.11 H new ATOM 0 HB VAL A 64 9.609 -19.819 2.679 1.00 60.44 H new ATOM 0 HG11 VAL A 64 11.064 -20.179 0.726 1.00 31.15 H new ATOM 0 HG12 VAL A 64 10.673 -21.708 1.549 1.00 31.15 H new ATOM 0 HG13 VAL A 64 9.851 -21.280 0.030 1.00 31.15 H new ATOM 0 HG21 VAL A 64 9.454 -18.305 0.744 1.00 51.12 H new ATOM 0 HG22 VAL A 64 8.175 -19.330 0.049 1.00 51.12 H new ATOM 0 HG23 VAL A 64 7.892 -18.469 1.581 1.00 51.12 H new ATOM 931 N THR A 65 6.741 -21.191 0.037 1.00 21.45 N ATOM 932 CA THR A 65 6.235 -21.751 -1.209 1.00 54.13 C ATOM 933 C THR A 65 7.180 -21.457 -2.368 1.00 64.01 C ATOM 934 O THR A 65 7.847 -22.356 -2.880 1.00 12.12 O ATOM 935 CB THR A 65 4.838 -21.196 -1.548 1.00 2.21 C ATOM 936 OG1 THR A 65 4.447 -20.225 -0.571 1.00 10.31 O ATOM 937 CG2 THR A 65 3.809 -22.315 -1.599 1.00 12.44 C ATOM 0 H THR A 65 6.392 -20.257 0.252 1.00 21.45 H new ATOM 0 HA THR A 65 6.165 -22.829 -1.065 1.00 54.13 H new ATOM 0 HB THR A 65 4.887 -20.724 -2.529 1.00 2.21 H new ATOM 0 HG1 THR A 65 3.474 -20.111 -0.594 1.00 10.31 H new ATOM 0 HG21 THR A 65 2.831 -21.899 -1.840 1.00 12.44 H new ATOM 0 HG22 THR A 65 4.095 -23.037 -2.364 1.00 12.44 H new ATOM 0 HG23 THR A 65 3.763 -22.812 -0.630 1.00 12.44 H new ATOM 945 N GLU A 66 7.234 -20.193 -2.776 1.00 71.04 N ATOM 946 CA GLU A 66 8.099 -19.782 -3.876 1.00 23.12 C ATOM 947 C GLU A 66 8.069 -18.267 -4.055 1.00 2.02 C ATOM 948 O GLU A 66 7.535 -17.542 -3.215 1.00 1.53 O ATOM 949 CB GLU A 66 7.672 -20.469 -5.175 1.00 12.33 C ATOM 950 CG GLU A 66 6.306 -20.029 -5.674 1.00 73.43 C ATOM 951 CD GLU A 66 5.449 -21.195 -6.130 1.00 13.53 C ATOM 952 OE1 GLU A 66 5.899 -21.951 -7.016 1.00 1.31 O ATOM 953 OE2 GLU A 66 4.328 -21.350 -5.601 1.00 24.22 O ATOM 0 H GLU A 66 6.690 -19.436 -2.362 1.00 71.04 H new ATOM 0 HA GLU A 66 9.119 -20.082 -3.634 1.00 23.12 H new ATOM 0 HB2 GLU A 66 8.415 -20.264 -5.946 1.00 12.33 H new ATOM 0 HB3 GLU A 66 7.663 -21.548 -5.020 1.00 12.33 H new ATOM 0 HG2 GLU A 66 5.789 -19.491 -4.879 1.00 73.43 H new ATOM 0 HG3 GLU A 66 6.433 -19.331 -6.501 1.00 73.43 H new ATOM 960 N LEU A 67 8.647 -17.796 -5.154 1.00 53.34 N ATOM 961 CA LEU A 67 8.687 -16.367 -5.445 1.00 3.41 C ATOM 962 C LEU A 67 7.288 -15.761 -5.396 1.00 22.01 C ATOM 963 O LEU A 67 7.105 -14.632 -4.942 1.00 5.11 O ATOM 964 CB LEU A 67 9.313 -16.123 -6.819 1.00 70.23 C ATOM 965 CG LEU A 67 8.588 -16.756 -8.008 1.00 44.52 C ATOM 966 CD1 LEU A 67 7.546 -15.800 -8.568 1.00 10.03 C ATOM 967 CD2 LEU A 67 9.583 -17.154 -9.088 1.00 63.43 C ATOM 0 H LEU A 67 9.094 -18.382 -5.858 1.00 53.34 H new ATOM 0 HA LEU A 67 9.299 -15.884 -4.683 1.00 3.41 H new ATOM 0 HB2 LEU A 67 9.370 -15.047 -6.984 1.00 70.23 H new ATOM 0 HB3 LEU A 67 10.337 -16.497 -6.802 1.00 70.23 H new ATOM 0 HG LEU A 67 8.078 -17.655 -7.662 1.00 44.52 H new ATOM 0 HD11 LEU A 67 7.040 -16.267 -9.413 1.00 10.03 H new ATOM 0 HD12 LEU A 67 6.816 -15.563 -7.794 1.00 10.03 H new ATOM 0 HD13 LEU A 67 8.034 -14.883 -8.899 1.00 10.03 H new ATOM 0 HD21 LEU A 67 9.050 -17.603 -9.926 1.00 63.43 H new ATOM 0 HD22 LEU A 67 10.121 -16.270 -9.431 1.00 63.43 H new ATOM 0 HD23 LEU A 67 10.292 -17.875 -8.681 1.00 63.43 H new ATOM 979 N ALA A 68 6.303 -16.521 -5.864 1.00 45.45 N ATOM 980 CA ALA A 68 4.920 -16.061 -5.870 1.00 44.41 C ATOM 981 C ALA A 68 4.459 -15.690 -4.465 1.00 23.24 C ATOM 982 O ALA A 68 3.747 -14.705 -4.274 1.00 51.03 O ATOM 983 CB ALA A 68 4.012 -17.128 -6.462 1.00 14.13 C ATOM 0 H ALA A 68 6.437 -17.458 -6.244 1.00 45.45 H new ATOM 0 HA ALA A 68 4.863 -15.166 -6.490 1.00 44.41 H new ATOM 0 HB1 ALA A 68 2.982 -16.771 -6.460 1.00 14.13 H new ATOM 0 HB2 ALA A 68 4.320 -17.341 -7.485 1.00 14.13 H new ATOM 0 HB3 ALA A 68 4.082 -18.037 -5.865 1.00 14.13 H new ATOM 989 N ALA A 69 4.870 -16.487 -3.483 1.00 53.31 N ATOM 990 CA ALA A 69 4.500 -16.241 -2.095 1.00 34.32 C ATOM 991 C ALA A 69 5.169 -14.979 -1.563 1.00 51.51 C ATOM 992 O ALA A 69 4.596 -14.257 -0.746 1.00 60.12 O ATOM 993 CB ALA A 69 4.866 -17.439 -1.231 1.00 64.11 C ATOM 0 H ALA A 69 5.459 -17.308 -3.624 1.00 53.31 H new ATOM 0 HA ALA A 69 3.421 -16.093 -2.054 1.00 34.32 H new ATOM 0 HB1 ALA A 69 4.584 -17.241 -0.197 1.00 64.11 H new ATOM 0 HB2 ALA A 69 4.336 -18.322 -1.589 1.00 64.11 H new ATOM 0 HB3 ALA A 69 5.940 -17.613 -1.287 1.00 64.11 H new ATOM 999 N PHE A 70 6.385 -14.717 -2.031 1.00 31.21 N ATOM 1000 CA PHE A 70 7.133 -13.542 -1.601 1.00 2.31 C ATOM 1001 C PHE A 70 6.657 -12.294 -2.339 1.00 43.02 C ATOM 1002 O PHE A 70 6.965 -11.171 -1.944 1.00 3.44 O ATOM 1003 CB PHE A 70 8.630 -13.749 -1.839 1.00 4.13 C ATOM 1004 CG PHE A 70 9.486 -12.659 -1.259 1.00 51.34 C ATOM 1005 CD1 PHE A 70 9.638 -12.534 0.112 1.00 33.01 C ATOM 1006 CD2 PHE A 70 10.138 -11.758 -2.086 1.00 71.34 C ATOM 1007 CE1 PHE A 70 10.424 -11.532 0.649 1.00 65.24 C ATOM 1008 CE2 PHE A 70 10.926 -10.755 -1.556 1.00 2.22 C ATOM 1009 CZ PHE A 70 11.069 -10.641 -0.187 1.00 13.23 C ATOM 0 H PHE A 70 6.873 -15.303 -2.708 1.00 31.21 H new ATOM 0 HA PHE A 70 6.958 -13.401 -0.534 1.00 2.31 H new ATOM 0 HB2 PHE A 70 8.930 -14.704 -1.407 1.00 4.13 H new ATOM 0 HB3 PHE A 70 8.814 -13.812 -2.912 1.00 4.13 H new ATOM 0 HD1 PHE A 70 9.136 -13.228 0.770 1.00 33.01 H new ATOM 0 HD2 PHE A 70 10.029 -11.841 -3.157 1.00 71.34 H new ATOM 0 HE1 PHE A 70 10.534 -11.446 1.720 1.00 65.24 H new ATOM 0 HE2 PHE A 70 11.430 -10.060 -2.212 1.00 2.22 H new ATOM 0 HZ PHE A 70 11.684 -9.857 0.229 1.00 13.23 H new ATOM 1019 N ASN A 71 5.905 -12.501 -3.415 1.00 71.21 N ATOM 1020 CA ASN A 71 5.387 -11.394 -4.210 1.00 50.23 C ATOM 1021 C ASN A 71 4.506 -10.481 -3.363 1.00 35.20 C ATOM 1022 O ASN A 71 4.624 -9.257 -3.419 1.00 42.35 O ATOM 1023 CB ASN A 71 4.591 -11.925 -5.405 1.00 4.44 C ATOM 1024 CG ASN A 71 4.996 -11.264 -6.708 1.00 53.23 C ATOM 1025 OD1 ASN A 71 5.828 -11.786 -7.450 1.00 73.31 O ATOM 1026 ND2 ASN A 71 4.407 -10.108 -6.993 1.00 71.11 N ATOM 0 H ASN A 71 5.641 -13.425 -3.756 1.00 71.21 H new ATOM 0 HA ASN A 71 6.235 -10.814 -4.575 1.00 50.23 H new ATOM 0 HB2 ASN A 71 4.737 -13.002 -5.486 1.00 4.44 H new ATOM 0 HB3 ASN A 71 3.528 -11.760 -5.232 1.00 4.44 H new ATOM 0 HD21 ASN A 71 4.639 -9.617 -7.856 1.00 71.11 H new ATOM 0 HD22 ASN A 71 3.723 -9.712 -6.349 1.00 71.11 H new ATOM 1033 N THR A 72 3.621 -11.086 -2.576 1.00 55.24 N ATOM 1034 CA THR A 72 2.719 -10.329 -1.718 1.00 14.14 C ATOM 1035 C THR A 72 3.462 -9.735 -0.527 1.00 23.44 C ATOM 1036 O THR A 72 3.139 -8.642 -0.063 1.00 4.25 O ATOM 1037 CB THR A 72 1.564 -11.209 -1.201 1.00 44.40 C ATOM 1038 OG1 THR A 72 0.644 -10.415 -0.444 1.00 4.43 O ATOM 1039 CG2 THR A 72 2.094 -12.343 -0.337 1.00 33.21 C ATOM 0 H THR A 72 3.510 -12.098 -2.516 1.00 55.24 H new ATOM 0 HA THR A 72 2.308 -9.523 -2.325 1.00 14.14 H new ATOM 0 HB THR A 72 1.050 -11.638 -2.061 1.00 44.40 H new ATOM 0 HG1 THR A 72 -0.088 -10.981 -0.120 1.00 4.43 H new ATOM 0 HG21 THR A 72 1.261 -12.951 0.017 1.00 33.21 H new ATOM 0 HG22 THR A 72 2.771 -12.962 -0.925 1.00 33.21 H new ATOM 0 HG23 THR A 72 2.630 -11.930 0.517 1.00 33.21 H new ATOM 1047 N VAL A 73 4.461 -10.463 -0.036 1.00 13.02 N ATOM 1048 CA VAL A 73 5.252 -10.007 1.101 1.00 60.13 C ATOM 1049 C VAL A 73 6.065 -8.768 0.743 1.00 51.03 C ATOM 1050 O VAL A 73 6.058 -7.776 1.471 1.00 10.24 O ATOM 1051 CB VAL A 73 6.207 -11.108 1.597 1.00 24.52 C ATOM 1052 CG1 VAL A 73 7.071 -10.592 2.738 1.00 34.33 C ATOM 1053 CG2 VAL A 73 5.423 -12.340 2.026 1.00 45.23 C ATOM 0 H VAL A 73 4.741 -11.370 -0.408 1.00 13.02 H new ATOM 0 HA VAL A 73 4.550 -9.760 1.897 1.00 60.13 H new ATOM 0 HB VAL A 73 6.864 -11.392 0.775 1.00 24.52 H new ATOM 0 HG11 VAL A 73 7.739 -11.384 3.075 1.00 34.33 H new ATOM 0 HG12 VAL A 73 7.660 -9.743 2.393 1.00 34.33 H new ATOM 0 HG13 VAL A 73 6.433 -10.279 3.565 1.00 34.33 H new ATOM 0 HG21 VAL A 73 6.114 -13.108 2.374 1.00 45.23 H new ATOM 0 HG22 VAL A 73 4.740 -12.074 2.833 1.00 45.23 H new ATOM 0 HG23 VAL A 73 4.853 -12.721 1.179 1.00 45.23 H new ATOM 1063 N VAL A 74 6.765 -8.832 -0.385 1.00 41.24 N ATOM 1064 CA VAL A 74 7.583 -7.714 -0.842 1.00 74.30 C ATOM 1065 C VAL A 74 6.717 -6.514 -1.207 1.00 42.53 C ATOM 1066 O VAL A 74 7.112 -5.366 -1.002 1.00 35.00 O ATOM 1067 CB VAL A 74 8.438 -8.106 -2.061 1.00 65.32 C ATOM 1068 CG1 VAL A 74 7.554 -8.395 -3.264 1.00 73.42 C ATOM 1069 CG2 VAL A 74 9.444 -7.011 -2.380 1.00 4.51 C ATOM 0 H VAL A 74 6.782 -9.646 -0.999 1.00 41.24 H new ATOM 0 HA VAL A 74 8.242 -7.445 -0.017 1.00 74.30 H new ATOM 0 HB VAL A 74 8.989 -9.015 -1.819 1.00 65.32 H new ATOM 0 HG11 VAL A 74 8.177 -8.670 -4.115 1.00 73.42 H new ATOM 0 HG12 VAL A 74 6.877 -9.216 -3.029 1.00 73.42 H new ATOM 0 HG13 VAL A 74 6.974 -7.506 -3.511 1.00 73.42 H new ATOM 0 HG21 VAL A 74 10.040 -7.305 -3.244 1.00 4.51 H new ATOM 0 HG22 VAL A 74 8.915 -6.084 -2.602 1.00 4.51 H new ATOM 0 HG23 VAL A 74 10.099 -6.858 -1.523 1.00 4.51 H new ATOM 1079 N ALA A 75 5.535 -6.786 -1.750 1.00 20.33 N ATOM 1080 CA ALA A 75 4.612 -5.728 -2.141 1.00 70.44 C ATOM 1081 C ALA A 75 4.108 -4.960 -0.924 1.00 65.40 C ATOM 1082 O ALA A 75 4.007 -3.734 -0.951 1.00 14.23 O ATOM 1083 CB ALA A 75 3.442 -6.311 -2.921 1.00 44.54 C ATOM 0 H ALA A 75 5.194 -7.731 -1.929 1.00 20.33 H new ATOM 0 HA ALA A 75 5.150 -5.029 -2.781 1.00 70.44 H new ATOM 0 HB1 ALA A 75 2.760 -5.510 -3.207 1.00 44.54 H new ATOM 0 HB2 ALA A 75 3.814 -6.808 -3.817 1.00 44.54 H new ATOM 0 HB3 ALA A 75 2.913 -7.033 -2.298 1.00 44.54 H new ATOM 1089 N ARG A 76 3.794 -5.690 0.142 1.00 42.25 N ATOM 1090 CA ARG A 76 3.299 -5.077 1.368 1.00 3.32 C ATOM 1091 C ARG A 76 4.454 -4.568 2.226 1.00 42.10 C ATOM 1092 O ARG A 76 4.290 -3.642 3.021 1.00 50.21 O ATOM 1093 CB ARG A 76 2.463 -6.080 2.164 1.00 73.43 C ATOM 1094 CG ARG A 76 0.998 -6.108 1.760 1.00 53.41 C ATOM 1095 CD ARG A 76 0.835 -6.378 0.272 1.00 32.24 C ATOM 1096 NE ARG A 76 -0.566 -6.351 -0.139 1.00 34.24 N ATOM 1097 CZ ARG A 76 -0.961 -6.168 -1.394 1.00 23.21 C ATOM 1098 NH1 ARG A 76 -0.064 -5.998 -2.356 1.00 11.44 N ATOM 1099 NH2 ARG A 76 -2.254 -6.156 -1.689 1.00 72.32 N ATOM 0 H ARG A 76 3.874 -6.706 0.181 1.00 42.25 H new ATOM 0 HA ARG A 76 2.672 -4.229 1.092 1.00 3.32 H new ATOM 0 HB2 ARG A 76 2.886 -7.076 2.035 1.00 73.43 H new ATOM 0 HB3 ARG A 76 2.534 -5.839 3.225 1.00 73.43 H new ATOM 0 HG2 ARG A 76 0.477 -6.878 2.330 1.00 53.41 H new ATOM 0 HG3 ARG A 76 0.532 -5.155 2.011 1.00 53.41 H new ATOM 0 HD2 ARG A 76 1.393 -5.633 -0.295 1.00 32.24 H new ATOM 0 HD3 ARG A 76 1.265 -7.350 0.031 1.00 32.24 H new ATOM 0 HE ARG A 76 -1.281 -6.480 0.577 1.00 34.24 H new ATOM 0 HH11 ARG A 76 0.931 -6.008 -2.133 1.00 11.44 H new ATOM 0 HH12 ARG A 76 -0.369 -5.858 -3.319 1.00 11.44 H new ATOM 0 HH21 ARG A 76 -2.947 -6.287 -0.952 1.00 72.32 H new ATOM 0 HH22 ARG A 76 -2.556 -6.015 -2.653 1.00 72.32 H new ATOM 1113 N HIS A 77 5.622 -5.180 2.060 1.00 64.01 N ATOM 1114 CA HIS A 77 6.805 -4.789 2.819 1.00 61.11 C ATOM 1115 C HIS A 77 7.424 -3.519 2.244 1.00 44.14 C ATOM 1116 O HIS A 77 7.736 -2.581 2.977 1.00 10.42 O ATOM 1117 CB HIS A 77 7.835 -5.919 2.816 1.00 1.04 C ATOM 1118 CG HIS A 77 7.552 -6.990 3.824 1.00 33.03 C ATOM 1119 ND1 HIS A 77 8.517 -7.855 4.295 1.00 71.34 N ATOM 1120 CD2 HIS A 77 6.403 -7.332 4.453 1.00 21.14 C ATOM 1121 CE1 HIS A 77 7.974 -8.684 5.168 1.00 72.40 C ATOM 1122 NE2 HIS A 77 6.692 -8.388 5.283 1.00 51.22 N ATOM 0 H HIS A 77 5.775 -5.948 1.407 1.00 64.01 H new ATOM 0 HA HIS A 77 6.498 -4.590 3.846 1.00 61.11 H new ATOM 0 HB2 HIS A 77 7.869 -6.366 1.823 1.00 1.04 H new ATOM 0 HB3 HIS A 77 8.822 -5.500 3.011 1.00 1.04 H new ATOM 0 HD2 HIS A 77 5.439 -6.862 4.326 1.00 21.14 H new ATOM 0 HE1 HIS A 77 8.491 -9.471 5.698 1.00 72.40 H new ATOM 0 HE2 HIS A 77 6.025 -8.866 5.889 1.00 51.22 H new ATOM 1130 N VAL A 78 7.601 -3.496 0.926 1.00 30.43 N ATOM 1131 CA VAL A 78 8.183 -2.342 0.253 1.00 52.34 C ATOM 1132 C VAL A 78 7.559 -1.043 0.751 1.00 51.15 C ATOM 1133 O VAL A 78 6.425 -0.713 0.401 1.00 4.02 O ATOM 1134 CB VAL A 78 8.002 -2.433 -1.274 1.00 41.13 C ATOM 1135 CG1 VAL A 78 6.533 -2.606 -1.629 1.00 0.31 C ATOM 1136 CG2 VAL A 78 8.582 -1.201 -1.953 1.00 73.35 C ATOM 0 H VAL A 78 7.349 -4.264 0.304 1.00 30.43 H new ATOM 0 HA VAL A 78 9.248 -2.343 0.486 1.00 52.34 H new ATOM 0 HB VAL A 78 8.543 -3.308 -1.635 1.00 41.13 H new ATOM 0 HG11 VAL A 78 6.425 -2.668 -2.712 1.00 0.31 H new ATOM 0 HG12 VAL A 78 6.154 -3.521 -1.173 1.00 0.31 H new ATOM 0 HG13 VAL A 78 5.966 -1.753 -1.256 1.00 0.31 H new ATOM 0 HG21 VAL A 78 8.446 -1.282 -3.031 1.00 73.35 H new ATOM 0 HG22 VAL A 78 8.071 -0.310 -1.588 1.00 73.35 H new ATOM 0 HG23 VAL A 78 9.646 -1.127 -1.726 1.00 73.35 H new ATOM 1146 N ARG A 79 8.307 -0.309 1.568 1.00 34.01 N ATOM 1147 CA ARG A 79 7.827 0.954 2.115 1.00 14.21 C ATOM 1148 C ARG A 79 8.994 1.861 2.494 1.00 52.33 C ATOM 1149 O ARG A 79 10.126 1.414 2.677 1.00 60.54 O ATOM 1150 CB ARG A 79 6.945 0.702 3.340 1.00 51.14 C ATOM 1151 CG ARG A 79 5.466 0.940 3.084 1.00 35.31 C ATOM 1152 CD ARG A 79 4.822 1.717 4.222 1.00 75.42 C ATOM 1153 NE ARG A 79 3.674 2.498 3.770 1.00 52.52 N ATOM 1154 CZ ARG A 79 2.772 3.023 4.592 1.00 20.12 C ATOM 1155 NH1 ARG A 79 2.885 2.850 5.902 1.00 54.11 N ATOM 1156 NH2 ARG A 79 1.755 3.722 4.105 1.00 42.32 N ATOM 0 H ARG A 79 9.248 -0.567 1.866 1.00 34.01 H new ATOM 0 HA ARG A 79 7.236 1.452 1.346 1.00 14.21 H new ATOM 0 HB2 ARG A 79 7.087 -0.326 3.674 1.00 51.14 H new ATOM 0 HB3 ARG A 79 7.273 1.349 4.153 1.00 51.14 H new ATOM 0 HG2 ARG A 79 5.341 1.489 2.151 1.00 35.31 H new ATOM 0 HG3 ARG A 79 4.958 -0.017 2.962 1.00 35.31 H new ATOM 0 HD2 ARG A 79 4.505 1.023 5.001 1.00 75.42 H new ATOM 0 HD3 ARG A 79 5.560 2.383 4.670 1.00 75.42 H new ATOM 0 HE ARG A 79 3.558 2.649 2.768 1.00 52.52 H new ATOM 0 HH11 ARG A 79 3.665 2.313 6.280 1.00 54.11 H new ATOM 0 HH12 ARG A 79 2.191 3.254 6.531 1.00 54.11 H new ATOM 0 HH21 ARG A 79 1.665 3.857 3.098 1.00 42.32 H new ATOM 0 HH22 ARG A 79 1.063 4.124 4.738 1.00 42.32 H new ATOM 1170 N PRO A 80 8.714 3.168 2.614 1.00 73.53 N ATOM 1171 CA PRO A 80 9.727 4.165 2.971 1.00 31.23 C ATOM 1172 C PRO A 80 10.187 4.030 4.419 1.00 42.22 C ATOM 1173 O PRO A 80 9.408 4.234 5.349 1.00 12.45 O ATOM 1174 CB PRO A 80 9.003 5.497 2.762 1.00 34.01 C ATOM 1175 CG PRO A 80 7.558 5.173 2.927 1.00 30.25 C ATOM 1176 CD PRO A 80 7.386 3.771 2.410 1.00 2.41 C ATOM 0 HA PRO A 80 10.632 4.058 2.374 1.00 31.23 H new ATOM 0 HB2 PRO A 80 9.327 6.242 3.489 1.00 34.01 H new ATOM 0 HB3 PRO A 80 9.206 5.907 1.773 1.00 34.01 H new ATOM 0 HG2 PRO A 80 7.260 5.243 3.973 1.00 30.25 H new ATOM 0 HG3 PRO A 80 6.935 5.873 2.371 1.00 30.25 H new ATOM 0 HD2 PRO A 80 6.612 3.233 2.957 1.00 2.41 H new ATOM 0 HD3 PRO A 80 7.098 3.763 1.359 1.00 2.41 H new ATOM 1184 N SER A 81 11.458 3.686 4.601 1.00 31.23 N ATOM 1185 CA SER A 81 12.021 3.521 5.936 1.00 20.13 C ATOM 1186 C SER A 81 11.176 2.560 6.767 1.00 11.45 C ATOM 1187 O SER A 81 10.959 2.779 7.959 1.00 54.32 O ATOM 1188 CB SER A 81 12.118 4.874 6.643 1.00 44.54 C ATOM 1189 OG SER A 81 12.430 5.908 5.724 1.00 21.32 O ATOM 0 H SER A 81 12.117 3.516 3.841 1.00 31.23 H new ATOM 0 HA SER A 81 13.021 3.101 5.832 1.00 20.13 H new ATOM 0 HB2 SER A 81 11.174 5.097 7.140 1.00 44.54 H new ATOM 0 HB3 SER A 81 12.883 4.829 7.418 1.00 44.54 H new ATOM 0 HG SER A 81 12.485 6.763 6.200 1.00 21.32 H new ATOM 1195 N ALA A 82 10.702 1.495 6.129 1.00 13.53 N ATOM 1196 CA ALA A 82 9.882 0.500 6.809 1.00 61.12 C ATOM 1197 C ALA A 82 10.680 -0.768 7.091 1.00 25.33 C ATOM 1198 O ALA A 82 11.186 -1.412 6.172 1.00 23.44 O ATOM 1199 CB ALA A 82 8.649 0.176 5.978 1.00 21.54 C ATOM 0 H ALA A 82 10.872 1.299 5.142 1.00 13.53 H new ATOM 0 HA ALA A 82 9.564 0.918 7.764 1.00 61.12 H new ATOM 0 HB1 ALA A 82 8.045 -0.568 6.497 1.00 21.54 H new ATOM 0 HB2 ALA A 82 8.061 1.082 5.831 1.00 21.54 H new ATOM 0 HB3 ALA A 82 8.956 -0.218 5.009 1.00 21.54 H new ATOM 1205 N SER A 83 10.790 -1.121 8.368 1.00 2.33 N ATOM 1206 CA SER A 83 11.531 -2.310 8.772 1.00 4.20 C ATOM 1207 C SER A 83 10.582 -3.409 9.240 1.00 2.32 C ATOM 1208 O SER A 83 9.684 -3.166 10.047 1.00 3.12 O ATOM 1209 CB SER A 83 12.521 -1.966 9.887 1.00 51.20 C ATOM 1210 OG SER A 83 12.880 -0.596 9.845 1.00 10.42 O ATOM 0 H SER A 83 10.375 -0.600 9.141 1.00 2.33 H new ATOM 0 HA SER A 83 12.083 -2.675 7.906 1.00 4.20 H new ATOM 0 HB2 SER A 83 12.079 -2.200 10.855 1.00 51.20 H new ATOM 0 HB3 SER A 83 13.414 -2.583 9.787 1.00 51.20 H new ATOM 0 HG SER A 83 13.512 -0.401 10.568 1.00 10.42 H new ATOM 1216 N ILE A 84 10.788 -4.617 8.728 1.00 72.23 N ATOM 1217 CA ILE A 84 9.952 -5.754 9.093 1.00 12.15 C ATOM 1218 C ILE A 84 10.802 -6.960 9.477 1.00 33.44 C ATOM 1219 O ILE A 84 11.754 -7.325 8.788 1.00 42.23 O ATOM 1220 CB ILE A 84 9.007 -6.151 7.944 1.00 52.31 C ATOM 1221 CG1 ILE A 84 8.149 -4.955 7.524 1.00 32.33 C ATOM 1222 CG2 ILE A 84 8.128 -7.320 8.361 1.00 73.32 C ATOM 1223 CD1 ILE A 84 7.287 -4.409 8.641 1.00 53.24 C ATOM 0 H ILE A 84 11.527 -4.834 8.059 1.00 72.23 H new ATOM 0 HA ILE A 84 9.356 -5.444 9.951 1.00 12.15 H new ATOM 0 HB ILE A 84 9.608 -6.461 7.089 1.00 52.31 H new ATOM 0 HG12 ILE A 84 8.800 -4.162 7.157 1.00 32.33 H new ATOM 0 HG13 ILE A 84 7.509 -5.251 6.693 1.00 32.33 H new ATOM 0 HG21 ILE A 84 7.466 -7.589 7.538 1.00 73.32 H new ATOM 0 HG22 ILE A 84 8.755 -8.174 8.616 1.00 73.32 H new ATOM 0 HG23 ILE A 84 7.532 -7.036 9.228 1.00 73.32 H new ATOM 0 HD11 ILE A 84 6.706 -3.563 8.272 1.00 53.24 H new ATOM 0 HD12 ILE A 84 6.611 -5.188 8.993 1.00 53.24 H new ATOM 0 HD13 ILE A 84 7.922 -4.082 9.464 1.00 53.24 H new ATOM 1235 N PRO A 85 10.450 -7.598 10.604 1.00 53.31 N ATOM 1236 CA PRO A 85 11.166 -8.775 11.104 1.00 11.23 C ATOM 1237 C PRO A 85 10.949 -10.002 10.226 1.00 73.21 C ATOM 1238 O PRO A 85 9.851 -10.557 10.177 1.00 55.52 O ATOM 1239 CB PRO A 85 10.559 -8.996 12.492 1.00 73.11 C ATOM 1240 CG PRO A 85 9.201 -8.388 12.413 1.00 41.13 C ATOM 1241 CD PRO A 85 9.325 -7.218 11.476 1.00 62.43 C ATOM 0 HA PRO A 85 12.245 -8.621 11.115 1.00 11.23 H new ATOM 0 HB2 PRO A 85 10.504 -10.057 12.736 1.00 73.11 H new ATOM 0 HB3 PRO A 85 11.161 -8.522 13.267 1.00 73.11 H new ATOM 0 HG2 PRO A 85 8.472 -9.109 12.043 1.00 41.13 H new ATOM 0 HG3 PRO A 85 8.860 -8.066 13.397 1.00 41.13 H new ATOM 0 HD2 PRO A 85 8.410 -7.061 10.906 1.00 62.43 H new ATOM 0 HD3 PRO A 85 9.528 -6.292 12.014 1.00 62.43 H new ATOM 1249 N VAL A 86 12.003 -10.423 9.533 1.00 15.33 N ATOM 1250 CA VAL A 86 11.927 -11.586 8.658 1.00 42.04 C ATOM 1251 C VAL A 86 12.701 -12.763 9.240 1.00 34.53 C ATOM 1252 O VAL A 86 13.700 -12.581 9.935 1.00 44.20 O ATOM 1253 CB VAL A 86 12.477 -11.269 7.254 1.00 1.33 C ATOM 1254 CG1 VAL A 86 11.492 -10.410 6.476 1.00 32.20 C ATOM 1255 CG2 VAL A 86 13.831 -10.582 7.356 1.00 72.12 C ATOM 0 H VAL A 86 12.919 -9.976 9.561 1.00 15.33 H new ATOM 0 HA VAL A 86 10.873 -11.852 8.576 1.00 42.04 H new ATOM 0 HB VAL A 86 12.610 -12.207 6.714 1.00 1.33 H new ATOM 0 HG11 VAL A 86 11.898 -10.196 5.487 1.00 32.20 H new ATOM 0 HG12 VAL A 86 10.547 -10.943 6.373 1.00 32.20 H new ATOM 0 HG13 VAL A 86 11.325 -9.474 7.009 1.00 32.20 H new ATOM 0 HG21 VAL A 86 14.205 -10.365 6.355 1.00 72.12 H new ATOM 0 HG22 VAL A 86 13.726 -9.651 7.914 1.00 72.12 H new ATOM 0 HG23 VAL A 86 14.533 -11.237 7.872 1.00 72.12 H new ATOM 1265 N VAL A 87 12.231 -13.973 8.952 1.00 24.43 N ATOM 1266 CA VAL A 87 12.880 -15.182 9.446 1.00 33.33 C ATOM 1267 C VAL A 87 13.664 -15.877 8.339 1.00 45.41 C ATOM 1268 O VAL A 87 13.132 -16.150 7.263 1.00 13.12 O ATOM 1269 CB VAL A 87 11.853 -16.171 10.030 1.00 2.05 C ATOM 1270 CG1 VAL A 87 12.539 -17.456 10.470 1.00 41.43 C ATOM 1271 CG2 VAL A 87 11.102 -15.535 11.190 1.00 54.20 C ATOM 0 H VAL A 87 11.404 -14.142 8.380 1.00 24.43 H new ATOM 0 HA VAL A 87 13.566 -14.873 10.234 1.00 33.33 H new ATOM 0 HB VAL A 87 11.132 -16.420 9.252 1.00 2.05 H new ATOM 0 HG11 VAL A 87 11.798 -18.142 10.880 1.00 41.43 H new ATOM 0 HG12 VAL A 87 13.028 -17.919 9.613 1.00 41.43 H new ATOM 0 HG13 VAL A 87 13.283 -17.228 11.233 1.00 41.43 H new ATOM 0 HG21 VAL A 87 10.381 -16.247 11.591 1.00 54.20 H new ATOM 0 HG22 VAL A 87 11.809 -15.256 11.972 1.00 54.20 H new ATOM 0 HG23 VAL A 87 10.578 -14.646 10.840 1.00 54.20 H new ATOM 1281 N PHE A 88 14.934 -16.160 8.610 1.00 62.33 N ATOM 1282 CA PHE A 88 15.794 -16.823 7.636 1.00 51.01 C ATOM 1283 C PHE A 88 16.392 -18.100 8.219 1.00 44.13 C ATOM 1284 O PHE A 88 16.413 -18.290 9.435 1.00 42.42 O ATOM 1285 CB PHE A 88 16.913 -15.881 7.187 1.00 53.31 C ATOM 1286 CG PHE A 88 17.817 -15.448 8.305 1.00 20.24 C ATOM 1287 CD1 PHE A 88 17.419 -14.463 9.195 1.00 73.04 C ATOM 1288 CD2 PHE A 88 19.066 -16.026 8.467 1.00 32.43 C ATOM 1289 CE1 PHE A 88 18.248 -14.063 10.225 1.00 4.12 C ATOM 1290 CE2 PHE A 88 19.899 -15.631 9.496 1.00 4.32 C ATOM 1291 CZ PHE A 88 19.491 -14.647 10.375 1.00 12.14 C ATOM 0 H PHE A 88 15.390 -15.941 9.495 1.00 62.33 H new ATOM 0 HA PHE A 88 15.185 -17.089 6.772 1.00 51.01 H new ATOM 0 HB2 PHE A 88 17.508 -16.377 6.420 1.00 53.31 H new ATOM 0 HB3 PHE A 88 16.471 -14.998 6.726 1.00 53.31 H new ATOM 0 HD1 PHE A 88 16.449 -14.002 9.082 1.00 73.04 H new ATOM 0 HD2 PHE A 88 19.392 -16.794 7.781 1.00 32.43 H new ATOM 0 HE1 PHE A 88 17.925 -13.295 10.912 1.00 4.12 H new ATOM 0 HE2 PHE A 88 20.869 -16.092 9.613 1.00 4.32 H new ATOM 0 HZ PHE A 88 20.142 -14.335 11.178 1.00 12.14 H new ATOM 1301 N SER A 89 16.878 -18.973 7.342 1.00 53.23 N ATOM 1302 CA SER A 89 17.473 -20.234 7.768 1.00 72.02 C ATOM 1303 C SER A 89 18.848 -20.427 7.136 1.00 51.22 C ATOM 1304 O SER A 89 19.096 -19.981 6.015 1.00 21.42 O ATOM 1305 CB SER A 89 16.560 -21.404 7.397 1.00 72.24 C ATOM 1306 OG SER A 89 15.791 -21.824 8.510 1.00 20.54 O ATOM 0 H SER A 89 16.871 -18.830 6.332 1.00 53.23 H new ATOM 0 HA SER A 89 17.591 -20.204 8.851 1.00 72.02 H new ATOM 0 HB2 SER A 89 15.897 -21.108 6.584 1.00 72.24 H new ATOM 0 HB3 SER A 89 17.161 -22.237 7.031 1.00 72.24 H new ATOM 0 HG SER A 89 16.376 -21.934 9.289 1.00 20.54 H new ATOM 1312 N ARG A 90 19.738 -21.094 7.863 1.00 1.21 N ATOM 1313 CA ARG A 90 21.089 -21.345 7.375 1.00 31.14 C ATOM 1314 C ARG A 90 21.368 -22.843 7.296 1.00 62.11 C ATOM 1315 O ARG A 90 22.010 -23.413 8.179 1.00 41.34 O ATOM 1316 CB ARG A 90 22.117 -20.672 8.287 1.00 54.54 C ATOM 1317 CG ARG A 90 23.424 -20.338 7.587 1.00 2.54 C ATOM 1318 CD ARG A 90 24.586 -21.127 8.171 1.00 15.44 C ATOM 1319 NE ARG A 90 25.205 -20.435 9.299 1.00 62.14 N ATOM 1320 CZ ARG A 90 26.230 -20.925 9.988 1.00 51.33 C ATOM 1321 NH1 ARG A 90 26.747 -22.102 9.666 1.00 64.11 N ATOM 1322 NH2 ARG A 90 26.739 -20.236 11.001 1.00 43.31 N ATOM 0 H ARG A 90 19.548 -21.470 8.792 1.00 1.21 H new ATOM 0 HA ARG A 90 21.171 -20.923 6.373 1.00 31.14 H new ATOM 0 HB2 ARG A 90 21.687 -19.756 8.692 1.00 54.54 H new ATOM 0 HB3 ARG A 90 22.325 -21.328 9.133 1.00 54.54 H new ATOM 0 HG2 ARG A 90 23.334 -20.555 6.523 1.00 2.54 H new ATOM 0 HG3 ARG A 90 23.625 -19.271 7.679 1.00 2.54 H new ATOM 0 HD2 ARG A 90 24.233 -22.106 8.496 1.00 15.44 H new ATOM 0 HD3 ARG A 90 25.333 -21.299 7.396 1.00 15.44 H new ATOM 0 HE ARG A 90 24.830 -19.527 9.572 1.00 62.14 H new ATOM 0 HH11 ARG A 90 26.358 -22.634 8.888 1.00 64.11 H new ATOM 0 HH12 ARG A 90 27.534 -22.476 10.197 1.00 64.11 H new ATOM 0 HH21 ARG A 90 26.343 -19.330 11.251 1.00 43.31 H new ATOM 0 HH22 ARG A 90 27.526 -20.613 11.530 1.00 43.31 H new ATOM 1336 N ASP A 91 20.882 -23.475 6.233 1.00 14.33 N ATOM 1337 CA ASP A 91 21.079 -24.906 6.038 1.00 61.31 C ATOM 1338 C ASP A 91 20.441 -25.703 7.172 1.00 5.41 C ATOM 1339 O ASP A 91 20.999 -26.696 7.637 1.00 41.03 O ATOM 1340 CB ASP A 91 22.571 -25.229 5.947 1.00 23.35 C ATOM 1341 CG ASP A 91 23.360 -24.135 5.254 1.00 35.43 C ATOM 1342 OD1 ASP A 91 24.369 -23.676 5.829 1.00 52.31 O ATOM 1343 OD2 ASP A 91 22.968 -23.739 4.137 1.00 74.51 O ATOM 0 H ASP A 91 20.349 -23.018 5.493 1.00 14.33 H new ATOM 0 HA ASP A 91 20.596 -25.190 5.103 1.00 61.31 H new ATOM 0 HB2 ASP A 91 22.969 -25.380 6.951 1.00 23.35 H new ATOM 0 HB3 ASP A 91 22.704 -26.167 5.407 1.00 23.35 H new ATOM 1348 N GLY A 92 19.269 -25.258 7.614 1.00 32.24 N ATOM 1349 CA GLY A 92 18.575 -25.940 8.691 1.00 24.34 C ATOM 1350 C GLY A 92 18.735 -25.234 10.023 1.00 42.31 C ATOM 1351 O GLY A 92 18.419 -25.793 11.073 1.00 71.31 O ATOM 0 H GLY A 92 18.788 -24.438 7.246 1.00 32.24 H new ATOM 0 HA2 GLY A 92 17.515 -26.013 8.447 1.00 24.34 H new ATOM 0 HA3 GLY A 92 18.954 -26.959 8.775 1.00 24.34 H new ATOM 1355 N VAL A 93 19.229 -24.000 9.981 1.00 24.42 N ATOM 1356 CA VAL A 93 19.432 -23.216 11.194 1.00 74.43 C ATOM 1357 C VAL A 93 18.265 -22.264 11.433 1.00 23.22 C ATOM 1358 O VAL A 93 17.674 -21.740 10.489 1.00 33.04 O ATOM 1359 CB VAL A 93 20.738 -22.404 11.125 1.00 0.52 C ATOM 1360 CG1 VAL A 93 20.854 -21.476 12.325 1.00 34.02 C ATOM 1361 CG2 VAL A 93 21.939 -23.333 11.041 1.00 5.25 C ATOM 0 H VAL A 93 19.496 -23.522 9.120 1.00 24.42 H new ATOM 0 HA VAL A 93 19.497 -23.922 12.022 1.00 74.43 H new ATOM 0 HB VAL A 93 20.718 -21.792 10.223 1.00 0.52 H new ATOM 0 HG11 VAL A 93 21.783 -20.910 12.259 1.00 34.02 H new ATOM 0 HG12 VAL A 93 20.010 -20.787 12.335 1.00 34.02 H new ATOM 0 HG13 VAL A 93 20.852 -22.065 13.242 1.00 34.02 H new ATOM 0 HG21 VAL A 93 22.854 -22.742 10.993 1.00 5.25 H new ATOM 0 HG22 VAL A 93 21.966 -23.973 11.923 1.00 5.25 H new ATOM 0 HG23 VAL A 93 21.859 -23.951 10.147 1.00 5.25 H new ATOM 1371 N VAL A 94 17.940 -22.044 12.703 1.00 55.10 N ATOM 1372 CA VAL A 94 16.845 -21.153 13.068 1.00 55.12 C ATOM 1373 C VAL A 94 17.371 -19.822 13.594 1.00 33.41 C ATOM 1374 O VAL A 94 17.981 -19.763 14.661 1.00 32.22 O ATOM 1375 CB VAL A 94 15.934 -21.790 14.134 1.00 31.20 C ATOM 1376 CG1 VAL A 94 14.836 -20.822 14.546 1.00 13.14 C ATOM 1377 CG2 VAL A 94 15.341 -23.093 13.618 1.00 3.13 C ATOM 0 H VAL A 94 18.419 -22.470 13.496 1.00 55.10 H new ATOM 0 HA VAL A 94 16.264 -20.978 12.162 1.00 55.12 H new ATOM 0 HB VAL A 94 16.536 -22.015 15.014 1.00 31.20 H new ATOM 0 HG11 VAL A 94 14.203 -21.290 15.300 1.00 13.14 H new ATOM 0 HG12 VAL A 94 15.284 -19.918 14.959 1.00 13.14 H new ATOM 0 HG13 VAL A 94 14.233 -20.563 13.675 1.00 13.14 H new ATOM 0 HG21 VAL A 94 14.700 -23.530 14.384 1.00 3.13 H new ATOM 0 HG22 VAL A 94 14.753 -22.895 12.722 1.00 3.13 H new ATOM 0 HG23 VAL A 94 16.145 -23.789 13.378 1.00 3.13 H new ATOM 1387 N MET A 95 17.130 -18.756 12.838 1.00 33.30 N ATOM 1388 CA MET A 95 17.578 -17.425 13.230 1.00 62.04 C ATOM 1389 C MET A 95 16.575 -16.363 12.792 1.00 14.21 C ATOM 1390 O MET A 95 15.778 -16.586 11.881 1.00 40.04 O ATOM 1391 CB MET A 95 18.951 -17.127 12.623 1.00 32.02 C ATOM 1392 CG MET A 95 19.702 -16.014 13.337 1.00 73.45 C ATOM 1393 SD MET A 95 20.199 -16.473 15.008 1.00 15.52 S ATOM 1394 CE MET A 95 21.949 -16.770 14.772 1.00 72.24 C ATOM 0 H MET A 95 16.627 -18.788 11.951 1.00 33.30 H new ATOM 0 HA MET A 95 17.655 -17.400 14.317 1.00 62.04 H new ATOM 0 HB2 MET A 95 19.554 -18.035 12.646 1.00 32.02 H new ATOM 0 HB3 MET A 95 18.825 -16.855 11.575 1.00 32.02 H new ATOM 0 HG2 MET A 95 20.587 -15.749 12.759 1.00 73.45 H new ATOM 0 HG3 MET A 95 19.072 -15.126 13.381 1.00 73.45 H new ATOM 0 HE1 MET A 95 22.399 -17.064 15.720 1.00 72.24 H new ATOM 0 HE2 MET A 95 22.088 -17.567 14.042 1.00 72.24 H new ATOM 0 HE3 MET A 95 22.427 -15.860 14.410 1.00 72.24 H new ATOM 1404 N SER A 96 16.619 -15.207 13.448 1.00 72.50 N ATOM 1405 CA SER A 96 15.710 -14.112 13.129 1.00 24.31 C ATOM 1406 C SER A 96 16.433 -12.770 13.196 1.00 71.22 C ATOM 1407 O SER A 96 17.115 -12.468 14.175 1.00 55.02 O ATOM 1408 CB SER A 96 14.520 -14.112 14.091 1.00 65.22 C ATOM 1409 OG SER A 96 14.895 -13.621 15.366 1.00 45.21 O ATOM 0 H SER A 96 17.274 -15.005 14.203 1.00 72.50 H new ATOM 0 HA SER A 96 15.346 -14.259 12.112 1.00 24.31 H new ATOM 0 HB2 SER A 96 13.718 -13.497 13.682 1.00 65.22 H new ATOM 0 HB3 SER A 96 14.127 -15.124 14.189 1.00 65.22 H new ATOM 0 HG SER A 96 14.117 -13.630 15.962 1.00 45.21 H new ATOM 1415 N ALA A 97 16.278 -11.969 12.147 1.00 60.23 N ATOM 1416 CA ALA A 97 16.913 -10.659 12.086 1.00 43.31 C ATOM 1417 C ALA A 97 15.995 -9.634 11.429 1.00 42.42 C ATOM 1418 O ALA A 97 15.316 -9.932 10.446 1.00 34.32 O ATOM 1419 CB ALA A 97 18.233 -10.746 11.334 1.00 22.42 C ATOM 0 H ALA A 97 15.718 -12.205 11.328 1.00 60.23 H new ATOM 0 HA ALA A 97 17.110 -10.331 13.107 1.00 43.31 H new ATOM 0 HB1 ALA A 97 18.696 -9.760 11.296 1.00 22.42 H new ATOM 0 HB2 ALA A 97 18.899 -11.440 11.847 1.00 22.42 H new ATOM 0 HB3 ALA A 97 18.051 -11.100 10.319 1.00 22.42 H new ATOM 1425 N THR A 98 15.979 -8.423 11.978 1.00 53.23 N ATOM 1426 CA THR A 98 15.143 -7.354 11.446 1.00 34.01 C ATOM 1427 C THR A 98 15.833 -6.639 10.291 1.00 44.51 C ATOM 1428 O THR A 98 16.982 -6.211 10.411 1.00 20.31 O ATOM 1429 CB THR A 98 14.788 -6.324 12.535 1.00 44.41 C ATOM 1430 OG1 THR A 98 14.094 -6.966 13.610 1.00 50.11 O ATOM 1431 CG2 THR A 98 13.927 -5.207 11.964 1.00 64.13 C ATOM 0 H THR A 98 16.536 -8.158 12.791 1.00 53.23 H new ATOM 0 HA THR A 98 14.226 -7.820 11.085 1.00 34.01 H new ATOM 0 HB THR A 98 15.715 -5.891 12.910 1.00 44.41 H new ATOM 0 HG1 THR A 98 13.874 -6.304 14.299 1.00 50.11 H new ATOM 0 HG21 THR A 98 13.689 -4.492 12.752 1.00 64.13 H new ATOM 0 HG22 THR A 98 14.470 -4.701 11.166 1.00 64.13 H new ATOM 0 HG23 THR A 98 13.004 -5.627 11.565 1.00 64.13 H new ATOM 1439 N ILE A 99 15.127 -6.511 9.173 1.00 53.40 N ATOM 1440 CA ILE A 99 15.672 -5.845 7.997 1.00 44.32 C ATOM 1441 C ILE A 99 14.904 -4.565 7.683 1.00 31.53 C ATOM 1442 O ILE A 99 13.681 -4.582 7.543 1.00 11.41 O ATOM 1443 CB ILE A 99 15.640 -6.765 6.763 1.00 73.43 C ATOM 1444 CG1 ILE A 99 16.192 -8.148 7.116 1.00 40.11 C ATOM 1445 CG2 ILE A 99 16.433 -6.148 5.620 1.00 33.34 C ATOM 1446 CD1 ILE A 99 16.269 -9.088 5.933 1.00 30.14 C ATOM 0 H ILE A 99 14.176 -6.860 9.057 1.00 53.40 H new ATOM 0 HA ILE A 99 16.708 -5.597 8.228 1.00 44.32 H new ATOM 0 HB ILE A 99 14.605 -6.879 6.441 1.00 73.43 H new ATOM 0 HG12 ILE A 99 17.188 -8.034 7.545 1.00 40.11 H new ATOM 0 HG13 ILE A 99 15.563 -8.596 7.885 1.00 40.11 H new ATOM 0 HG21 ILE A 99 16.400 -6.811 4.755 1.00 33.34 H new ATOM 0 HG22 ILE A 99 15.999 -5.184 5.355 1.00 33.34 H new ATOM 0 HG23 ILE A 99 17.468 -6.007 5.930 1.00 33.34 H new ATOM 0 HD11 ILE A 99 16.669 -10.049 6.257 1.00 30.14 H new ATOM 0 HD12 ILE A 99 15.272 -9.232 5.517 1.00 30.14 H new ATOM 0 HD13 ILE A 99 16.922 -8.662 5.171 1.00 30.14 H new ATOM 1458 N VAL A 100 15.630 -3.457 7.573 1.00 72.44 N ATOM 1459 CA VAL A 100 15.017 -2.169 7.272 1.00 3.13 C ATOM 1460 C VAL A 100 15.392 -1.695 5.872 1.00 35.43 C ATOM 1461 O VAL A 100 16.547 -1.367 5.605 1.00 64.05 O ATOM 1462 CB VAL A 100 15.437 -1.096 8.295 1.00 41.04 C ATOM 1463 CG1 VAL A 100 16.951 -1.054 8.433 1.00 3.22 C ATOM 1464 CG2 VAL A 100 14.892 0.266 7.891 1.00 22.21 C ATOM 0 H VAL A 100 16.643 -3.426 7.688 1.00 72.44 H new ATOM 0 HA VAL A 100 13.938 -2.311 7.327 1.00 3.13 H new ATOM 0 HB VAL A 100 15.015 -1.358 9.265 1.00 41.04 H new ATOM 0 HG11 VAL A 100 17.229 -0.291 9.160 1.00 3.22 H new ATOM 0 HG12 VAL A 100 17.313 -2.025 8.771 1.00 3.22 H new ATOM 0 HG13 VAL A 100 17.398 -0.816 7.468 1.00 3.22 H new ATOM 0 HG21 VAL A 100 15.198 1.012 8.624 1.00 22.21 H new ATOM 0 HG22 VAL A 100 15.284 0.538 6.911 1.00 22.21 H new ATOM 0 HG23 VAL A 100 13.804 0.224 7.848 1.00 22.21 H new ATOM 1474 N VAL A 101 14.405 -1.662 4.981 1.00 24.15 N ATOM 1475 CA VAL A 101 14.630 -1.227 3.608 1.00 2.02 C ATOM 1476 C VAL A 101 14.125 0.195 3.393 1.00 41.24 C ATOM 1477 O VAL A 101 13.070 0.574 3.899 1.00 33.20 O ATOM 1478 CB VAL A 101 13.937 -2.164 2.602 1.00 72.42 C ATOM 1479 CG1 VAL A 101 14.351 -1.821 1.179 1.00 23.21 C ATOM 1480 CG2 VAL A 101 14.253 -3.617 2.922 1.00 25.43 C ATOM 0 H VAL A 101 13.443 -1.931 5.186 1.00 24.15 H new ATOM 0 HA VAL A 101 15.706 -1.257 3.438 1.00 2.02 H new ATOM 0 HB VAL A 101 12.859 -2.024 2.685 1.00 72.42 H new ATOM 0 HG11 VAL A 101 13.851 -2.494 0.482 1.00 23.21 H new ATOM 0 HG12 VAL A 101 14.068 -0.792 0.956 1.00 23.21 H new ATOM 0 HG13 VAL A 101 15.431 -1.931 1.078 1.00 23.21 H new ATOM 0 HG21 VAL A 101 13.755 -4.265 2.201 1.00 25.43 H new ATOM 0 HG22 VAL A 101 15.330 -3.775 2.869 1.00 25.43 H new ATOM 0 HG23 VAL A 101 13.901 -3.853 3.926 1.00 25.43 H new ATOM 1490 N GLY A 102 14.887 0.980 2.636 1.00 32.12 N ATOM 1491 CA GLY A 102 14.500 2.352 2.366 1.00 12.21 C ATOM 1492 C GLY A 102 14.016 2.549 0.943 1.00 23.10 C ATOM 1493 O GLY A 102 14.801 2.470 -0.002 1.00 33.13 O ATOM 0 H GLY A 102 15.765 0.690 2.205 1.00 32.12 H new ATOM 0 HA2 GLY A 102 13.712 2.647 3.059 1.00 12.21 H new ATOM 0 HA3 GLY A 102 15.350 3.009 2.552 1.00 12.21 H new ATOM 1497 N GLU A 103 12.721 2.804 0.790 1.00 54.23 N ATOM 1498 CA GLU A 103 12.134 3.010 -0.529 1.00 62.14 C ATOM 1499 C GLU A 103 12.158 4.487 -0.911 1.00 50.20 C ATOM 1500 O GLU A 103 12.358 4.836 -2.075 1.00 55.34 O ATOM 1501 CB GLU A 103 10.696 2.487 -0.560 1.00 5.11 C ATOM 1502 CG GLU A 103 10.599 0.988 -0.790 1.00 55.43 C ATOM 1503 CD GLU A 103 11.641 0.209 -0.012 1.00 41.23 C ATOM 1504 OE1 GLU A 103 12.778 0.079 -0.512 1.00 23.30 O ATOM 1505 OE2 GLU A 103 11.320 -0.270 1.095 1.00 23.11 O ATOM 0 H GLU A 103 12.058 2.873 1.562 1.00 54.23 H new ATOM 0 HA GLU A 103 12.730 2.455 -1.254 1.00 62.14 H new ATOM 0 HB2 GLU A 103 10.208 2.734 0.383 1.00 5.11 H new ATOM 0 HB3 GLU A 103 10.147 3.003 -1.348 1.00 5.11 H new ATOM 0 HG2 GLU A 103 9.605 0.644 -0.504 1.00 55.43 H new ATOM 0 HG3 GLU A 103 10.714 0.779 -1.854 1.00 55.43 H new