USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 454 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 39 SER OG : rot -75:sc= 1.84 USER MOD Set 1.2: A 40 GLN : amide:sc= 0.607 K(o=2.4,f=1.1) USER MOD Set 2.1: A 23 ASN : amide:sc= -1.19 X(o=-22,f=-22!) USER MOD Set 2.2: A 26 GLN : amide:sc= -13.7! C(o=-22!,f=-15!) USER MOD Set 2.3: A 55 GLN : amide:sc= -6.73! C(o=-22!,f=-20!) USER MOD Set 3.1: A 21 ASN : amide:sc= -3.44! K(o=-7!,f=-3) USER MOD Set 3.2: A 52 ASN : amide:sc= -3.52! C(o=-7!,f=-11!) USER MOD Set 4.1: A 1 VAL N :NH3+ -174:sc= 0.303 (180deg=-0.546) USER MOD Set 4.2: A 3 ASN : amide:sc= 0.983 K(o=1.3,f=-7.4!) USER MOD Single : A 4 LYS NZ :NH3+ -165:sc=-0.000988 (180deg=-0.27) USER MOD Single : A 6 ASN : amide:sc=-0.00761 X(o=-0.0076,f=-0.0076) USER MOD Single : A 7 LYS NZ :NH3+ -109:sc= 0.754 (180deg=-2.82!) USER MOD Single : A 13 THR OG1 : rot 100:sc= 0.612 USER MOD Single : A 18 ASN : amide:sc= -2.97 K(o=-3,f=-0.99) USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= 0.316 (180deg=-0.276) USER MOD Single : A 33 SER OG : rot 75:sc= 1.21 USER MOD Single : A 41 SER OG : rot -118:sc= 0.777 USER MOD Single : A 43 ASN : amide:sc= -0.0485 K(o=-0.048,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.17) USER MOD Single : A 58 LYS NZ :NH3+ -117:sc= -0.503 (180deg=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 16.096 -15.680 -0.643 1.00 0.00 N ATOM 2 CA VAL A 1 15.772 -16.461 0.586 1.00 0.00 C ATOM 3 C VAL A 1 15.870 -15.543 1.806 1.00 0.00 C ATOM 4 O VAL A 1 15.039 -15.612 2.714 1.00 0.00 O ATOM 5 CB VAL A 1 16.743 -17.655 0.710 1.00 0.00 C ATOM 6 CG1 VAL A 1 18.194 -17.163 0.834 1.00 0.00 C ATOM 7 CG2 VAL A 1 16.381 -18.495 1.944 1.00 0.00 C ATOM 0 H1 VAL A 1 15.932 -16.271 -1.483 1.00 0.00 H new ATOM 0 H2 VAL A 1 15.488 -14.837 -0.689 1.00 0.00 H new ATOM 0 H3 VAL A 1 17.093 -15.387 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 1 14.756 -16.852 0.526 1.00 0.00 H new ATOM 0 HB VAL A 1 16.654 -18.266 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 1 18.863 -18.020 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 1 18.459 -16.584 -0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 1 18.291 -16.536 1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 1 17.069 -19.336 2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 1 16.454 -17.877 2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 1 15.362 -18.869 1.844 1.00 0.00 H new ATOM 19 N ASP A 2 16.887 -14.680 1.806 1.00 0.00 N ATOM 20 CA ASP A 2 17.098 -13.735 2.903 1.00 0.00 C ATOM 21 C ASP A 2 15.896 -12.802 3.040 1.00 0.00 C ATOM 22 O ASP A 2 15.529 -12.397 4.145 1.00 0.00 O ATOM 23 CB ASP A 2 18.361 -12.908 2.630 1.00 0.00 C ATOM 24 CG ASP A 2 18.167 -12.053 1.376 1.00 0.00 C ATOM 25 OD1 ASP A 2 18.271 -12.597 0.287 1.00 0.00 O ATOM 26 OD2 ASP A 2 17.900 -10.871 1.523 1.00 0.00 O ATOM 0 H ASP A 2 17.578 -14.616 1.058 1.00 0.00 H new ATOM 0 HA ASP A 2 17.217 -14.293 3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 2 18.579 -12.269 3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 2 19.218 -13.569 2.500 1.00 0.00 H new ATOM 31 N ASN A 3 15.296 -12.470 1.897 1.00 0.00 N ATOM 32 CA ASN A 3 14.136 -11.587 1.863 1.00 0.00 C ATOM 33 C ASN A 3 12.918 -12.280 2.474 1.00 0.00 C ATOM 34 O ASN A 3 12.443 -13.296 1.960 1.00 0.00 O ATOM 35 CB ASN A 3 13.840 -11.170 0.415 1.00 0.00 C ATOM 36 CG ASN A 3 13.686 -12.400 -0.482 1.00 0.00 C ATOM 37 OD1 ASN A 3 14.629 -13.174 -0.650 1.00 0.00 O ATOM 38 ND2 ASN A 3 12.542 -12.630 -1.065 1.00 0.00 N ATOM 0 H ASN A 3 15.597 -12.802 0.981 1.00 0.00 H new ATOM 0 HA ASN A 3 14.356 -10.696 2.451 1.00 0.00 H new ATOM 0 HB2 ASN A 3 12.928 -10.574 0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 3 14.647 -10.540 0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.429 -13.451 -1.660 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.761 -11.989 -0.926 1.00 0.00 H new ATOM 45 N LYS A 4 12.427 -11.721 3.579 1.00 0.00 N ATOM 46 CA LYS A 4 11.266 -12.275 4.275 1.00 0.00 C ATOM 47 C LYS A 4 9.999 -11.551 3.858 1.00 0.00 C ATOM 48 O LYS A 4 10.037 -10.418 3.375 1.00 0.00 O ATOM 49 CB LYS A 4 11.456 -12.161 5.792 1.00 0.00 C ATOM 50 CG LYS A 4 12.651 -13.019 6.226 1.00 0.00 C ATOM 51 CD LYS A 4 12.772 -13.006 7.756 1.00 0.00 C ATOM 52 CE LYS A 4 14.030 -13.773 8.184 1.00 0.00 C ATOM 53 NZ LYS A 4 13.876 -15.216 7.839 1.00 0.00 N ATOM 0 H LYS A 4 12.816 -10.883 4.012 1.00 0.00 H new ATOM 0 HA LYS A 4 11.172 -13.327 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.622 -11.120 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.553 -12.489 6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.524 -14.042 5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.567 -12.637 5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.821 -11.979 8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.888 -13.460 8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.907 -13.361 7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.190 -13.660 9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.595 -15.772 8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.928 -15.540 8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.998 -15.343 6.814 1.00 0.00 H new ATOM 67 N PHE A 5 8.882 -12.241 4.033 1.00 0.00 N ATOM 68 CA PHE A 5 7.579 -11.710 3.664 1.00 0.00 C ATOM 69 C PHE A 5 7.268 -10.405 4.368 1.00 0.00 C ATOM 70 O PHE A 5 6.661 -9.510 3.784 1.00 0.00 O ATOM 71 CB PHE A 5 6.499 -12.738 3.997 1.00 0.00 C ATOM 72 CG PHE A 5 5.643 -12.947 2.783 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.112 -13.752 1.741 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.392 -12.332 2.696 1.00 0.00 C ATOM 75 CE1 PHE A 5 5.320 -13.947 0.604 1.00 0.00 C ATOM 76 CE2 PHE A 5 3.597 -12.526 1.560 1.00 0.00 C ATOM 77 CZ PHE A 5 4.062 -13.334 0.513 1.00 0.00 C ATOM 0 H PHE A 5 8.853 -13.179 4.432 1.00 0.00 H new ATOM 0 HA PHE A 5 7.598 -11.508 2.593 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.955 -13.679 4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.891 -12.390 4.833 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.082 -14.222 1.813 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.039 -11.708 3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.677 -14.569 -0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.628 -12.054 1.490 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.451 -13.485 -0.365 1.00 0.00 H new ATOM 87 N ASN A 6 7.670 -10.312 5.622 1.00 0.00 N ATOM 88 CA ASN A 6 7.412 -9.112 6.412 1.00 0.00 C ATOM 89 C ASN A 6 7.986 -7.872 5.725 1.00 0.00 C ATOM 90 O ASN A 6 7.410 -6.786 5.806 1.00 0.00 O ATOM 91 CB ASN A 6 8.024 -9.241 7.802 1.00 0.00 C ATOM 92 CG ASN A 6 7.450 -10.457 8.525 1.00 0.00 C ATOM 93 OD1 ASN A 6 8.192 -11.369 8.891 1.00 0.00 O ATOM 94 ND2 ASN A 6 6.168 -10.525 8.755 1.00 0.00 N ATOM 0 H ASN A 6 8.175 -11.047 6.118 1.00 0.00 H new ATOM 0 HA ASN A 6 6.331 -9.003 6.501 1.00 0.00 H new ATOM 0 HB2 ASN A 6 9.107 -9.335 7.722 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.824 -8.339 8.380 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.779 -11.334 9.239 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.555 -9.769 8.451 1.00 0.00 H new ATOM 101 N LYS A 7 9.124 -8.050 5.050 1.00 0.00 N ATOM 102 CA LYS A 7 9.777 -6.945 4.346 1.00 0.00 C ATOM 103 C LYS A 7 8.841 -6.368 3.291 1.00 0.00 C ATOM 104 O LYS A 7 8.839 -5.165 3.034 1.00 0.00 O ATOM 105 CB LYS A 7 11.067 -7.433 3.671 1.00 0.00 C ATOM 106 CG LYS A 7 12.037 -7.987 4.724 1.00 0.00 C ATOM 107 CD LYS A 7 13.356 -8.384 4.049 1.00 0.00 C ATOM 108 CE LYS A 7 14.267 -9.092 5.059 1.00 0.00 C ATOM 109 NZ LYS A 7 15.505 -9.560 4.373 1.00 0.00 N ATOM 0 H LYS A 7 9.610 -8.944 4.976 1.00 0.00 H new ATOM 0 HA LYS A 7 10.023 -6.171 5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.833 -8.206 2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.536 -6.612 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.222 -7.237 5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.596 -8.851 5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.158 -9.041 3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.854 -7.498 3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.524 -8.412 5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.744 -9.938 5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.488 -10.597 4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.554 -9.142 3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.338 -9.268 4.923 1.00 0.00 H new ATOM 123 N GLU A 8 8.050 -7.254 2.695 1.00 0.00 N ATOM 124 CA GLU A 8 7.090 -6.877 1.658 1.00 0.00 C ATOM 125 C GLU A 8 6.062 -5.887 2.199 1.00 0.00 C ATOM 126 O GLU A 8 5.578 -5.017 1.471 1.00 0.00 O ATOM 127 CB GLU A 8 6.379 -8.134 1.134 1.00 0.00 C ATOM 128 CG GLU A 8 5.551 -7.803 -0.123 1.00 0.00 C ATOM 129 CD GLU A 8 4.766 -9.032 -0.615 1.00 0.00 C ATOM 130 OE1 GLU A 8 4.607 -9.978 0.146 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.330 -9.006 -1.753 1.00 0.00 O ATOM 0 H GLU A 8 8.054 -8.250 2.914 1.00 0.00 H new ATOM 0 HA GLU A 8 7.631 -6.395 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.114 -8.904 0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.728 -8.540 1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.858 -6.991 0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.212 -7.451 -0.914 1.00 0.00 H new ATOM 138 N LEU A 9 5.731 -6.032 3.475 1.00 0.00 N ATOM 139 CA LEU A 9 4.754 -5.151 4.104 1.00 0.00 C ATOM 140 C LEU A 9 5.325 -3.758 4.289 1.00 0.00 C ATOM 141 O LEU A 9 4.616 -2.770 4.117 1.00 0.00 O ATOM 142 CB LEU A 9 4.300 -5.704 5.464 1.00 0.00 C ATOM 143 CG LEU A 9 3.430 -6.949 5.253 1.00 0.00 C ATOM 144 CD1 LEU A 9 4.307 -8.102 4.765 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.749 -7.339 6.569 1.00 0.00 C ATOM 0 H LEU A 9 6.121 -6.745 4.092 1.00 0.00 H new ATOM 0 HA LEU A 9 3.890 -5.098 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.168 -5.955 6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.738 -4.944 6.007 1.00 0.00 H new ATOM 0 HG LEU A 9 2.664 -6.732 4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.691 -8.989 4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.781 -7.825 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.074 -8.316 5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.133 -8.224 6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.508 -7.554 7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.121 -6.516 6.912 1.00 0.00 H new ATOM 157 N GLY A 10 6.621 -3.683 4.598 1.00 0.00 N ATOM 158 CA GLY A 10 7.277 -2.400 4.759 1.00 0.00 C ATOM 159 C GLY A 10 7.501 -1.820 3.388 1.00 0.00 C ATOM 160 O GLY A 10 7.519 -0.603 3.196 1.00 0.00 O ATOM 0 H GLY A 10 7.226 -4.492 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.663 -1.730 5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.226 -2.519 5.282 1.00 0.00 H new ATOM 164 N TRP A 11 7.673 -2.736 2.437 1.00 0.00 N ATOM 165 CA TRP A 11 7.908 -2.379 1.065 1.00 0.00 C ATOM 166 C TRP A 11 6.715 -1.652 0.469 1.00 0.00 C ATOM 167 O TRP A 11 6.851 -0.560 -0.073 1.00 0.00 O ATOM 168 CB TRP A 11 8.166 -3.650 0.257 1.00 0.00 C ATOM 169 CG TRP A 11 8.750 -3.255 -1.038 1.00 0.00 C ATOM 170 CD1 TRP A 11 9.994 -2.793 -1.176 1.00 0.00 C ATOM 171 CD2 TRP A 11 8.146 -3.256 -2.356 1.00 0.00 C ATOM 172 NE1 TRP A 11 10.208 -2.485 -2.508 1.00 0.00 N ATOM 173 CE2 TRP A 11 9.095 -2.768 -3.279 1.00 0.00 C ATOM 174 CE3 TRP A 11 6.880 -3.632 -2.834 1.00 0.00 C ATOM 175 CZ2 TRP A 11 8.800 -2.654 -4.637 1.00 0.00 C ATOM 176 CZ3 TRP A 11 6.578 -3.521 -4.199 1.00 0.00 C ATOM 177 CH2 TRP A 11 7.537 -3.034 -5.101 1.00 0.00 C ATOM 0 H TRP A 11 7.651 -3.741 2.609 1.00 0.00 H new ATOM 0 HA TRP A 11 8.771 -1.714 1.028 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.844 -4.313 0.795 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.237 -4.200 0.105 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.715 -2.678 -0.380 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.077 -2.098 -2.875 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.136 -4.008 -2.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.541 -2.275 -5.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.602 -3.812 -4.558 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.300 -2.953 -6.151 1.00 0.00 H new ATOM 188 N ALA A 12 5.545 -2.265 0.581 1.00 0.00 N ATOM 189 CA ALA A 12 4.334 -1.668 0.046 1.00 0.00 C ATOM 190 C ALA A 12 3.934 -0.428 0.824 1.00 0.00 C ATOM 191 O ALA A 12 3.342 0.491 0.270 1.00 0.00 O ATOM 192 CB ALA A 12 3.193 -2.667 0.067 1.00 0.00 C ATOM 0 H ALA A 12 5.411 -3.169 1.034 1.00 0.00 H new ATOM 0 HA ALA A 12 4.543 -1.377 -0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.294 -2.201 -0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.457 -3.534 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.007 -2.985 1.093 1.00 0.00 H new ATOM 198 N THR A 13 4.241 -0.413 2.116 1.00 0.00 N ATOM 199 CA THR A 13 3.871 0.721 2.945 1.00 0.00 C ATOM 200 C THR A 13 4.520 1.958 2.410 1.00 0.00 C ATOM 201 O THR A 13 3.848 2.955 2.211 1.00 0.00 O ATOM 202 CB THR A 13 4.304 0.525 4.406 1.00 0.00 C ATOM 203 OG1 THR A 13 3.592 -0.566 4.967 1.00 0.00 O ATOM 204 CG2 THR A 13 4.013 1.807 5.209 1.00 0.00 C ATOM 0 H THR A 13 4.736 -1.160 2.603 1.00 0.00 H new ATOM 0 HA THR A 13 2.785 0.812 2.920 1.00 0.00 H new ATOM 0 HB THR A 13 5.373 0.315 4.444 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.160 -1.365 4.962 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.321 1.665 6.245 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.566 2.641 4.777 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.945 2.024 5.174 1.00 0.00 H new ATOM 212 N TRP A 14 5.824 1.870 2.157 1.00 0.00 N ATOM 213 CA TRP A 14 6.553 3.000 1.630 1.00 0.00 C ATOM 214 C TRP A 14 6.063 3.333 0.211 1.00 0.00 C ATOM 215 O TRP A 14 5.926 4.506 -0.127 1.00 0.00 O ATOM 216 CB TRP A 14 8.073 2.755 1.759 1.00 0.00 C ATOM 217 CG TRP A 14 8.615 1.892 0.674 1.00 0.00 C ATOM 218 CD1 TRP A 14 9.148 0.670 0.870 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.722 2.162 -0.746 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.522 0.148 -0.348 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.279 1.028 -1.372 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.371 3.259 -1.548 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.475 0.983 -2.740 1.00 0.00 C ATOM 224 CZ3 TRP A 14 8.567 3.216 -2.925 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.112 2.080 -3.517 1.00 0.00 C ATOM 0 H TRP A 14 6.385 1.032 2.310 1.00 0.00 H new ATOM 0 HA TRP A 14 6.354 3.897 2.217 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.593 3.713 1.748 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.281 2.291 2.723 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.263 0.180 1.826 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.929 -0.779 -0.473 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.946 4.142 -1.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.905 0.106 -3.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.296 4.065 -3.535 1.00 0.00 H new ATOM 0 HH2 TRP A 14 9.254 2.049 -4.587 1.00 0.00 H new ATOM 236 N GLU A 15 5.760 2.305 -0.608 1.00 0.00 N ATOM 237 CA GLU A 15 5.260 2.533 -1.968 1.00 0.00 C ATOM 238 C GLU A 15 3.967 3.357 -1.957 1.00 0.00 C ATOM 239 O GLU A 15 3.822 4.332 -2.697 1.00 0.00 O ATOM 240 CB GLU A 15 4.913 1.177 -2.578 1.00 0.00 C ATOM 241 CG GLU A 15 6.142 0.290 -2.758 1.00 0.00 C ATOM 242 CD GLU A 15 6.281 -0.146 -4.219 1.00 0.00 C ATOM 243 OE1 GLU A 15 5.379 -0.803 -4.710 1.00 0.00 O ATOM 244 OE2 GLU A 15 7.287 0.178 -4.825 1.00 0.00 O ATOM 0 H GLU A 15 5.853 1.322 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 15 6.027 3.065 -2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.191 0.668 -1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.432 1.328 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.036 0.830 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.061 -0.588 -2.117 1.00 0.00 H new ATOM 251 N ILE A 16 3.044 2.937 -1.109 1.00 0.00 N ATOM 252 CA ILE A 16 1.739 3.584 -0.950 1.00 0.00 C ATOM 253 C ILE A 16 1.915 4.911 -0.229 1.00 0.00 C ATOM 254 O ILE A 16 1.311 5.923 -0.582 1.00 0.00 O ATOM 255 CB ILE A 16 0.872 2.599 -0.164 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.807 1.313 -1.002 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.548 3.148 0.101 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.073 0.234 -0.231 1.00 0.00 C ATOM 0 H ILE A 16 3.175 2.128 -0.501 1.00 0.00 H new ATOM 0 HA ILE A 16 1.263 3.815 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 16 1.308 2.420 0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.298 1.508 -1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.814 0.976 -1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.124 2.412 0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.480 4.071 0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.043 3.349 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.030 -0.676 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.600 0.030 0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.940 0.571 -0.009 1.00 0.00 H new ATOM 270 N PHE A 17 2.789 4.880 0.759 1.00 0.00 N ATOM 271 CA PHE A 17 3.137 6.065 1.549 1.00 0.00 C ATOM 272 C PHE A 17 3.714 7.171 0.651 1.00 0.00 C ATOM 273 O PHE A 17 3.708 8.344 1.028 1.00 0.00 O ATOM 274 CB PHE A 17 4.204 5.671 2.584 1.00 0.00 C ATOM 275 CG PHE A 17 3.628 5.222 3.912 1.00 0.00 C ATOM 276 CD1 PHE A 17 2.277 4.935 4.045 1.00 0.00 C ATOM 277 CD2 PHE A 17 4.472 5.109 5.027 1.00 0.00 C ATOM 278 CE1 PHE A 17 1.762 4.543 5.289 1.00 0.00 C ATOM 279 CE2 PHE A 17 3.959 4.723 6.267 1.00 0.00 C ATOM 280 CZ PHE A 17 2.601 4.442 6.399 1.00 0.00 C ATOM 0 H PHE A 17 3.284 4.035 1.044 1.00 0.00 H new ATOM 0 HA PHE A 17 2.236 6.438 2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.817 4.868 2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.865 6.521 2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.622 5.014 3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.526 5.322 4.926 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.710 4.318 5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.614 4.642 7.122 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.199 4.147 7.357 1.00 0.00 H new ATOM 290 N ASN A 18 4.223 6.785 -0.527 1.00 0.00 N ATOM 291 CA ASN A 18 4.820 7.746 -1.460 1.00 0.00 C ATOM 292 C ASN A 18 3.776 8.326 -2.412 1.00 0.00 C ATOM 293 O ASN A 18 4.130 8.937 -3.425 1.00 0.00 O ATOM 294 CB ASN A 18 5.940 7.072 -2.275 1.00 0.00 C ATOM 295 CG ASN A 18 7.160 6.776 -1.401 1.00 0.00 C ATOM 296 OD1 ASN A 18 8.221 6.436 -1.922 1.00 0.00 O ATOM 297 ND2 ASN A 18 7.079 6.875 -0.102 1.00 0.00 N ATOM 0 H ASN A 18 4.233 5.819 -0.854 1.00 0.00 H new ATOM 0 HA ASN A 18 5.236 8.562 -0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.568 6.145 -2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.231 7.719 -3.103 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.894 6.671 0.477 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.201 7.157 0.334 1.00 0.00 H new ATOM 304 N LEU A 19 2.494 8.148 -2.088 1.00 0.00 N ATOM 305 CA LEU A 19 1.438 8.673 -2.934 1.00 0.00 C ATOM 306 C LEU A 19 1.109 10.087 -2.517 1.00 0.00 C ATOM 307 O LEU A 19 0.752 10.327 -1.361 1.00 0.00 O ATOM 308 CB LEU A 19 0.194 7.795 -2.855 1.00 0.00 C ATOM 309 CG LEU A 19 0.424 6.483 -3.623 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.905 5.807 -3.927 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.120 6.751 -4.947 1.00 0.00 C ATOM 0 H LEU A 19 2.172 7.651 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 19 1.785 8.675 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.043 7.579 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.662 8.325 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 19 1.043 5.841 -2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.725 4.880 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.423 5.586 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.520 6.471 -4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.273 5.810 -5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.502 7.412 -5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.084 7.224 -4.762 1.00 0.00 H new ATOM 323 N PRO A 20 1.263 11.039 -3.410 1.00 0.00 N ATOM 324 CA PRO A 20 1.021 12.450 -3.077 1.00 0.00 C ATOM 325 C PRO A 20 -0.453 12.857 -2.963 1.00 0.00 C ATOM 326 O PRO A 20 -0.729 14.054 -2.840 1.00 0.00 O ATOM 327 CB PRO A 20 1.708 13.248 -4.203 1.00 0.00 C ATOM 328 CG PRO A 20 2.305 12.249 -5.141 1.00 0.00 C ATOM 329 CD PRO A 20 1.688 10.894 -4.813 1.00 0.00 C ATOM 0 HA PRO A 20 1.417 12.650 -2.081 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.989 13.882 -4.721 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.478 13.904 -3.797 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.101 12.524 -6.176 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.389 12.215 -5.028 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.845 10.668 -5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.409 10.085 -4.932 1.00 0.00 H new ATOM 337 N ASN A 21 -1.410 11.910 -3.015 1.00 0.00 N ATOM 338 CA ASN A 21 -2.814 12.304 -2.928 1.00 0.00 C ATOM 339 C ASN A 21 -3.551 11.534 -1.842 1.00 0.00 C ATOM 340 O ASN A 21 -4.655 11.913 -1.464 1.00 0.00 O ATOM 341 CB ASN A 21 -3.493 12.089 -4.283 1.00 0.00 C ATOM 342 CG ASN A 21 -2.761 12.862 -5.379 1.00 0.00 C ATOM 343 OD1 ASN A 21 -2.388 14.019 -5.188 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.542 12.291 -6.529 1.00 0.00 N ATOM 0 H ASN A 21 -1.240 10.909 -3.113 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.852 13.360 -2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.505 11.026 -4.526 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.532 12.416 -4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.062 12.803 -7.269 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.850 11.332 -6.689 1.00 0.00 H new ATOM 351 N LEU A 22 -2.933 10.472 -1.325 1.00 0.00 N ATOM 352 CA LEU A 22 -3.559 9.676 -0.265 1.00 0.00 C ATOM 353 C LEU A 22 -3.740 10.475 1.016 1.00 0.00 C ATOM 354 O LEU A 22 -3.061 11.476 1.253 1.00 0.00 O ATOM 355 CB LEU A 22 -2.699 8.469 0.106 1.00 0.00 C ATOM 356 CG LEU A 22 -2.579 7.464 -1.026 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.787 6.238 -0.529 1.00 0.00 C ATOM 358 CD2 LEU A 22 -3.972 7.006 -1.435 1.00 0.00 C ATOM 0 H LEU A 22 -2.012 10.145 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.524 9.367 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.704 8.811 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.128 7.977 0.979 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.070 7.924 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.697 5.511 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.793 6.552 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.311 5.783 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.894 6.284 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.467 6.541 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.554 7.865 -1.768 1.00 0.00 H new ATOM 370 N ASN A 23 -4.632 9.963 1.860 1.00 0.00 N ATOM 371 CA ASN A 23 -4.901 10.542 3.165 1.00 0.00 C ATOM 372 C ASN A 23 -4.718 9.440 4.210 1.00 0.00 C ATOM 373 O ASN A 23 -4.842 8.258 3.887 1.00 0.00 O ATOM 374 CB ASN A 23 -6.322 11.122 3.216 1.00 0.00 C ATOM 375 CG ASN A 23 -7.346 10.073 2.802 1.00 0.00 C ATOM 376 OD1 ASN A 23 -7.451 9.029 3.434 1.00 0.00 O ATOM 377 ND2 ASN A 23 -8.110 10.289 1.769 1.00 0.00 N ATOM 0 H ASN A 23 -5.188 9.133 1.654 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.213 11.363 3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.541 11.473 4.224 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.392 11.986 2.555 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.796 9.589 1.486 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.022 11.158 1.243 1.00 0.00 H new ATOM 384 N GLY A 24 -4.398 9.830 5.441 1.00 0.00 N ATOM 385 CA GLY A 24 -4.159 8.876 6.533 1.00 0.00 C ATOM 386 C GLY A 24 -5.109 7.674 6.510 1.00 0.00 C ATOM 387 O GLY A 24 -4.725 6.578 6.919 1.00 0.00 O ATOM 0 H GLY A 24 -4.296 10.808 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.131 8.518 6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.263 9.393 7.487 1.00 0.00 H new ATOM 391 N VAL A 25 -6.341 7.877 6.040 1.00 0.00 N ATOM 392 CA VAL A 25 -7.320 6.791 5.984 1.00 0.00 C ATOM 393 C VAL A 25 -7.005 5.803 4.857 1.00 0.00 C ATOM 394 O VAL A 25 -6.992 4.591 5.078 1.00 0.00 O ATOM 395 CB VAL A 25 -8.732 7.365 5.791 1.00 0.00 C ATOM 396 CG1 VAL A 25 -9.758 6.223 5.775 1.00 0.00 C ATOM 397 CG2 VAL A 25 -9.053 8.322 6.945 1.00 0.00 C ATOM 0 H VAL A 25 -6.682 8.775 5.696 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.269 6.251 6.929 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.777 7.903 4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.758 6.634 5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.531 5.541 4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.715 5.682 6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.054 8.731 6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.006 7.781 7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.327 9.135 6.956 1.00 0.00 H new ATOM 407 N GLN A 26 -6.777 6.326 3.648 1.00 0.00 N ATOM 408 CA GLN A 26 -6.496 5.496 2.488 1.00 0.00 C ATOM 409 C GLN A 26 -5.138 4.826 2.584 1.00 0.00 C ATOM 410 O GLN A 26 -5.012 3.634 2.319 1.00 0.00 O ATOM 411 CB GLN A 26 -6.556 6.374 1.244 1.00 0.00 C ATOM 412 CG GLN A 26 -7.986 6.891 1.078 1.00 0.00 C ATOM 413 CD GLN A 26 -8.099 7.825 -0.124 1.00 0.00 C ATOM 414 OE1 GLN A 26 -9.129 8.471 -0.311 1.00 0.00 O ATOM 415 NE2 GLN A 26 -7.108 7.933 -0.959 1.00 0.00 N ATOM 0 H GLN A 26 -6.783 7.327 3.454 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.241 4.702 2.438 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.861 7.208 1.336 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.255 5.805 0.365 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.668 6.050 0.953 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.292 7.418 1.982 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.252 7.399 -0.807 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.186 8.552 -1.766 1.00 0.00 H new ATOM 424 N VAL A 27 -4.128 5.597 2.967 1.00 0.00 N ATOM 425 CA VAL A 27 -2.777 5.060 3.081 1.00 0.00 C ATOM 426 C VAL A 27 -2.774 3.893 4.056 1.00 0.00 C ATOM 427 O VAL A 27 -2.373 2.789 3.713 1.00 0.00 O ATOM 428 CB VAL A 27 -1.853 6.156 3.655 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.419 5.737 3.497 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.016 7.488 2.940 1.00 0.00 C ATOM 0 H VAL A 27 -4.216 6.586 3.202 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.434 4.734 2.099 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.128 6.281 4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.233 6.511 3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.251 4.803 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.197 5.592 2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.344 8.223 3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.776 7.366 1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.046 7.831 3.040 1.00 0.00 H new ATOM 440 N LYS A 28 -3.281 4.164 5.247 1.00 0.00 N ATOM 441 CA LYS A 28 -3.386 3.176 6.310 1.00 0.00 C ATOM 442 C LYS A 28 -4.221 1.998 5.859 1.00 0.00 C ATOM 443 O LYS A 28 -3.928 0.868 6.209 1.00 0.00 O ATOM 444 CB LYS A 28 -4.015 3.796 7.560 1.00 0.00 C ATOM 445 CG LYS A 28 -3.922 2.787 8.709 1.00 0.00 C ATOM 446 CD LYS A 28 -4.589 3.343 9.965 1.00 0.00 C ATOM 447 CE LYS A 28 -4.365 2.362 11.115 1.00 0.00 C ATOM 448 NZ LYS A 28 -5.185 1.136 10.888 1.00 0.00 N ATOM 0 H LYS A 28 -3.635 5.085 5.507 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.380 2.831 6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.499 4.719 7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.056 4.057 7.369 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.401 1.852 8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.877 2.558 8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.171 4.319 10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.656 3.487 9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.309 2.099 11.183 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.640 2.826 12.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.409 0.694 11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.068 1.394 10.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.650 0.465 10.300 1.00 0.00 H new ATOM 462 N ALA A 29 -5.254 2.275 5.072 1.00 0.00 N ATOM 463 CA ALA A 29 -6.117 1.225 4.573 1.00 0.00 C ATOM 464 C ALA A 29 -5.312 0.276 3.712 1.00 0.00 C ATOM 465 O ALA A 29 -5.461 -0.942 3.809 1.00 0.00 O ATOM 466 CB ALA A 29 -7.251 1.826 3.755 1.00 0.00 C ATOM 0 H ALA A 29 -5.509 3.215 4.770 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.541 0.679 5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.895 1.028 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.834 2.501 4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.838 2.380 2.912 1.00 0.00 H new ATOM 472 N PHE A 30 -4.432 0.842 2.886 1.00 0.00 N ATOM 473 CA PHE A 30 -3.596 0.047 2.047 1.00 0.00 C ATOM 474 C PHE A 30 -2.531 -0.607 2.901 1.00 0.00 C ATOM 475 O PHE A 30 -2.208 -1.774 2.699 1.00 0.00 O ATOM 476 CB PHE A 30 -3.020 0.904 0.933 1.00 0.00 C ATOM 477 CG PHE A 30 -4.160 1.540 0.166 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.259 0.763 -0.235 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.139 2.908 -0.119 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.320 1.355 -0.911 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.199 3.492 -0.797 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.289 2.716 -1.192 1.00 0.00 C ATOM 0 H PHE A 30 -4.295 1.849 2.795 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.167 -0.746 1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.369 1.673 1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.410 0.295 0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.280 -0.295 -0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.297 3.511 0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.167 0.759 -1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.180 4.549 -1.019 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.113 3.175 -1.719 1.00 0.00 H new ATOM 492 N ILE A 31 -2.032 0.133 3.906 1.00 0.00 N ATOM 493 CA ILE A 31 -1.055 -0.440 4.820 1.00 0.00 C ATOM 494 C ILE A 31 -1.737 -1.587 5.576 1.00 0.00 C ATOM 495 O ILE A 31 -1.112 -2.595 5.887 1.00 0.00 O ATOM 496 CB ILE A 31 -0.513 0.577 5.863 1.00 0.00 C ATOM 497 CG1 ILE A 31 -0.073 1.942 5.264 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.706 -0.035 6.554 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.448 1.838 3.828 1.00 0.00 C ATOM 0 H ILE A 31 -2.286 1.102 4.096 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.204 -0.773 4.226 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.339 0.776 6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.919 2.629 5.287 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.705 2.373 5.894 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.098 0.667 7.289 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.415 -0.959 7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.475 -0.250 5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.737 2.827 3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.313 1.176 3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.335 1.437 3.185 1.00 0.00 H new ATOM 511 N ASP A 32 -3.038 -1.412 5.856 1.00 0.00 N ATOM 512 CA ASP A 32 -3.820 -2.431 6.565 1.00 0.00 C ATOM 513 C ASP A 32 -4.008 -3.660 5.685 1.00 0.00 C ATOM 514 O ASP A 32 -3.970 -4.796 6.165 1.00 0.00 O ATOM 515 CB ASP A 32 -5.197 -1.870 6.972 1.00 0.00 C ATOM 516 CG ASP A 32 -5.074 -0.782 8.053 1.00 0.00 C ATOM 517 OD1 ASP A 32 -4.048 -0.716 8.716 1.00 0.00 O ATOM 518 OD2 ASP A 32 -6.019 -0.023 8.199 1.00 0.00 O ATOM 0 H ASP A 32 -3.567 -0.577 5.603 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.274 -2.715 7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.695 -1.456 6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.825 -2.681 7.342 1.00 0.00 H new ATOM 523 N SER A 33 -4.209 -3.415 4.391 1.00 0.00 N ATOM 524 CA SER A 33 -4.405 -4.494 3.427 1.00 0.00 C ATOM 525 C SER A 33 -3.171 -5.390 3.361 1.00 0.00 C ATOM 526 O SER A 33 -3.284 -6.593 3.124 1.00 0.00 O ATOM 527 CB SER A 33 -4.706 -3.913 2.050 1.00 0.00 C ATOM 528 OG SER A 33 -5.795 -3.005 2.142 1.00 0.00 O ATOM 0 H SER A 33 -4.240 -2.479 3.987 1.00 0.00 H new ATOM 0 HA SER A 33 -5.251 -5.099 3.752 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.826 -3.402 1.660 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.946 -4.714 1.351 1.00 0.00 H new ATOM 0 HG SER A 33 -5.493 -2.173 2.563 1.00 0.00 H new ATOM 534 N LEU A 34 -1.993 -4.795 3.583 1.00 0.00 N ATOM 535 CA LEU A 34 -0.739 -5.557 3.561 1.00 0.00 C ATOM 536 C LEU A 34 -0.810 -6.682 4.593 1.00 0.00 C ATOM 537 O LEU A 34 -0.432 -7.818 4.322 1.00 0.00 O ATOM 538 CB LEU A 34 0.463 -4.653 3.940 1.00 0.00 C ATOM 539 CG LEU A 34 1.278 -4.203 2.728 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.713 -5.415 1.907 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.431 -3.239 1.902 1.00 0.00 C ATOM 0 H LEU A 34 -1.882 -3.800 3.778 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.603 -5.951 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.096 -3.774 4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.114 -5.193 4.628 1.00 0.00 H new ATOM 0 HG LEU A 34 2.183 -3.689 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.293 -5.082 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.325 -6.072 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.832 -5.957 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.999 -2.909 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.477 -3.744 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.165 -2.375 2.511 1.00 0.00 H new ATOM 553 N ARG A 35 -1.306 -6.336 5.780 1.00 0.00 N ATOM 554 CA ARG A 35 -1.440 -7.305 6.871 1.00 0.00 C ATOM 555 C ARG A 35 -2.477 -8.365 6.514 1.00 0.00 C ATOM 556 O ARG A 35 -2.293 -9.550 6.798 1.00 0.00 O ATOM 557 CB ARG A 35 -1.853 -6.597 8.171 1.00 0.00 C ATOM 558 CG ARG A 35 -0.647 -5.861 8.784 1.00 0.00 C ATOM 559 CD ARG A 35 -0.493 -4.468 8.156 1.00 0.00 C ATOM 560 NE ARG A 35 0.502 -4.507 7.086 1.00 0.00 N ATOM 561 CZ ARG A 35 1.619 -3.789 7.148 1.00 0.00 C ATOM 562 NH1 ARG A 35 2.481 -4.006 8.101 1.00 0.00 N ATOM 563 NH2 ARG A 35 1.856 -2.872 6.254 1.00 0.00 N ATOM 0 H ARG A 35 -1.622 -5.394 6.012 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.474 -7.786 7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.656 -5.888 7.968 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.243 -7.325 8.882 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.779 -5.768 9.862 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.261 -6.442 8.623 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.451 -4.131 7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.192 -3.749 8.917 1.00 0.00 H new ATOM 0 HE ARG A 35 0.335 -5.099 6.272 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.299 -4.727 8.799 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.338 -3.455 8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.184 -2.704 5.505 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.713 -2.322 6.303 1.00 0.00 H new ATOM 577 N ASP A 36 -3.562 -7.918 5.884 1.00 0.00 N ATOM 578 CA ASP A 36 -4.641 -8.811 5.470 1.00 0.00 C ATOM 579 C ASP A 36 -4.126 -9.813 4.443 1.00 0.00 C ATOM 580 O ASP A 36 -4.485 -10.992 4.462 1.00 0.00 O ATOM 581 CB ASP A 36 -5.783 -7.977 4.877 1.00 0.00 C ATOM 582 CG ASP A 36 -6.362 -7.022 5.931 1.00 0.00 C ATOM 583 OD1 ASP A 36 -6.502 -7.431 7.075 1.00 0.00 O ATOM 584 OD2 ASP A 36 -6.666 -5.895 5.577 1.00 0.00 O ATOM 0 H ASP A 36 -3.717 -6.938 5.649 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.010 -9.365 6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.418 -7.406 4.023 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.568 -8.637 4.507 1.00 0.00 H new ATOM 589 N ASP A 37 -3.262 -9.315 3.575 1.00 0.00 N ATOM 590 CA ASP A 37 -2.636 -10.116 2.535 1.00 0.00 C ATOM 591 C ASP A 37 -1.462 -9.342 1.957 1.00 0.00 C ATOM 592 O ASP A 37 -1.640 -8.425 1.151 1.00 0.00 O ATOM 593 CB ASP A 37 -3.637 -10.475 1.427 1.00 0.00 C ATOM 594 CG ASP A 37 -3.124 -11.650 0.577 1.00 0.00 C ATOM 595 OD1 ASP A 37 -1.930 -11.922 0.602 1.00 0.00 O ATOM 596 OD2 ASP A 37 -3.936 -12.254 -0.103 1.00 0.00 O ATOM 0 H ASP A 37 -2.973 -8.337 3.571 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.285 -11.051 2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.598 -10.735 1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.805 -9.607 0.789 1.00 0.00 H new ATOM 601 N PRO A 38 -0.271 -9.673 2.383 1.00 0.00 N ATOM 602 CA PRO A 38 0.958 -8.979 1.934 1.00 0.00 C ATOM 603 C PRO A 38 1.348 -9.292 0.496 1.00 0.00 C ATOM 604 O PRO A 38 2.027 -8.492 -0.148 1.00 0.00 O ATOM 605 CB PRO A 38 2.036 -9.436 2.915 1.00 0.00 C ATOM 606 CG PRO A 38 1.391 -10.361 3.898 1.00 0.00 C ATOM 607 CD PRO A 38 0.037 -10.750 3.337 1.00 0.00 C ATOM 0 HA PRO A 38 0.811 -7.899 1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.844 -9.942 2.387 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.476 -8.580 3.427 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.009 -11.245 4.055 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.279 -9.874 4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.072 -11.722 2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.717 -10.817 4.122 1.00 0.00 H new ATOM 615 N SER A 39 0.903 -10.441 -0.012 1.00 0.00 N ATOM 616 CA SER A 39 1.214 -10.825 -1.387 1.00 0.00 C ATOM 617 C SER A 39 0.516 -9.878 -2.356 1.00 0.00 C ATOM 618 O SER A 39 0.856 -9.811 -3.538 1.00 0.00 O ATOM 619 CB SER A 39 0.769 -12.268 -1.652 1.00 0.00 C ATOM 620 OG SER A 39 -0.648 -12.321 -1.761 1.00 0.00 O ATOM 0 H SER A 39 0.333 -11.114 0.501 1.00 0.00 H new ATOM 0 HA SER A 39 2.292 -10.761 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.228 -12.638 -2.569 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.106 -12.917 -0.843 1.00 0.00 H new ATOM 0 HG SER A 39 -1.048 -12.236 -0.870 1.00 0.00 H new ATOM 626 N GLN A 40 -0.470 -9.155 -1.827 1.00 0.00 N ATOM 627 CA GLN A 40 -1.244 -8.210 -2.613 1.00 0.00 C ATOM 628 C GLN A 40 -0.625 -6.833 -2.600 1.00 0.00 C ATOM 629 O GLN A 40 -1.189 -5.930 -3.184 1.00 0.00 O ATOM 630 CB GLN A 40 -2.672 -8.101 -2.057 1.00 0.00 C ATOM 631 CG GLN A 40 -3.269 -9.491 -1.838 1.00 0.00 C ATOM 632 CD GLN A 40 -3.357 -10.259 -3.157 1.00 0.00 C ATOM 633 OE1 GLN A 40 -3.875 -9.743 -4.146 1.00 0.00 O ATOM 634 NE2 GLN A 40 -2.877 -11.470 -3.226 1.00 0.00 N ATOM 0 H GLN A 40 -0.749 -9.211 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.259 -8.583 -3.637 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.661 -7.551 -1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.296 -7.536 -2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.656 -10.047 -1.129 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.262 -9.400 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.448 -11.896 -2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.931 -11.991 -4.101 1.00 0.00 H new ATOM 643 N SER A 41 0.521 -6.673 -1.935 1.00 0.00 N ATOM 644 CA SER A 41 1.166 -5.369 -1.816 1.00 0.00 C ATOM 645 C SER A 41 1.072 -4.548 -3.094 1.00 0.00 C ATOM 646 O SER A 41 0.743 -3.368 -3.034 1.00 0.00 O ATOM 647 CB SER A 41 2.645 -5.585 -1.487 1.00 0.00 C ATOM 648 OG SER A 41 3.203 -6.504 -2.419 1.00 0.00 O ATOM 0 H SER A 41 1.020 -7.432 -1.471 1.00 0.00 H new ATOM 0 HA SER A 41 0.651 -4.818 -1.029 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.181 -4.637 -1.528 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.752 -5.968 -0.472 1.00 0.00 H new ATOM 0 HG SER A 41 3.514 -7.303 -1.944 1.00 0.00 H new ATOM 654 N ALA A 42 1.315 -5.172 -4.235 1.00 0.00 N ATOM 655 CA ALA A 42 1.234 -4.472 -5.507 1.00 0.00 C ATOM 656 C ALA A 42 -0.197 -4.024 -5.798 1.00 0.00 C ATOM 657 O ALA A 42 -0.423 -2.966 -6.379 1.00 0.00 O ATOM 658 CB ALA A 42 1.718 -5.390 -6.617 1.00 0.00 C ATOM 0 H ALA A 42 1.569 -6.157 -4.307 1.00 0.00 H new ATOM 0 HA ALA A 42 1.864 -3.584 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.659 -4.868 -7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.751 -5.679 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.092 -6.282 -6.651 1.00 0.00 H new ATOM 664 N ASN A 43 -1.150 -4.844 -5.377 1.00 0.00 N ATOM 665 CA ASN A 43 -2.559 -4.557 -5.554 1.00 0.00 C ATOM 666 C ASN A 43 -2.977 -3.419 -4.632 1.00 0.00 C ATOM 667 O ASN A 43 -3.748 -2.550 -4.997 1.00 0.00 O ATOM 668 CB ASN A 43 -3.379 -5.808 -5.252 1.00 0.00 C ATOM 669 CG ASN A 43 -4.774 -5.718 -5.869 1.00 0.00 C ATOM 670 OD1 ASN A 43 -5.251 -4.632 -6.206 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.459 -6.811 -6.038 1.00 0.00 N ATOM 0 H ASN A 43 -0.963 -5.728 -4.903 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.738 -4.255 -6.586 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.863 -6.686 -5.640 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.464 -5.939 -4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.391 -6.770 -6.450 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.064 -7.709 -5.759 1.00 0.00 H new ATOM 678 N LEU A 44 -2.422 -3.449 -3.431 1.00 0.00 N ATOM 679 CA LEU A 44 -2.667 -2.447 -2.409 1.00 0.00 C ATOM 680 C LEU A 44 -2.101 -1.162 -2.929 1.00 0.00 C ATOM 681 O LEU A 44 -2.698 -0.098 -2.805 1.00 0.00 O ATOM 682 CB LEU A 44 -1.999 -2.923 -1.108 1.00 0.00 C ATOM 683 CG LEU A 44 -2.421 -4.385 -0.905 1.00 0.00 C ATOM 684 CD1 LEU A 44 -1.893 -4.980 0.377 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.928 -4.486 -0.939 1.00 0.00 C ATOM 0 H LEU A 44 -1.778 -4.183 -3.135 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.723 -2.295 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.914 -2.839 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.313 -2.309 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.984 -4.961 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.226 -6.014 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.803 -4.949 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.268 -4.407 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.226 -5.524 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.352 -3.873 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.295 -4.134 -1.903 1.00 0.00 H new ATOM 697 N LEU A 45 -0.979 -1.325 -3.607 1.00 0.00 N ATOM 698 CA LEU A 45 -0.322 -0.240 -4.286 1.00 0.00 C ATOM 699 C LEU A 45 -1.245 0.256 -5.371 1.00 0.00 C ATOM 700 O LEU A 45 -1.412 1.443 -5.581 1.00 0.00 O ATOM 701 CB LEU A 45 0.914 -0.773 -5.008 1.00 0.00 C ATOM 702 CG LEU A 45 2.201 -0.276 -4.418 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.139 1.243 -4.178 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.401 -1.094 -3.152 1.00 0.00 C ATOM 0 H LEU A 45 -0.501 -2.222 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.062 0.535 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.904 -1.863 -4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.867 -0.484 -6.058 1.00 0.00 H new ATOM 0 HG LEU A 45 3.056 -0.407 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.082 1.583 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.965 1.754 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.325 1.470 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.325 -0.787 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.561 -0.930 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.460 -2.152 -3.408 1.00 0.00 H new ATOM 716 N ALA A 46 -1.814 -0.723 -6.067 1.00 0.00 N ATOM 717 CA ALA A 46 -2.714 -0.475 -7.179 1.00 0.00 C ATOM 718 C ALA A 46 -3.909 0.295 -6.697 1.00 0.00 C ATOM 719 O ALA A 46 -4.307 1.300 -7.280 1.00 0.00 O ATOM 720 CB ALA A 46 -3.193 -1.808 -7.752 1.00 0.00 C ATOM 0 H ALA A 46 -1.661 -1.712 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.188 0.095 -7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.869 -1.623 -8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.335 -2.384 -8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.717 -2.369 -6.978 1.00 0.00 H new ATOM 726 N GLU A 47 -4.440 -0.183 -5.589 1.00 0.00 N ATOM 727 CA GLU A 47 -5.558 0.434 -4.953 1.00 0.00 C ATOM 728 C GLU A 47 -5.153 1.810 -4.484 1.00 0.00 C ATOM 729 O GLU A 47 -5.931 2.758 -4.525 1.00 0.00 O ATOM 730 CB GLU A 47 -5.936 -0.421 -3.766 1.00 0.00 C ATOM 731 CG GLU A 47 -6.658 -1.709 -4.203 1.00 0.00 C ATOM 732 CD GLU A 47 -7.805 -1.403 -5.171 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.667 -0.613 -4.818 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.802 -1.963 -6.253 1.00 0.00 O ATOM 0 H GLU A 47 -4.096 -1.016 -5.112 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.402 0.525 -5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.039 -0.679 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.580 0.149 -3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.947 -2.383 -4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.048 -2.226 -3.326 1.00 0.00 H new ATOM 741 N ALA A 48 -3.905 1.891 -4.056 1.00 0.00 N ATOM 742 CA ALA A 48 -3.342 3.133 -3.588 1.00 0.00 C ATOM 743 C ALA A 48 -3.199 4.101 -4.738 1.00 0.00 C ATOM 744 O ALA A 48 -3.579 5.262 -4.629 1.00 0.00 O ATOM 745 CB ALA A 48 -1.969 2.876 -2.988 1.00 0.00 C ATOM 0 H ALA A 48 -3.262 1.100 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.004 3.558 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.545 3.816 -2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.061 2.182 -2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.315 2.445 -3.746 1.00 0.00 H new ATOM 751 N LYS A 49 -2.675 3.594 -5.852 1.00 0.00 N ATOM 752 CA LYS A 49 -2.507 4.409 -7.043 1.00 0.00 C ATOM 753 C LYS A 49 -3.877 4.873 -7.476 1.00 0.00 C ATOM 754 O LYS A 49 -4.061 6.003 -7.897 1.00 0.00 O ATOM 755 CB LYS A 49 -1.889 3.595 -8.193 1.00 0.00 C ATOM 756 CG LYS A 49 -0.471 3.077 -7.866 1.00 0.00 C ATOM 757 CD LYS A 49 0.246 3.997 -6.878 1.00 0.00 C ATOM 758 CE LYS A 49 1.702 3.548 -6.705 1.00 0.00 C ATOM 759 NZ LYS A 49 2.545 4.181 -7.759 1.00 0.00 N ATOM 0 H LYS A 49 -2.362 2.628 -5.950 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.844 5.244 -6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.536 2.748 -8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.847 4.215 -9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.537 2.072 -7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.111 3.003 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.214 5.026 -7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.265 3.980 -5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.065 3.828 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.770 2.462 -6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.533 3.877 -7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.202 3.892 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.489 5.216 -7.673 1.00 0.00 H new ATOM 773 N LYS A 50 -4.834 3.961 -7.335 1.00 0.00 N ATOM 774 CA LYS A 50 -6.215 4.234 -7.688 1.00 0.00 C ATOM 775 C LYS A 50 -6.803 5.285 -6.770 1.00 0.00 C ATOM 776 O LYS A 50 -7.503 6.193 -7.222 1.00 0.00 O ATOM 777 CB LYS A 50 -7.041 2.943 -7.614 1.00 0.00 C ATOM 778 CG LYS A 50 -6.775 2.079 -8.853 1.00 0.00 C ATOM 779 CD LYS A 50 -7.200 0.634 -8.562 1.00 0.00 C ATOM 780 CE LYS A 50 -8.710 0.573 -8.303 1.00 0.00 C ATOM 781 NZ LYS A 50 -9.174 -0.838 -8.406 1.00 0.00 N ATOM 0 H LYS A 50 -4.672 3.020 -6.975 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.243 4.615 -8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.784 2.388 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.102 3.184 -7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.328 2.468 -9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.718 2.114 -9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.941 -0.007 -9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.659 0.255 -7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.937 0.970 -7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.239 1.195 -9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.208 -0.872 -8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.910 -1.223 -9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.729 -1.405 -7.657 1.00 0.00 H new ATOM 795 N LEU A 51 -6.500 5.167 -5.482 1.00 0.00 N ATOM 796 CA LEU A 51 -6.999 6.137 -4.515 1.00 0.00 C ATOM 797 C LEU A 51 -6.289 7.466 -4.708 1.00 0.00 C ATOM 798 O LEU A 51 -6.913 8.525 -4.671 1.00 0.00 O ATOM 799 CB LEU A 51 -6.835 5.619 -3.077 1.00 0.00 C ATOM 800 CG LEU A 51 -8.215 5.219 -2.506 1.00 0.00 C ATOM 801 CD1 LEU A 51 -9.208 6.393 -2.600 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.772 4.018 -3.292 1.00 0.00 C ATOM 0 H LEU A 51 -5.922 4.424 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.066 6.285 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.163 4.761 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.382 6.389 -2.452 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.088 4.951 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.172 6.088 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.825 7.240 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.331 6.683 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.745 3.738 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.880 4.289 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.086 3.175 -3.203 1.00 0.00 H new ATOM 814 N ASN A 52 -4.984 7.388 -4.943 1.00 0.00 N ATOM 815 CA ASN A 52 -4.180 8.575 -5.186 1.00 0.00 C ATOM 816 C ASN A 52 -4.650 9.262 -6.458 1.00 0.00 C ATOM 817 O ASN A 52 -4.836 10.475 -6.489 1.00 0.00 O ATOM 818 CB ASN A 52 -2.726 8.156 -5.340 1.00 0.00 C ATOM 819 CG ASN A 52 -1.841 9.339 -5.716 1.00 0.00 C ATOM 820 OD1 ASN A 52 -1.322 10.026 -4.844 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.637 9.613 -6.974 1.00 0.00 N ATOM 0 H ASN A 52 -4.462 6.512 -4.970 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.282 9.268 -4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.372 7.717 -4.407 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.648 7.384 -6.105 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.044 10.401 -7.235 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.070 9.039 -7.698 1.00 0.00 H new ATOM 828 N ASP A 53 -4.858 8.454 -7.496 1.00 0.00 N ATOM 829 CA ASP A 53 -5.333 8.949 -8.777 1.00 0.00 C ATOM 830 C ASP A 53 -6.690 9.600 -8.594 1.00 0.00 C ATOM 831 O ASP A 53 -6.986 10.644 -9.178 1.00 0.00 O ATOM 832 CB ASP A 53 -5.420 7.786 -9.786 1.00 0.00 C ATOM 833 CG ASP A 53 -4.023 7.328 -10.244 1.00 0.00 C ATOM 834 OD1 ASP A 53 -3.046 8.001 -9.940 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.953 6.295 -10.888 1.00 0.00 O ATOM 0 H ASP A 53 -4.702 7.446 -7.469 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.636 9.692 -9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.948 6.948 -9.331 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.004 8.098 -10.652 1.00 0.00 H new ATOM 840 N ALA A 54 -7.489 8.975 -7.742 1.00 0.00 N ATOM 841 CA ALA A 54 -8.810 9.474 -7.419 1.00 0.00 C ATOM 842 C ALA A 54 -8.699 10.766 -6.612 1.00 0.00 C ATOM 843 O ALA A 54 -9.524 11.669 -6.758 1.00 0.00 O ATOM 844 CB ALA A 54 -9.581 8.425 -6.617 1.00 0.00 C ATOM 0 H ALA A 54 -7.238 8.112 -7.259 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.346 9.680 -8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.573 8.807 -6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.676 7.513 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.044 8.206 -5.694 1.00 0.00 H new ATOM 850 N GLN A 55 -7.660 10.846 -5.769 1.00 0.00 N ATOM 851 CA GLN A 55 -7.437 12.036 -4.946 1.00 0.00 C ATOM 852 C GLN A 55 -6.519 13.027 -5.657 1.00 0.00 C ATOM 853 O GLN A 55 -6.171 14.076 -5.108 1.00 0.00 O ATOM 854 CB GLN A 55 -6.858 11.632 -3.581 1.00 0.00 C ATOM 855 CG GLN A 55 -8.021 11.412 -2.602 1.00 0.00 C ATOM 856 CD GLN A 55 -7.523 11.390 -1.163 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.910 12.232 -0.355 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.681 10.475 -0.796 1.00 0.00 N ATOM 0 H GLN A 55 -6.969 10.107 -5.642 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.395 12.531 -4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.266 10.722 -3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.191 12.409 -3.208 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.759 12.205 -2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.522 10.472 -2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.361 9.777 -1.468 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.338 10.453 0.165 1.00 0.00 H new ATOM 867 N ALA A 56 -6.139 12.686 -6.886 1.00 0.00 N ATOM 868 CA ALA A 56 -5.263 13.541 -7.688 1.00 0.00 C ATOM 869 C ALA A 56 -6.022 14.742 -8.234 1.00 0.00 C ATOM 870 O ALA A 56 -7.256 14.766 -8.225 1.00 0.00 O ATOM 871 CB ALA A 56 -4.651 12.742 -8.843 1.00 0.00 C ATOM 0 H ALA A 56 -6.423 11.823 -7.350 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.464 13.904 -7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.002 13.391 -9.431 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.068 11.912 -8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.447 12.353 -9.478 1.00 0.00 H new ATOM 877 N PRO A 57 -5.306 15.743 -8.694 1.00 0.00 N ATOM 878 CA PRO A 57 -5.905 16.989 -9.241 1.00 0.00 C ATOM 879 C PRO A 57 -6.384 16.812 -10.681 1.00 0.00 C ATOM 880 O PRO A 57 -6.376 17.753 -11.480 1.00 0.00 O ATOM 881 CB PRO A 57 -4.759 18.015 -9.141 1.00 0.00 C ATOM 882 CG PRO A 57 -3.578 17.292 -8.569 1.00 0.00 C ATOM 883 CD PRO A 57 -3.842 15.810 -8.751 1.00 0.00 C ATOM 0 HA PRO A 57 -6.797 17.298 -8.695 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.522 18.426 -10.122 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.045 18.853 -8.505 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.660 17.587 -9.078 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.449 17.535 -7.514 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.455 15.442 -9.701 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.377 15.215 -7.965 1.00 0.00 H new ATOM 891 N LYS A 58 -6.817 15.593 -10.981 1.00 0.00 N ATOM 892 CA LYS A 58 -7.326 15.237 -12.308 1.00 0.00 C ATOM 893 C LYS A 58 -6.360 15.700 -13.416 1.00 0.00 C ATOM 894 O LYS A 58 -5.164 15.529 -13.234 1.00 0.00 O ATOM 895 CB LYS A 58 -8.725 15.849 -12.493 1.00 0.00 C ATOM 896 CG LYS A 58 -9.646 15.366 -11.362 1.00 0.00 C ATOM 897 CD LYS A 58 -11.097 15.774 -11.647 1.00 0.00 C ATOM 898 CE LYS A 58 -11.240 17.304 -11.608 1.00 0.00 C ATOM 899 NZ LYS A 58 -10.992 17.866 -12.967 1.00 0.00 N ATOM 900 OXT LYS A 58 -6.821 16.211 -14.428 1.00 0.00 O ATOM 0 H LYS A 58 -6.827 14.821 -10.314 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.401 14.152 -12.385 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.662 16.937 -12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.136 15.560 -13.460 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.578 14.282 -11.266 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.321 15.791 -10.412 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.402 15.399 -12.624 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.760 15.321 -10.910 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.239 17.577 -11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.533 17.727 -10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.154 18.482 -12.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.829 17.089 -13.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.819 18.419 -13.270 1.00 0.00 H new TER 914 LYS A 58