USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 451 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 7 LYS NZ :NH3+ 142:sc= 1.39 (180deg=0.464) USER MOD Single : A 10 ASN : amide:sc= -0.367 K(o=-0.37,f=-0.91) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -7.26! C(o=-7.3!,f=-11!) USER MOD Single : A 20 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.3!) USER MOD Single : A 29 HIS : no HD1:sc= -2 X(o=-2,f=-2.1) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0214 X(o=-0.021,f=-0.12) USER MOD Single : A 46 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.00084) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.32 K(o=-2.3,f=-2.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.583 -2.319 -2.259 1.00 31.54 N ATOM 19 CA LYS A 2 3.604 -3.351 -2.395 1.00 21.31 C ATOM 20 C LYS A 2 4.120 -3.420 -3.829 1.00 21.03 C ATOM 21 O LYS A 2 3.425 -3.033 -4.769 1.00 25.51 O ATOM 22 CB LYS A 2 3.042 -4.712 -1.978 1.00 60.31 C ATOM 23 CG LYS A 2 2.740 -4.817 -0.493 1.00 54.42 C ATOM 24 CD LYS A 2 4.013 -4.930 0.329 1.00 53.15 C ATOM 25 CE LYS A 2 3.708 -5.211 1.792 1.00 62.31 C ATOM 26 NZ LYS A 2 4.876 -4.916 2.668 1.00 14.21 N ATOM 0 HA LYS A 2 4.436 -3.092 -1.740 1.00 21.31 H new ATOM 0 HB2 LYS A 2 2.129 -4.906 -2.540 1.00 60.31 H new ATOM 0 HB3 LYS A 2 3.756 -5.489 -2.251 1.00 60.31 H new ATOM 0 HG2 LYS A 2 2.176 -3.941 -0.173 1.00 54.42 H new ATOM 0 HG3 LYS A 2 2.109 -5.687 -0.310 1.00 54.42 H new ATOM 0 HD2 LYS A 2 4.638 -5.728 -0.073 1.00 53.15 H new ATOM 0 HD3 LYS A 2 4.584 -4.005 0.246 1.00 53.15 H new ATOM 0 HE2 LYS A 2 2.856 -4.609 2.108 1.00 62.31 H new ATOM 0 HE3 LYS A 2 3.421 -6.256 1.909 1.00 62.31 H new ATOM 0 HZ1 LYS A 2 4.628 -5.120 3.657 1.00 14.21 H new ATOM 0 HZ2 LYS A 2 5.682 -5.509 2.383 1.00 14.21 H new ATOM 0 HZ3 LYS A 2 5.134 -3.913 2.576 1.00 14.21 H new ATOM 40 N LYS A 3 5.342 -3.916 -3.990 1.00 3.24 N ATOM 41 CA LYS A 3 5.951 -4.038 -5.309 1.00 21.52 C ATOM 42 C LYS A 3 6.169 -5.503 -5.674 1.00 34.54 C ATOM 43 O LYS A 3 6.625 -6.297 -4.851 1.00 50.25 O ATOM 44 CB LYS A 3 7.284 -3.288 -5.349 1.00 64.45 C ATOM 45 CG LYS A 3 7.199 -1.866 -4.823 1.00 75.22 C ATOM 46 CD LYS A 3 8.206 -1.621 -3.713 1.00 4.41 C ATOM 47 CE LYS A 3 9.597 -1.359 -4.270 1.00 41.15 C ATOM 48 NZ LYS A 3 9.960 0.084 -4.201 1.00 22.32 N ATOM 0 H LYS A 3 5.931 -4.240 -3.223 1.00 3.24 H new ATOM 0 HA LYS A 3 5.271 -3.597 -6.038 1.00 21.52 H new ATOM 0 HB2 LYS A 3 8.019 -3.840 -4.763 1.00 64.45 H new ATOM 0 HB3 LYS A 3 7.647 -3.265 -6.376 1.00 64.45 H new ATOM 0 HG2 LYS A 3 7.377 -1.164 -5.638 1.00 75.22 H new ATOM 0 HG3 LYS A 3 6.192 -1.674 -4.451 1.00 75.22 H new ATOM 0 HD2 LYS A 3 7.887 -0.769 -3.112 1.00 4.41 H new ATOM 0 HD3 LYS A 3 8.235 -2.485 -3.050 1.00 4.41 H new ATOM 0 HE2 LYS A 3 10.328 -1.944 -3.712 1.00 41.15 H new ATOM 0 HE3 LYS A 3 9.643 -1.696 -5.306 1.00 41.15 H new ATOM 0 HZ1 LYS A 3 10.915 0.221 -4.590 1.00 22.32 H new ATOM 0 HZ2 LYS A 3 9.278 0.640 -4.754 1.00 22.32 H new ATOM 0 HZ3 LYS A 3 9.941 0.400 -3.210 1.00 22.32 H new ATOM 62 N GLY A 4 5.840 -5.855 -6.913 1.00 71.41 N ATOM 63 CA GLY A 4 6.008 -7.224 -7.365 1.00 30.22 C ATOM 64 C GLY A 4 5.895 -7.356 -8.871 1.00 0.33 C ATOM 65 O GLY A 4 5.514 -6.408 -9.558 1.00 51.41 O ATOM 0 H GLY A 4 5.460 -5.217 -7.612 1.00 71.41 H new ATOM 0 HA2 GLY A 4 6.982 -7.593 -7.043 1.00 30.22 H new ATOM 0 HA3 GLY A 4 5.256 -7.855 -6.891 1.00 30.22 H new ATOM 69 N THR A 5 6.229 -8.535 -9.387 1.00 53.50 N ATOM 70 CA THR A 5 6.166 -8.786 -10.821 1.00 72.22 C ATOM 71 C THR A 5 4.728 -9.000 -11.279 1.00 53.23 C ATOM 72 O THR A 5 3.854 -9.337 -10.480 1.00 3.22 O ATOM 73 CB THR A 5 7.006 -10.017 -11.213 1.00 54.40 C ATOM 74 OG1 THR A 5 6.791 -11.076 -10.274 1.00 14.23 O ATOM 75 CG2 THR A 5 8.486 -9.668 -11.262 1.00 74.22 C ATOM 0 H THR A 5 6.546 -9.331 -8.833 1.00 53.50 H new ATOM 0 HA THR A 5 6.574 -7.904 -11.315 1.00 72.22 H new ATOM 0 HB THR A 5 6.693 -10.343 -12.205 1.00 54.40 H new ATOM 0 HG1 THR A 5 7.327 -11.855 -10.531 1.00 14.23 H new ATOM 0 HG21 THR A 5 9.059 -10.552 -11.541 1.00 74.22 H new ATOM 0 HG22 THR A 5 8.650 -8.882 -11.999 1.00 74.22 H new ATOM 0 HG23 THR A 5 8.810 -9.320 -10.281 1.00 74.22 H new ATOM 83 N VAL A 6 4.488 -8.802 -12.572 1.00 34.52 N ATOM 84 CA VAL A 6 3.155 -8.976 -13.137 1.00 12.51 C ATOM 85 C VAL A 6 3.035 -10.311 -13.862 1.00 74.12 C ATOM 86 O VAL A 6 3.913 -10.691 -14.637 1.00 31.12 O ATOM 87 CB VAL A 6 2.809 -7.839 -14.117 1.00 12.32 C ATOM 88 CG1 VAL A 6 3.666 -7.934 -15.370 1.00 34.40 C ATOM 89 CG2 VAL A 6 1.329 -7.871 -14.469 1.00 22.21 C ATOM 0 H VAL A 6 5.199 -8.521 -13.247 1.00 34.52 H new ATOM 0 HA VAL A 6 2.453 -8.955 -12.304 1.00 12.51 H new ATOM 0 HB VAL A 6 3.023 -6.887 -13.631 1.00 12.32 H new ATOM 0 HG11 VAL A 6 3.407 -7.123 -16.050 1.00 34.40 H new ATOM 0 HG12 VAL A 6 4.719 -7.857 -15.098 1.00 34.40 H new ATOM 0 HG13 VAL A 6 3.487 -8.890 -15.861 1.00 34.40 H new ATOM 0 HG21 VAL A 6 1.102 -7.061 -15.162 1.00 22.21 H new ATOM 0 HG22 VAL A 6 1.086 -8.826 -14.935 1.00 22.21 H new ATOM 0 HG23 VAL A 6 0.737 -7.749 -13.562 1.00 22.21 H new ATOM 99 N LYS A 7 1.941 -11.020 -13.607 1.00 34.44 N ATOM 100 CA LYS A 7 1.702 -12.314 -14.236 1.00 5.01 C ATOM 101 C LYS A 7 1.135 -12.139 -15.641 1.00 20.31 C ATOM 102 O LYS A 7 1.461 -12.901 -16.551 1.00 63.21 O ATOM 103 CB LYS A 7 0.741 -13.148 -13.386 1.00 62.33 C ATOM 104 CG LYS A 7 1.194 -14.585 -13.189 1.00 51.22 C ATOM 105 CD LYS A 7 1.131 -14.994 -11.727 1.00 53.31 C ATOM 106 CE LYS A 7 -0.304 -15.055 -11.227 1.00 74.31 C ATOM 107 NZ LYS A 7 -0.975 -16.326 -11.620 1.00 43.41 N ATOM 0 H LYS A 7 1.205 -10.720 -12.968 1.00 34.44 H new ATOM 0 HA LYS A 7 2.656 -12.836 -14.311 1.00 5.01 H new ATOM 0 HB2 LYS A 7 0.628 -12.675 -12.411 1.00 62.33 H new ATOM 0 HB3 LYS A 7 -0.242 -13.147 -13.857 1.00 62.33 H new ATOM 0 HG2 LYS A 7 0.565 -15.250 -13.781 1.00 51.22 H new ATOM 0 HG3 LYS A 7 2.214 -14.700 -13.556 1.00 51.22 H new ATOM 0 HD2 LYS A 7 1.603 -15.968 -11.600 1.00 53.31 H new ATOM 0 HD3 LYS A 7 1.697 -14.284 -11.125 1.00 53.31 H new ATOM 0 HE2 LYS A 7 -0.315 -14.959 -10.141 1.00 74.31 H new ATOM 0 HE3 LYS A 7 -0.864 -14.210 -11.627 1.00 74.31 H new ATOM 0 HZ1 LYS A 7 -1.588 -16.649 -10.844 1.00 43.41 H new ATOM 0 HZ2 LYS A 7 -1.550 -16.166 -12.472 1.00 43.41 H new ATOM 0 HZ3 LYS A 7 -0.256 -17.051 -11.818 1.00 43.41 H new ATOM 121 N TRP A 8 0.286 -11.132 -15.810 1.00 4.10 N ATOM 122 CA TRP A 8 -0.325 -10.857 -17.105 1.00 41.04 C ATOM 123 C TRP A 8 -1.089 -9.538 -17.078 1.00 0.12 C ATOM 124 O TRP A 8 -1.690 -9.179 -16.065 1.00 55.23 O ATOM 125 CB TRP A 8 -1.265 -11.997 -17.501 1.00 0.10 C ATOM 126 CG TRP A 8 -2.336 -12.263 -16.486 1.00 65.24 C ATOM 127 CD1 TRP A 8 -3.398 -11.459 -16.185 1.00 65.02 C ATOM 128 CD2 TRP A 8 -2.446 -13.412 -15.639 1.00 12.43 C ATOM 129 NE1 TRP A 8 -4.162 -12.038 -15.201 1.00 63.52 N ATOM 130 CE2 TRP A 8 -3.600 -13.237 -14.850 1.00 20.25 C ATOM 131 CE3 TRP A 8 -1.685 -14.571 -15.471 1.00 25.11 C ATOM 132 CZ2 TRP A 8 -4.007 -14.179 -13.908 1.00 4.32 C ATOM 133 CZ3 TRP A 8 -2.089 -15.504 -14.536 1.00 33.44 C ATOM 134 CH2 TRP A 8 -3.242 -15.304 -13.764 1.00 61.54 C ATOM 0 H TRP A 8 0.005 -10.492 -15.067 1.00 4.10 H new ATOM 0 HA TRP A 8 0.472 -10.778 -17.845 1.00 41.04 H new ATOM 0 HB2 TRP A 8 -1.731 -11.759 -18.457 1.00 0.10 H new ATOM 0 HB3 TRP A 8 -0.681 -12.905 -17.649 1.00 0.10 H new ATOM 0 HD1 TRP A 8 -3.607 -10.508 -16.652 1.00 65.02 H new ATOM 0 HE1 TRP A 8 -5.010 -11.640 -14.797 1.00 63.52 H new ATOM 0 HE3 TRP A 8 -0.796 -14.735 -16.062 1.00 25.11 H new ATOM 0 HZ2 TRP A 8 -4.895 -14.027 -13.312 1.00 4.32 H new ATOM 0 HZ3 TRP A 8 -1.507 -16.403 -14.397 1.00 33.44 H new ATOM 0 HH2 TRP A 8 -3.532 -16.053 -13.042 1.00 61.54 H new ATOM 145 N PHE A 9 -1.062 -8.820 -18.196 1.00 3.44 N ATOM 146 CA PHE A 9 -1.752 -7.539 -18.299 1.00 23.15 C ATOM 147 C PHE A 9 -2.427 -7.393 -19.659 1.00 32.11 C ATOM 148 O PHE A 9 -1.761 -7.222 -20.679 1.00 73.21 O ATOM 149 CB PHE A 9 -0.769 -6.387 -18.078 1.00 71.11 C ATOM 150 CG PHE A 9 -1.429 -5.039 -18.022 1.00 42.14 C ATOM 151 CD1 PHE A 9 -1.938 -4.551 -16.830 1.00 0.21 C ATOM 152 CD2 PHE A 9 -1.540 -4.260 -19.163 1.00 12.11 C ATOM 153 CE1 PHE A 9 -2.545 -3.310 -16.775 1.00 74.31 C ATOM 154 CE2 PHE A 9 -2.146 -3.019 -19.114 1.00 51.41 C ATOM 155 CZ PHE A 9 -2.650 -2.544 -17.919 1.00 54.21 C ATOM 0 H PHE A 9 -0.570 -9.103 -19.043 1.00 3.44 H new ATOM 0 HA PHE A 9 -2.520 -7.505 -17.526 1.00 23.15 H new ATOM 0 HB2 PHE A 9 -0.227 -6.556 -17.148 1.00 71.11 H new ATOM 0 HB3 PHE A 9 -0.032 -6.389 -18.881 1.00 71.11 H new ATOM 0 HD1 PHE A 9 -1.860 -5.147 -15.933 1.00 0.21 H new ATOM 0 HD2 PHE A 9 -1.149 -4.627 -20.100 1.00 12.11 H new ATOM 0 HE1 PHE A 9 -2.936 -2.940 -15.839 1.00 74.31 H new ATOM 0 HE2 PHE A 9 -2.225 -2.421 -20.010 1.00 51.41 H new ATOM 0 HZ PHE A 9 -3.125 -1.575 -17.879 1.00 54.21 H new ATOM 165 N ASN A 10 -3.754 -7.463 -19.664 1.00 54.53 N ATOM 166 CA ASN A 10 -4.521 -7.339 -20.899 1.00 32.42 C ATOM 167 C ASN A 10 -4.844 -5.878 -21.195 1.00 71.01 C ATOM 168 O ASN A 10 -5.540 -5.217 -20.425 1.00 31.10 O ATOM 169 CB ASN A 10 -5.815 -8.150 -20.803 1.00 13.01 C ATOM 170 CG ASN A 10 -6.517 -8.279 -22.141 1.00 70.30 C ATOM 171 OD1 ASN A 10 -5.879 -8.503 -23.170 1.00 31.31 O ATOM 172 ND2 ASN A 10 -7.837 -8.138 -22.133 1.00 34.25 N ATOM 0 H ASN A 10 -4.321 -7.605 -18.828 1.00 54.53 H new ATOM 0 HA ASN A 10 -3.914 -7.730 -21.715 1.00 32.42 H new ATOM 0 HB2 ASN A 10 -5.590 -9.144 -20.417 1.00 13.01 H new ATOM 0 HB3 ASN A 10 -6.486 -7.675 -20.088 1.00 13.01 H new ATOM 0 HD21 ASN A 10 -8.363 -8.215 -23.003 1.00 34.25 H new ATOM 0 HD22 ASN A 10 -8.325 -7.953 -21.257 1.00 34.25 H new ATOM 179 N ALA A 11 -4.334 -5.381 -22.317 1.00 2.31 N ATOM 180 CA ALA A 11 -4.570 -3.999 -22.717 1.00 2.03 C ATOM 181 C ALA A 11 -5.883 -3.865 -23.480 1.00 61.14 C ATOM 182 O ALA A 11 -6.478 -2.789 -23.525 1.00 31.12 O ATOM 183 CB ALA A 11 -3.412 -3.489 -23.561 1.00 45.31 C ATOM 0 H ALA A 11 -3.755 -5.915 -22.965 1.00 2.31 H new ATOM 0 HA ALA A 11 -4.642 -3.392 -21.814 1.00 2.03 H new ATOM 0 HB1 ALA A 11 -3.602 -2.456 -23.853 1.00 45.31 H new ATOM 0 HB2 ALA A 11 -2.490 -3.539 -22.982 1.00 45.31 H new ATOM 0 HB3 ALA A 11 -3.313 -4.106 -24.454 1.00 45.31 H new ATOM 189 N GLU A 12 -6.328 -4.965 -24.081 1.00 10.35 N ATOM 190 CA GLU A 12 -7.570 -4.968 -24.844 1.00 15.12 C ATOM 191 C GLU A 12 -8.750 -4.561 -23.965 1.00 42.52 C ATOM 192 O GLU A 12 -9.635 -3.821 -24.397 1.00 25.00 O ATOM 193 CB GLU A 12 -7.822 -6.352 -25.445 1.00 33.44 C ATOM 194 CG GLU A 12 -7.245 -6.525 -26.840 1.00 13.43 C ATOM 195 CD GLU A 12 -5.750 -6.277 -26.887 1.00 51.53 C ATOM 196 OE1 GLU A 12 -5.348 -5.115 -27.107 1.00 65.21 O ATOM 197 OE2 GLU A 12 -4.983 -7.245 -26.704 1.00 43.24 O ATOM 0 H GLU A 12 -5.847 -5.864 -24.054 1.00 10.35 H new ATOM 0 HA GLU A 12 -7.472 -4.242 -25.651 1.00 15.12 H new ATOM 0 HB2 GLU A 12 -7.393 -7.108 -24.787 1.00 33.44 H new ATOM 0 HB3 GLU A 12 -8.896 -6.533 -25.480 1.00 33.44 H new ATOM 0 HG2 GLU A 12 -7.453 -7.535 -27.193 1.00 13.43 H new ATOM 0 HG3 GLU A 12 -7.745 -5.839 -27.524 1.00 13.43 H new ATOM 204 N LYS A 13 -8.756 -5.049 -22.730 1.00 2.14 N ATOM 205 CA LYS A 13 -9.825 -4.737 -21.788 1.00 44.31 C ATOM 206 C LYS A 13 -9.388 -3.651 -20.810 1.00 51.42 C ATOM 207 O LYS A 13 -10.172 -2.772 -20.453 1.00 44.33 O ATOM 208 CB LYS A 13 -10.238 -5.994 -21.019 1.00 54.34 C ATOM 209 CG LYS A 13 -10.988 -7.006 -21.868 1.00 23.41 C ATOM 210 CD LYS A 13 -12.491 -6.801 -21.784 1.00 2.20 C ATOM 211 CE LYS A 13 -13.202 -7.390 -22.992 1.00 52.04 C ATOM 212 NZ LYS A 13 -13.190 -8.879 -22.972 1.00 43.00 N ATOM 0 H LYS A 13 -8.032 -5.663 -22.357 1.00 2.14 H new ATOM 0 HA LYS A 13 -10.679 -4.368 -22.356 1.00 44.31 H new ATOM 0 HB2 LYS A 13 -9.347 -6.467 -20.607 1.00 54.34 H new ATOM 0 HB3 LYS A 13 -10.864 -5.704 -20.175 1.00 54.34 H new ATOM 0 HG2 LYS A 13 -10.666 -6.921 -22.906 1.00 23.41 H new ATOM 0 HG3 LYS A 13 -10.739 -8.015 -21.538 1.00 23.41 H new ATOM 0 HD2 LYS A 13 -12.872 -7.265 -20.874 1.00 2.20 H new ATOM 0 HD3 LYS A 13 -12.711 -5.736 -21.715 1.00 2.20 H new ATOM 0 HE2 LYS A 13 -14.232 -7.036 -23.015 1.00 52.04 H new ATOM 0 HE3 LYS A 13 -12.722 -7.035 -23.904 1.00 52.04 H new ATOM 0 HZ1 LYS A 13 -13.684 -9.241 -23.812 1.00 43.00 H new ATOM 0 HZ2 LYS A 13 -12.207 -9.218 -22.976 1.00 43.00 H new ATOM 0 HZ3 LYS A 13 -13.670 -9.219 -22.114 1.00 43.00 H new ATOM 226 N GLY A 14 -8.131 -3.717 -20.381 1.00 53.21 N ATOM 227 CA GLY A 14 -7.613 -2.732 -19.450 1.00 24.34 C ATOM 228 C GLY A 14 -7.551 -3.255 -18.028 1.00 53.01 C ATOM 229 O GLY A 14 -7.958 -2.570 -17.089 1.00 75.24 O ATOM 0 H GLY A 14 -7.463 -4.435 -20.662 1.00 53.21 H new ATOM 0 HA2 GLY A 14 -6.615 -2.428 -19.766 1.00 24.34 H new ATOM 0 HA3 GLY A 14 -8.242 -1.842 -19.480 1.00 24.34 H new ATOM 233 N TYR A 15 -7.043 -4.472 -17.868 1.00 42.34 N ATOM 234 CA TYR A 15 -6.934 -5.088 -16.551 1.00 43.43 C ATOM 235 C TYR A 15 -5.688 -5.964 -16.461 1.00 42.41 C ATOM 236 O TYR A 15 -5.013 -6.207 -17.460 1.00 63.52 O ATOM 237 CB TYR A 15 -8.180 -5.922 -16.250 1.00 50.33 C ATOM 238 CG TYR A 15 -8.215 -7.244 -16.983 1.00 53.20 C ATOM 239 CD1 TYR A 15 -7.606 -8.373 -16.450 1.00 45.40 C ATOM 240 CD2 TYR A 15 -8.860 -7.364 -18.208 1.00 63.23 C ATOM 241 CE1 TYR A 15 -7.635 -9.582 -17.117 1.00 23.25 C ATOM 242 CE2 TYR A 15 -8.895 -8.570 -18.881 1.00 73.22 C ATOM 243 CZ TYR A 15 -8.281 -9.676 -18.332 1.00 21.15 C ATOM 244 OH TYR A 15 -8.314 -10.880 -18.998 1.00 5.41 O ATOM 0 H TYR A 15 -6.700 -5.051 -18.634 1.00 42.34 H new ATOM 0 HA TYR A 15 -6.851 -4.292 -15.811 1.00 43.43 H new ATOM 0 HB2 TYR A 15 -8.231 -6.109 -15.177 1.00 50.33 H new ATOM 0 HB3 TYR A 15 -9.066 -5.345 -16.516 1.00 50.33 H new ATOM 0 HD1 TYR A 15 -7.101 -8.304 -15.498 1.00 45.40 H new ATOM 0 HD2 TYR A 15 -9.342 -6.500 -18.641 1.00 63.23 H new ATOM 0 HE1 TYR A 15 -7.154 -10.449 -16.689 1.00 23.25 H new ATOM 0 HE2 TYR A 15 -9.401 -8.646 -19.832 1.00 73.22 H new ATOM 0 HH TYR A 15 -8.809 -10.776 -19.837 1.00 5.41 H new ATOM 254 N GLY A 16 -5.390 -6.435 -15.254 1.00 42.00 N ATOM 255 CA GLY A 16 -4.226 -7.279 -15.054 1.00 35.22 C ATOM 256 C GLY A 16 -4.088 -7.745 -13.618 1.00 13.11 C ATOM 257 O GLY A 16 -4.907 -7.401 -12.765 1.00 24.14 O ATOM 0 H GLY A 16 -5.933 -6.247 -14.411 1.00 42.00 H new ATOM 0 HA2 GLY A 16 -4.293 -8.147 -15.710 1.00 35.22 H new ATOM 0 HA3 GLY A 16 -3.329 -6.731 -15.343 1.00 35.22 H new ATOM 261 N PHE A 17 -3.051 -8.531 -13.350 1.00 20.02 N ATOM 262 CA PHE A 17 -2.810 -9.047 -12.007 1.00 62.24 C ATOM 263 C PHE A 17 -1.329 -8.959 -11.649 1.00 13.04 C ATOM 264 O PHE A 17 -0.461 -9.196 -12.489 1.00 51.10 O ATOM 265 CB PHE A 17 -3.286 -10.498 -11.903 1.00 10.54 C ATOM 266 CG PHE A 17 -4.772 -10.629 -11.726 1.00 22.41 C ATOM 267 CD1 PHE A 17 -5.636 -10.321 -12.764 1.00 32.41 C ATOM 268 CD2 PHE A 17 -5.304 -11.061 -10.522 1.00 1.25 C ATOM 269 CE1 PHE A 17 -7.004 -10.442 -12.605 1.00 0.12 C ATOM 270 CE2 PHE A 17 -6.671 -11.184 -10.357 1.00 4.33 C ATOM 271 CZ PHE A 17 -7.522 -10.873 -11.399 1.00 43.32 C ATOM 0 H PHE A 17 -2.364 -8.825 -14.044 1.00 20.02 H new ATOM 0 HA PHE A 17 -3.373 -8.435 -11.302 1.00 62.24 H new ATOM 0 HB2 PHE A 17 -2.986 -11.036 -12.802 1.00 10.54 H new ATOM 0 HB3 PHE A 17 -2.784 -10.978 -11.063 1.00 10.54 H new ATOM 0 HD1 PHE A 17 -5.236 -9.982 -13.708 1.00 32.41 H new ATOM 0 HD2 PHE A 17 -4.643 -11.304 -9.703 1.00 1.25 H new ATOM 0 HE1 PHE A 17 -7.667 -10.200 -13.423 1.00 0.12 H new ATOM 0 HE2 PHE A 17 -7.073 -11.523 -9.414 1.00 4.33 H new ATOM 0 HZ PHE A 17 -8.590 -10.967 -11.271 1.00 43.32 H new ATOM 281 N ILE A 18 -1.050 -8.616 -10.396 1.00 21.23 N ATOM 282 CA ILE A 18 0.325 -8.497 -9.925 1.00 74.03 C ATOM 283 C ILE A 18 0.591 -9.445 -8.761 1.00 1.33 C ATOM 284 O ILE A 18 -0.316 -9.775 -7.997 1.00 43.11 O ATOM 285 CB ILE A 18 0.646 -7.057 -9.484 1.00 52.24 C ATOM 286 CG1 ILE A 18 0.398 -6.080 -10.636 1.00 62.41 C ATOM 287 CG2 ILE A 18 2.085 -6.960 -9.001 1.00 11.55 C ATOM 288 CD1 ILE A 18 0.021 -4.689 -10.178 1.00 43.11 C ATOM 0 H ILE A 18 -1.757 -8.416 -9.689 1.00 21.23 H new ATOM 0 HA ILE A 18 0.970 -8.764 -10.762 1.00 74.03 H new ATOM 0 HB ILE A 18 -0.013 -6.790 -8.658 1.00 52.24 H new ATOM 0 HG12 ILE A 18 1.296 -6.020 -11.251 1.00 62.41 H new ATOM 0 HG13 ILE A 18 -0.397 -6.473 -11.270 1.00 62.41 H new ATOM 0 HG21 ILE A 18 2.297 -5.936 -8.693 1.00 11.55 H new ATOM 0 HG22 ILE A 18 2.231 -7.631 -8.155 1.00 11.55 H new ATOM 0 HG23 ILE A 18 2.760 -7.243 -9.809 1.00 11.55 H new ATOM 0 HD11 ILE A 18 -0.140 -4.051 -11.047 1.00 43.11 H new ATOM 0 HD12 ILE A 18 -0.894 -4.736 -9.588 1.00 43.11 H new ATOM 0 HD13 ILE A 18 0.825 -4.276 -9.568 1.00 43.11 H new ATOM 300 N GLN A 19 1.841 -9.877 -8.631 1.00 3.44 N ATOM 301 CA GLN A 19 2.227 -10.786 -7.558 1.00 3.42 C ATOM 302 C GLN A 19 3.354 -10.191 -6.720 1.00 24.22 C ATOM 303 O GLN A 19 4.446 -9.932 -7.226 1.00 72.21 O ATOM 304 CB GLN A 19 2.661 -12.134 -8.135 1.00 23.12 C ATOM 305 CG GLN A 19 1.540 -12.886 -8.833 1.00 60.41 C ATOM 306 CD GLN A 19 1.013 -12.151 -10.050 1.00 21.04 C ATOM 307 OE1 GLN A 19 1.778 -11.552 -10.806 1.00 55.25 O ATOM 308 NE2 GLN A 19 -0.300 -12.193 -10.244 1.00 42.13 N ATOM 0 H GLN A 19 2.603 -9.613 -9.255 1.00 3.44 H new ATOM 0 HA GLN A 19 1.361 -10.937 -6.914 1.00 3.42 H new ATOM 0 HB2 GLN A 19 3.474 -11.972 -8.843 1.00 23.12 H new ATOM 0 HB3 GLN A 19 3.057 -12.754 -7.330 1.00 23.12 H new ATOM 0 HG2 GLN A 19 1.900 -13.869 -9.135 1.00 60.41 H new ATOM 0 HG3 GLN A 19 0.723 -13.048 -8.129 1.00 60.41 H new ATOM 0 HE21 GLN A 19 -0.896 -12.702 -9.591 1.00 42.13 H new ATOM 0 HE22 GLN A 19 -0.713 -11.716 -11.046 1.00 42.13 H new ATOM 317 N GLN A 20 3.082 -9.978 -5.437 1.00 13.54 N ATOM 318 CA GLN A 20 4.073 -9.412 -4.529 1.00 64.43 C ATOM 319 C GLN A 20 4.694 -10.498 -3.656 1.00 70.25 C ATOM 320 O GLN A 20 4.533 -11.689 -3.923 1.00 14.42 O ATOM 321 CB GLN A 20 3.436 -8.336 -3.649 1.00 35.41 C ATOM 322 CG GLN A 20 2.351 -8.869 -2.727 1.00 34.01 C ATOM 323 CD GLN A 20 2.272 -8.108 -1.418 1.00 74.11 C ATOM 324 OE1 GLN A 20 1.198 -7.667 -1.007 1.00 31.42 O ATOM 325 NE2 GLN A 20 3.411 -7.950 -0.755 1.00 43.33 N ATOM 0 H GLN A 20 2.184 -10.189 -5.002 1.00 13.54 H new ATOM 0 HA GLN A 20 4.861 -8.959 -5.130 1.00 64.43 H new ATOM 0 HB2 GLN A 20 4.213 -7.863 -3.048 1.00 35.41 H new ATOM 0 HB3 GLN A 20 3.011 -7.561 -4.287 1.00 35.41 H new ATOM 0 HG2 GLN A 20 1.388 -8.812 -3.235 1.00 34.01 H new ATOM 0 HG3 GLN A 20 2.541 -9.922 -2.520 1.00 34.01 H new ATOM 0 HE21 GLN A 20 4.278 -8.332 -1.133 1.00 43.33 H new ATOM 0 HE22 GLN A 20 3.419 -7.447 0.132 1.00 43.33 H new ATOM 397 N VAL A 26 -3.315 -9.759 -7.252 1.00 1.44 N ATOM 398 CA VAL A 26 -4.047 -8.538 -6.935 1.00 3.02 C ATOM 399 C VAL A 26 -4.842 -8.046 -8.139 1.00 33.14 C ATOM 400 O VAL A 26 -4.460 -8.278 -9.286 1.00 32.22 O ATOM 401 CB VAL A 26 -3.096 -7.419 -6.469 1.00 54.21 C ATOM 402 CG1 VAL A 26 -2.664 -6.560 -7.648 1.00 70.40 C ATOM 403 CG2 VAL A 26 -3.760 -6.569 -5.396 1.00 20.54 C ATOM 0 HA VAL A 26 -4.734 -8.782 -6.125 1.00 3.02 H new ATOM 0 HB VAL A 26 -2.206 -7.878 -6.039 1.00 54.21 H new ATOM 0 HG11 VAL A 26 -1.993 -5.775 -7.300 1.00 70.40 H new ATOM 0 HG12 VAL A 26 -2.148 -7.181 -8.380 1.00 70.40 H new ATOM 0 HG13 VAL A 26 -3.542 -6.108 -8.110 1.00 70.40 H new ATOM 0 HG21 VAL A 26 -3.074 -5.783 -5.078 1.00 20.54 H new ATOM 0 HG22 VAL A 26 -4.667 -6.118 -5.799 1.00 20.54 H new ATOM 0 HG23 VAL A 26 -4.015 -7.196 -4.541 1.00 20.54 H new ATOM 413 N PHE A 27 -5.951 -7.365 -7.870 1.00 0.42 N ATOM 414 CA PHE A 27 -6.802 -6.839 -8.931 1.00 61.42 C ATOM 415 C PHE A 27 -6.302 -5.478 -9.406 1.00 22.22 C ATOM 416 O PHE A 27 -6.311 -4.504 -8.653 1.00 43.13 O ATOM 417 CB PHE A 27 -8.248 -6.723 -8.444 1.00 43.31 C ATOM 418 CG PHE A 27 -9.265 -6.989 -9.516 1.00 61.45 C ATOM 419 CD1 PHE A 27 -9.262 -8.189 -10.210 1.00 2.10 C ATOM 420 CD2 PHE A 27 -10.224 -6.040 -9.831 1.00 70.25 C ATOM 421 CE1 PHE A 27 -10.197 -8.438 -11.197 1.00 43.32 C ATOM 422 CE2 PHE A 27 -11.162 -6.284 -10.817 1.00 44.43 C ATOM 423 CZ PHE A 27 -11.147 -7.483 -11.502 1.00 32.12 C ATOM 0 H PHE A 27 -6.281 -7.164 -6.926 1.00 0.42 H new ATOM 0 HA PHE A 27 -6.763 -7.533 -9.771 1.00 61.42 H new ATOM 0 HB2 PHE A 27 -8.404 -7.424 -7.624 1.00 43.31 H new ATOM 0 HB3 PHE A 27 -8.408 -5.722 -8.042 1.00 43.31 H new ATOM 0 HD1 PHE A 27 -8.520 -8.938 -9.977 1.00 2.10 H new ATOM 0 HD2 PHE A 27 -10.239 -5.099 -9.301 1.00 70.25 H new ATOM 0 HE1 PHE A 27 -10.185 -9.378 -11.729 1.00 43.32 H new ATOM 0 HE2 PHE A 27 -11.906 -5.537 -11.051 1.00 44.43 H new ATOM 0 HZ PHE A 27 -11.877 -7.674 -12.275 1.00 32.12 H new ATOM 433 N VAL A 28 -5.865 -5.419 -10.660 1.00 32.20 N ATOM 434 CA VAL A 28 -5.361 -4.178 -11.237 1.00 35.45 C ATOM 435 C VAL A 28 -6.130 -3.808 -12.500 1.00 64.03 C ATOM 436 O VAL A 28 -6.528 -4.678 -13.275 1.00 71.31 O ATOM 437 CB VAL A 28 -3.862 -4.284 -11.573 1.00 10.23 C ATOM 438 CG1 VAL A 28 -3.214 -5.406 -10.777 1.00 22.05 C ATOM 439 CG2 VAL A 28 -3.665 -4.496 -13.066 1.00 41.41 C ATOM 0 H VAL A 28 -5.850 -6.216 -11.296 1.00 32.20 H new ATOM 0 HA VAL A 28 -5.503 -3.399 -10.488 1.00 35.45 H new ATOM 0 HB VAL A 28 -3.378 -3.348 -11.295 1.00 10.23 H new ATOM 0 HG11 VAL A 28 -2.155 -5.465 -11.028 1.00 22.05 H new ATOM 0 HG12 VAL A 28 -3.324 -5.206 -9.711 1.00 22.05 H new ATOM 0 HG13 VAL A 28 -3.698 -6.352 -11.021 1.00 22.05 H new ATOM 0 HG21 VAL A 28 -2.600 -4.569 -13.286 1.00 41.41 H new ATOM 0 HG22 VAL A 28 -4.162 -5.417 -13.371 1.00 41.41 H new ATOM 0 HG23 VAL A 28 -4.092 -3.655 -13.612 1.00 41.41 H new ATOM 449 N HIS A 29 -6.334 -2.510 -12.703 1.00 70.30 N ATOM 450 CA HIS A 29 -7.054 -2.024 -13.874 1.00 51.35 C ATOM 451 C HIS A 29 -6.482 -0.692 -14.349 1.00 44.55 C ATOM 452 O HIS A 29 -5.769 -0.012 -13.611 1.00 11.44 O ATOM 453 CB HIS A 29 -8.542 -1.869 -13.557 1.00 4.41 C ATOM 454 CG HIS A 29 -9.367 -3.050 -13.965 1.00 14.25 C ATOM 455 ND1 HIS A 29 -10.307 -2.999 -14.972 1.00 73.21 N ATOM 456 CD2 HIS A 29 -9.389 -4.319 -13.495 1.00 60.22 C ATOM 457 CE1 HIS A 29 -10.873 -4.186 -15.104 1.00 3.12 C ATOM 458 NE2 HIS A 29 -10.333 -5.005 -14.219 1.00 63.15 N ATOM 0 H HIS A 29 -6.011 -1.777 -12.072 1.00 70.30 H new ATOM 0 HA HIS A 29 -6.935 -2.756 -14.672 1.00 51.35 H new ATOM 0 HB2 HIS A 29 -8.662 -1.705 -12.486 1.00 4.41 H new ATOM 0 HB3 HIS A 29 -8.922 -0.980 -14.060 1.00 4.41 H new ATOM 0 HD2 HIS A 29 -8.778 -4.718 -12.699 1.00 60.22 H new ATOM 0 HE1 HIS A 29 -11.645 -4.443 -15.814 1.00 3.12 H new ATOM 0 HE2 HIS A 29 -10.578 -5.987 -14.094 1.00 63.15 H new ATOM 466 N PHE A 30 -6.797 -0.325 -15.587 1.00 73.02 N ATOM 467 CA PHE A 30 -6.313 0.925 -16.161 1.00 60.14 C ATOM 468 C PHE A 30 -6.770 2.119 -15.329 1.00 10.12 C ATOM 469 O PHE A 30 -6.194 3.204 -15.409 1.00 5.41 O ATOM 470 CB PHE A 30 -6.807 1.074 -17.602 1.00 1.11 C ATOM 471 CG PHE A 30 -5.710 0.983 -18.624 1.00 72.01 C ATOM 472 CD1 PHE A 30 -5.226 -0.250 -19.032 1.00 1.42 C ATOM 473 CD2 PHE A 30 -5.164 2.130 -19.178 1.00 31.43 C ATOM 474 CE1 PHE A 30 -4.216 -0.336 -19.972 1.00 33.14 C ATOM 475 CE2 PHE A 30 -4.154 2.049 -20.118 1.00 55.34 C ATOM 476 CZ PHE A 30 -3.681 0.815 -20.517 1.00 22.35 C ATOM 0 H PHE A 30 -7.386 -0.876 -16.212 1.00 73.02 H new ATOM 0 HA PHE A 30 -5.223 0.899 -16.158 1.00 60.14 H new ATOM 0 HB2 PHE A 30 -7.547 0.300 -17.806 1.00 1.11 H new ATOM 0 HB3 PHE A 30 -7.312 2.034 -17.707 1.00 1.11 H new ATOM 0 HD1 PHE A 30 -5.642 -1.153 -18.611 1.00 1.42 H new ATOM 0 HD2 PHE A 30 -5.532 3.098 -18.872 1.00 31.43 H new ATOM 0 HE1 PHE A 30 -3.845 -1.303 -20.280 1.00 33.14 H new ATOM 0 HE2 PHE A 30 -3.735 2.951 -20.540 1.00 55.34 H new ATOM 0 HZ PHE A 30 -2.894 0.750 -21.254 1.00 22.35 H new ATOM 486 N THR A 31 -7.811 1.911 -14.529 1.00 14.42 N ATOM 487 CA THR A 31 -8.348 2.970 -13.682 1.00 70.45 C ATOM 488 C THR A 31 -7.639 3.008 -12.334 1.00 21.34 C ATOM 489 O THR A 31 -7.986 3.804 -11.462 1.00 20.44 O ATOM 490 CB THR A 31 -9.860 2.790 -13.450 1.00 12.42 C ATOM 491 OG1 THR A 31 -10.483 2.290 -14.638 1.00 42.23 O ATOM 492 CG2 THR A 31 -10.506 4.108 -13.049 1.00 41.21 C ATOM 0 H THR A 31 -8.299 1.019 -14.450 1.00 14.42 H new ATOM 0 HA THR A 31 -8.178 3.911 -14.205 1.00 70.45 H new ATOM 0 HB THR A 31 -9.998 2.074 -12.640 1.00 12.42 H new ATOM 0 HG1 THR A 31 -11.444 2.177 -14.481 1.00 42.23 H new ATOM 0 HG21 THR A 31 -11.574 3.956 -12.890 1.00 41.21 H new ATOM 0 HG22 THR A 31 -10.050 4.471 -12.128 1.00 41.21 H new ATOM 0 HG23 THR A 31 -10.357 4.842 -13.841 1.00 41.21 H new ATOM 500 N ALA A 32 -6.643 2.143 -12.169 1.00 73.21 N ATOM 501 CA ALA A 32 -5.883 2.080 -10.927 1.00 15.02 C ATOM 502 C ALA A 32 -4.388 2.220 -11.190 1.00 70.43 C ATOM 503 O ALA A 32 -3.585 2.257 -10.258 1.00 1.03 O ATOM 504 CB ALA A 32 -6.173 0.777 -10.196 1.00 53.22 C ATOM 0 H ALA A 32 -6.344 1.476 -12.881 1.00 73.21 H new ATOM 0 HA ALA A 32 -6.194 2.914 -10.297 1.00 15.02 H new ATOM 0 HB1 ALA A 32 -5.599 0.744 -9.270 1.00 53.22 H new ATOM 0 HB2 ALA A 32 -7.237 0.718 -9.965 1.00 53.22 H new ATOM 0 HB3 ALA A 32 -5.892 -0.065 -10.828 1.00 53.22 H new ATOM 510 N ILE A 33 -4.021 2.295 -12.465 1.00 52.31 N ATOM 511 CA ILE A 33 -2.622 2.431 -12.850 1.00 41.01 C ATOM 512 C ILE A 33 -2.167 3.884 -12.765 1.00 23.15 C ATOM 513 O ILE A 33 -2.799 4.776 -13.328 1.00 43.44 O ATOM 514 CB ILE A 33 -2.378 1.912 -14.280 1.00 34.15 C ATOM 515 CG1 ILE A 33 -2.613 0.401 -14.344 1.00 12.32 C ATOM 516 CG2 ILE A 33 -0.967 2.254 -14.734 1.00 74.10 C ATOM 517 CD1 ILE A 33 -2.917 -0.104 -15.737 1.00 32.24 C ATOM 0 H ILE A 33 -4.673 2.264 -13.249 1.00 52.31 H new ATOM 0 HA ILE A 33 -2.043 1.829 -12.150 1.00 41.01 H new ATOM 0 HB ILE A 33 -3.083 2.399 -14.953 1.00 34.15 H new ATOM 0 HG12 ILE A 33 -1.729 -0.112 -13.965 1.00 12.32 H new ATOM 0 HG13 ILE A 33 -3.440 0.142 -13.684 1.00 12.32 H new ATOM 0 HG21 ILE A 33 -0.810 1.881 -15.746 1.00 74.10 H new ATOM 0 HG22 ILE A 33 -0.833 3.336 -14.721 1.00 74.10 H new ATOM 0 HG23 ILE A 33 -0.246 1.791 -14.061 1.00 74.10 H new ATOM 0 HD11 ILE A 33 -3.072 -1.182 -15.707 1.00 32.24 H new ATOM 0 HD12 ILE A 33 -3.818 0.382 -16.112 1.00 32.24 H new ATOM 0 HD13 ILE A 33 -2.080 0.124 -16.397 1.00 32.24 H new ATOM 529 N GLU A 34 -1.065 4.112 -12.057 1.00 2.44 N ATOM 530 CA GLU A 34 -0.525 5.458 -11.899 1.00 25.54 C ATOM 531 C GLU A 34 0.800 5.603 -12.643 1.00 31.25 C ATOM 532 O GLU A 34 1.863 5.293 -12.105 1.00 52.13 O ATOM 533 CB GLU A 34 -0.327 5.781 -10.416 1.00 55.01 C ATOM 534 CG GLU A 34 -1.548 5.484 -9.561 1.00 24.32 C ATOM 535 CD GLU A 34 -2.082 6.716 -8.858 1.00 1.51 C ATOM 536 OE1 GLU A 34 -1.264 7.517 -8.359 1.00 22.25 O ATOM 537 OE2 GLU A 34 -3.319 6.881 -8.808 1.00 20.32 O ATOM 0 H GLU A 34 -0.529 3.384 -11.585 1.00 2.44 H new ATOM 0 HA GLU A 34 -1.241 6.161 -12.325 1.00 25.54 H new ATOM 0 HB2 GLU A 34 0.519 5.208 -10.038 1.00 55.01 H new ATOM 0 HB3 GLU A 34 -0.070 6.835 -10.313 1.00 55.01 H new ATOM 0 HG2 GLU A 34 -2.332 5.060 -10.189 1.00 24.32 H new ATOM 0 HG3 GLU A 34 -1.291 4.729 -8.818 1.00 24.32 H new ATOM 631 N LEU A 41 1.521 -2.566 -18.791 1.00 51.44 N ATOM 632 CA LEU A 41 2.593 -3.337 -18.173 1.00 24.12 C ATOM 633 C LEU A 41 2.999 -4.512 -19.057 1.00 44.43 C ATOM 634 O LEU A 41 2.325 -4.826 -20.037 1.00 14.04 O ATOM 635 CB LEU A 41 2.155 -3.846 -16.799 1.00 31.33 C ATOM 636 CG LEU A 41 1.330 -2.874 -15.954 1.00 63.13 C ATOM 637 CD1 LEU A 41 0.951 -3.510 -14.626 1.00 75.11 C ATOM 638 CD2 LEU A 41 2.099 -1.580 -15.728 1.00 33.32 C ATOM 0 HA LEU A 41 3.456 -2.681 -18.053 1.00 24.12 H new ATOM 0 HB2 LEU A 41 1.574 -4.757 -16.940 1.00 31.33 H new ATOM 0 HB3 LEU A 41 3.046 -4.121 -16.235 1.00 31.33 H new ATOM 0 HG LEU A 41 0.413 -2.639 -16.495 1.00 63.13 H new ATOM 0 HD11 LEU A 41 0.364 -2.804 -14.039 1.00 75.11 H new ATOM 0 HD12 LEU A 41 0.361 -4.408 -14.808 1.00 75.11 H new ATOM 0 HD13 LEU A 41 1.855 -3.775 -14.078 1.00 75.11 H new ATOM 0 HD21 LEU A 41 1.497 -0.900 -15.125 1.00 33.32 H new ATOM 0 HD22 LEU A 41 3.032 -1.797 -15.208 1.00 33.32 H new ATOM 0 HD23 LEU A 41 2.319 -1.115 -16.689 1.00 33.32 H new ATOM 650 N ASN A 42 4.106 -5.158 -18.703 1.00 55.31 N ATOM 651 CA ASN A 42 4.601 -6.299 -19.464 1.00 33.20 C ATOM 652 C ASN A 42 4.876 -7.487 -18.546 1.00 51.52 C ATOM 653 O ASN A 42 5.528 -7.346 -17.512 1.00 54.41 O ATOM 654 CB ASN A 42 5.875 -5.920 -20.222 1.00 13.25 C ATOM 655 CG ASN A 42 5.776 -4.553 -20.870 1.00 41.43 C ATOM 656 OD1 ASN A 42 6.018 -3.530 -20.229 1.00 31.02 O ATOM 657 ND2 ASN A 42 5.419 -4.529 -22.149 1.00 60.11 N ATOM 0 H ASN A 42 4.677 -4.911 -17.894 1.00 55.31 H new ATOM 0 HA ASN A 42 3.832 -6.587 -20.181 1.00 33.20 H new ATOM 0 HB2 ASN A 42 6.721 -5.933 -19.535 1.00 13.25 H new ATOM 0 HB3 ASN A 42 6.075 -6.669 -20.988 1.00 13.25 H new ATOM 0 HD21 ASN A 42 5.336 -3.638 -22.639 1.00 60.11 H new ATOM 0 HD22 ASN A 42 5.228 -5.401 -22.642 1.00 60.11 H new ATOM 664 N GLU A 43 4.375 -8.655 -18.933 1.00 72.53 N ATOM 665 CA GLU A 43 4.567 -9.867 -18.145 1.00 11.12 C ATOM 666 C GLU A 43 6.043 -10.076 -17.819 1.00 40.14 C ATOM 667 O GLU A 43 6.908 -9.923 -18.681 1.00 74.43 O ATOM 668 CB GLU A 43 4.022 -11.083 -18.897 1.00 31.14 C ATOM 669 CG GLU A 43 4.233 -12.397 -18.163 1.00 14.22 C ATOM 670 CD GLU A 43 3.953 -13.604 -19.036 1.00 72.33 C ATOM 671 OE1 GLU A 43 3.358 -13.427 -20.120 1.00 14.22 O ATOM 672 OE2 GLU A 43 4.328 -14.726 -18.637 1.00 25.11 O ATOM 0 H GLU A 43 3.833 -8.788 -19.787 1.00 72.53 H new ATOM 0 HA GLU A 43 4.019 -9.752 -17.210 1.00 11.12 H new ATOM 0 HB2 GLU A 43 2.956 -10.942 -19.074 1.00 31.14 H new ATOM 0 HB3 GLU A 43 4.502 -11.141 -19.874 1.00 31.14 H new ATOM 0 HG2 GLU A 43 5.260 -12.446 -17.801 1.00 14.22 H new ATOM 0 HG3 GLU A 43 3.584 -12.428 -17.288 1.00 14.22 H new ATOM 679 N GLY A 44 6.323 -10.426 -16.568 1.00 4.14 N ATOM 680 CA GLY A 44 7.695 -10.649 -16.149 1.00 70.44 C ATOM 681 C GLY A 44 8.350 -9.392 -15.613 1.00 33.15 C ATOM 682 O GLY A 44 9.417 -9.453 -15.004 1.00 3.32 O ATOM 0 H GLY A 44 5.625 -10.559 -15.837 1.00 4.14 H new ATOM 0 HA2 GLY A 44 7.716 -11.422 -15.380 1.00 70.44 H new ATOM 0 HA3 GLY A 44 8.273 -11.024 -16.994 1.00 70.44 H new ATOM 686 N GLU A 45 7.709 -8.250 -15.840 1.00 41.31 N ATOM 687 CA GLU A 45 8.238 -6.972 -15.376 1.00 63.55 C ATOM 688 C GLU A 45 7.769 -6.673 -13.956 1.00 5.25 C ATOM 689 O GLU A 45 6.782 -7.237 -13.484 1.00 15.32 O ATOM 690 CB GLU A 45 7.806 -5.845 -16.316 1.00 44.22 C ATOM 691 CG GLU A 45 8.506 -4.524 -16.044 1.00 3.11 C ATOM 692 CD GLU A 45 8.835 -3.765 -17.315 1.00 13.12 C ATOM 693 OE1 GLU A 45 9.938 -3.975 -17.862 1.00 55.22 O ATOM 694 OE2 GLU A 45 7.990 -2.961 -17.762 1.00 31.32 O ATOM 0 H GLU A 45 6.824 -8.183 -16.342 1.00 41.31 H new ATOM 0 HA GLU A 45 9.326 -7.037 -15.374 1.00 63.55 H new ATOM 0 HB2 GLU A 45 8.003 -6.146 -17.345 1.00 44.22 H new ATOM 0 HB3 GLU A 45 6.729 -5.701 -16.227 1.00 44.22 H new ATOM 0 HG2 GLU A 45 7.872 -3.905 -15.410 1.00 3.11 H new ATOM 0 HG3 GLU A 45 9.425 -4.712 -15.489 1.00 3.11 H new ATOM 701 N HIS A 46 8.486 -5.782 -13.278 1.00 10.52 N ATOM 702 CA HIS A 46 8.144 -5.406 -11.910 1.00 60.24 C ATOM 703 C HIS A 46 7.281 -4.148 -11.892 1.00 62.00 C ATOM 704 O HIS A 46 7.518 -3.209 -12.652 1.00 61.24 O ATOM 705 CB HIS A 46 9.413 -5.180 -11.089 1.00 24.24 C ATOM 706 CG HIS A 46 10.546 -6.080 -11.476 1.00 31.50 C ATOM 707 ND1 HIS A 46 10.832 -7.257 -10.816 1.00 12.11 N ATOM 708 CD2 HIS A 46 11.465 -5.972 -12.464 1.00 2.15 C ATOM 709 CE1 HIS A 46 11.879 -7.832 -11.380 1.00 21.15 C ATOM 710 NE2 HIS A 46 12.282 -7.073 -12.382 1.00 42.42 N ATOM 0 H HIS A 46 9.307 -5.307 -13.653 1.00 10.52 H new ATOM 0 HA HIS A 46 7.574 -6.222 -11.466 1.00 60.24 H new ATOM 0 HB2 HIS A 46 9.729 -4.143 -11.202 1.00 24.24 H new ATOM 0 HB3 HIS A 46 9.185 -5.330 -10.034 1.00 24.24 H new ATOM 0 HD2 HIS A 46 11.542 -5.170 -13.183 1.00 2.15 H new ATOM 0 HE1 HIS A 46 12.329 -8.765 -11.073 1.00 21.15 H new ATOM 0 HE2 HIS A 46 13.072 -7.272 -12.996 1.00 42.42 H new ATOM 718 N VAL A 47 6.279 -4.136 -11.019 1.00 72.31 N ATOM 719 CA VAL A 47 5.381 -2.994 -10.901 1.00 53.24 C ATOM 720 C VAL A 47 4.758 -2.925 -9.511 1.00 44.24 C ATOM 721 O VAL A 47 4.440 -3.951 -8.912 1.00 60.21 O ATOM 722 CB VAL A 47 4.257 -3.053 -11.953 1.00 13.32 C ATOM 723 CG1 VAL A 47 4.839 -3.051 -13.358 1.00 1.10 C ATOM 724 CG2 VAL A 47 3.383 -4.278 -11.730 1.00 64.33 C ATOM 0 H VAL A 47 6.069 -4.905 -10.383 1.00 72.31 H new ATOM 0 HA VAL A 47 5.982 -2.100 -11.071 1.00 53.24 H new ATOM 0 HB VAL A 47 3.634 -2.166 -11.844 1.00 13.32 H new ATOM 0 HG11 VAL A 47 4.030 -3.093 -14.087 1.00 1.10 H new ATOM 0 HG12 VAL A 47 5.418 -2.140 -13.511 1.00 1.10 H new ATOM 0 HG13 VAL A 47 5.487 -3.918 -13.485 1.00 1.10 H new ATOM 0 HG21 VAL A 47 2.594 -4.304 -12.482 1.00 64.33 H new ATOM 0 HG22 VAL A 47 3.991 -5.179 -11.811 1.00 64.33 H new ATOM 0 HG23 VAL A 47 2.936 -4.230 -10.737 1.00 64.33 H new ATOM 734 N GLU A 48 4.588 -1.708 -9.005 1.00 54.51 N ATOM 735 CA GLU A 48 4.003 -1.505 -7.685 1.00 21.34 C ATOM 736 C GLU A 48 2.480 -1.465 -7.764 1.00 73.32 C ATOM 737 O GLU A 48 1.908 -1.289 -8.840 1.00 14.40 O ATOM 738 CB GLU A 48 4.527 -0.208 -7.064 1.00 35.31 C ATOM 739 CG GLU A 48 4.220 -0.076 -5.582 1.00 1.14 C ATOM 740 CD GLU A 48 5.020 1.027 -4.917 1.00 3.32 C ATOM 741 OE1 GLU A 48 6.076 1.408 -5.464 1.00 70.13 O ATOM 742 OE2 GLU A 48 4.590 1.510 -3.848 1.00 51.13 O ATOM 0 H GLU A 48 4.847 -0.848 -9.489 1.00 54.51 H new ATOM 0 HA GLU A 48 4.294 -2.345 -7.054 1.00 21.34 H new ATOM 0 HB2 GLU A 48 5.606 -0.156 -7.209 1.00 35.31 H new ATOM 0 HB3 GLU A 48 4.093 0.640 -7.593 1.00 35.31 H new ATOM 0 HG2 GLU A 48 3.156 0.122 -5.451 1.00 1.14 H new ATOM 0 HG3 GLU A 48 4.431 -1.023 -5.085 1.00 1.14 H new ATOM 749 N PHE A 49 1.829 -1.631 -6.618 1.00 33.43 N ATOM 750 CA PHE A 49 0.372 -1.616 -6.557 1.00 32.03 C ATOM 751 C PHE A 49 -0.111 -1.496 -5.114 1.00 61.11 C ATOM 752 O PHE A 49 0.324 -2.245 -4.240 1.00 12.44 O ATOM 753 CB PHE A 49 -0.200 -2.884 -7.194 1.00 21.32 C ATOM 754 CG PHE A 49 0.148 -4.140 -6.447 1.00 1.25 C ATOM 755 CD1 PHE A 49 1.347 -4.793 -6.684 1.00 35.50 C ATOM 756 CD2 PHE A 49 -0.723 -4.666 -5.506 1.00 61.12 C ATOM 757 CE1 PHE A 49 1.669 -5.949 -5.998 1.00 74.32 C ATOM 758 CE2 PHE A 49 -0.406 -5.822 -4.817 1.00 1.50 C ATOM 759 CZ PHE A 49 0.792 -6.463 -5.063 1.00 30.33 C ATOM 0 H PHE A 49 2.287 -1.778 -5.719 1.00 33.43 H new ATOM 0 HA PHE A 49 0.019 -0.748 -7.113 1.00 32.03 H new ATOM 0 HB2 PHE A 49 -1.285 -2.794 -7.252 1.00 21.32 H new ATOM 0 HB3 PHE A 49 0.168 -2.965 -8.217 1.00 21.32 H new ATOM 0 HD1 PHE A 49 2.037 -4.394 -7.413 1.00 35.50 H new ATOM 0 HD2 PHE A 49 -1.660 -4.167 -5.309 1.00 61.12 H new ATOM 0 HE1 PHE A 49 2.606 -6.450 -6.193 1.00 74.32 H new ATOM 0 HE2 PHE A 49 -1.094 -6.223 -4.088 1.00 1.50 H new ATOM 0 HZ PHE A 49 1.043 -7.365 -4.525 1.00 30.33 H new ATOM 769 N GLU A 50 -1.012 -0.548 -4.875 1.00 21.43 N ATOM 770 CA GLU A 50 -1.553 -0.329 -3.538 1.00 65.42 C ATOM 771 C GLU A 50 -2.927 -0.977 -3.395 1.00 0.45 C ATOM 772 O GLU A 50 -3.932 -0.434 -3.855 1.00 30.55 O ATOM 773 CB GLU A 50 -1.649 1.169 -3.242 1.00 25.31 C ATOM 774 CG GLU A 50 -2.643 1.510 -2.145 1.00 31.41 C ATOM 775 CD GLU A 50 -2.181 2.664 -1.277 1.00 54.32 C ATOM 776 OE1 GLU A 50 -1.136 2.524 -0.610 1.00 4.34 O ATOM 777 OE2 GLU A 50 -2.867 3.708 -1.266 1.00 43.44 O ATOM 0 H GLU A 50 -1.382 0.080 -5.588 1.00 21.43 H new ATOM 0 HA GLU A 50 -0.876 -0.791 -2.819 1.00 65.42 H new ATOM 0 HB2 GLU A 50 -0.664 1.538 -2.956 1.00 25.31 H new ATOM 0 HB3 GLU A 50 -1.933 1.694 -4.154 1.00 25.31 H new ATOM 0 HG2 GLU A 50 -3.603 1.761 -2.595 1.00 31.41 H new ATOM 0 HG3 GLU A 50 -2.804 0.632 -1.520 1.00 31.41 H new ATOM 784 N VAL A 51 -2.963 -2.140 -2.753 1.00 65.31 N ATOM 785 CA VAL A 51 -4.213 -2.862 -2.548 1.00 25.23 C ATOM 786 C VAL A 51 -5.184 -2.048 -1.701 1.00 34.31 C ATOM 787 O VAL A 51 -4.858 -1.635 -0.589 1.00 22.53 O ATOM 788 CB VAL A 51 -3.970 -4.222 -1.867 1.00 22.24 C ATOM 789 CG1 VAL A 51 -3.005 -5.065 -2.686 1.00 22.40 C ATOM 790 CG2 VAL A 51 -3.448 -4.023 -0.452 1.00 21.34 C ATOM 0 H VAL A 51 -2.141 -2.603 -2.366 1.00 65.31 H new ATOM 0 HA VAL A 51 -4.647 -3.030 -3.533 1.00 25.23 H new ATOM 0 HB VAL A 51 -4.920 -4.754 -1.808 1.00 22.24 H new ATOM 0 HG11 VAL A 51 -2.846 -6.022 -2.189 1.00 22.40 H new ATOM 0 HG12 VAL A 51 -3.423 -5.236 -3.678 1.00 22.40 H new ATOM 0 HG13 VAL A 51 -2.053 -4.542 -2.779 1.00 22.40 H new ATOM 0 HG21 VAL A 51 -3.282 -4.994 0.014 1.00 21.34 H new ATOM 0 HG22 VAL A 51 -2.509 -3.471 -0.485 1.00 21.34 H new ATOM 0 HG23 VAL A 51 -4.179 -3.461 0.130 1.00 21.34 H new ATOM 800 N GLU A 52 -6.380 -1.822 -2.235 1.00 54.04 N ATOM 801 CA GLU A 52 -7.400 -1.057 -1.528 1.00 11.42 C ATOM 802 C GLU A 52 -8.577 -1.947 -1.139 1.00 41.03 C ATOM 803 O GLU A 52 -8.792 -3.018 -1.708 1.00 0.32 O ATOM 804 CB GLU A 52 -7.890 0.106 -2.394 1.00 61.42 C ATOM 805 CG GLU A 52 -7.443 1.469 -1.894 1.00 24.34 C ATOM 806 CD GLU A 52 -8.393 2.579 -2.298 1.00 3.23 C ATOM 807 OE1 GLU A 52 -9.515 2.267 -2.748 1.00 24.52 O ATOM 808 OE2 GLU A 52 -8.014 3.762 -2.163 1.00 64.33 O ATOM 0 H GLU A 52 -6.666 -2.158 -3.155 1.00 54.04 H new ATOM 0 HA GLU A 52 -6.952 -0.659 -0.618 1.00 11.42 H new ATOM 0 HB2 GLU A 52 -7.529 -0.034 -3.413 1.00 61.42 H new ATOM 0 HB3 GLU A 52 -8.979 0.083 -2.436 1.00 61.42 H new ATOM 0 HG2 GLU A 52 -7.361 1.444 -0.807 1.00 24.34 H new ATOM 0 HG3 GLU A 52 -6.449 1.687 -2.284 1.00 24.34 H new ATOM 815 N PRO A 53 -9.358 -1.495 -0.147 1.00 23.34 N ATOM 816 CA PRO A 53 -10.526 -2.235 0.341 1.00 42.22 C ATOM 817 C PRO A 53 -11.663 -2.257 -0.675 1.00 62.40 C ATOM 818 O PRO A 53 -11.735 -3.148 -1.520 1.00 74.33 O ATOM 819 CB PRO A 53 -10.942 -1.457 1.592 1.00 44.34 C ATOM 820 CG PRO A 53 -10.431 -0.075 1.366 1.00 72.44 C ATOM 821 CD PRO A 53 -9.161 -0.228 0.576 1.00 4.51 C ATOM 0 HA PRO A 53 -10.294 -3.283 0.532 1.00 42.22 H new ATOM 0 HB2 PRO A 53 -12.024 -1.463 1.720 1.00 44.34 H new ATOM 0 HB3 PRO A 53 -10.512 -1.896 2.492 1.00 44.34 H new ATOM 0 HG2 PRO A 53 -11.159 0.526 0.822 1.00 72.44 H new ATOM 0 HG3 PRO A 53 -10.243 0.431 2.313 1.00 72.44 H new ATOM 0 HD2 PRO A 53 -9.011 0.606 -0.109 1.00 4.51 H new ATOM 0 HD3 PRO A 53 -8.286 -0.268 1.225 1.00 4.51 H new ATOM 829 N GLY A 54 -12.549 -1.270 -0.586 1.00 74.54 N ATOM 830 CA GLY A 54 -13.671 -1.196 -1.504 1.00 70.23 C ATOM 831 C GLY A 54 -13.294 -0.566 -2.831 1.00 31.55 C ATOM 832 O GLY A 54 -13.817 0.486 -3.196 1.00 54.15 O ATOM 0 H GLY A 54 -12.510 -0.521 0.105 1.00 74.54 H new ATOM 0 HA2 GLY A 54 -14.060 -2.199 -1.679 1.00 70.23 H new ATOM 0 HA3 GLY A 54 -14.474 -0.618 -1.046 1.00 70.23 H new ATOM 836 N ARG A 55 -12.382 -1.211 -3.552 1.00 15.42 N ATOM 837 CA ARG A 55 -11.934 -0.705 -4.844 1.00 22.33 C ATOM 838 C ARG A 55 -11.940 -1.813 -5.893 1.00 23.33 C ATOM 839 O ARG A 55 -12.336 -1.597 -7.037 1.00 42.31 O ATOM 840 CB ARG A 55 -10.530 -0.110 -4.723 1.00 24.33 C ATOM 841 CG ARG A 55 -10.241 0.981 -5.740 1.00 42.05 C ATOM 842 CD ARG A 55 -10.830 2.315 -5.309 1.00 74.15 C ATOM 843 NE ARG A 55 -11.851 2.789 -6.241 1.00 23.23 N ATOM 844 CZ ARG A 55 -12.528 3.920 -6.076 1.00 22.32 C ATOM 845 NH1 ARG A 55 -12.294 4.689 -5.021 1.00 63.34 N ATOM 846 NH2 ARG A 55 -13.441 4.284 -6.967 1.00 61.31 N ATOM 0 H ARG A 55 -11.940 -2.084 -3.264 1.00 15.42 H new ATOM 0 HA ARG A 55 -12.626 0.075 -5.161 1.00 22.33 H new ATOM 0 HB2 ARG A 55 -10.402 0.297 -3.720 1.00 24.33 H new ATOM 0 HB3 ARG A 55 -9.796 -0.907 -4.839 1.00 24.33 H new ATOM 0 HG2 ARG A 55 -9.164 1.083 -5.870 1.00 42.05 H new ATOM 0 HG3 ARG A 55 -10.653 0.696 -6.708 1.00 42.05 H new ATOM 0 HD2 ARG A 55 -11.265 2.215 -4.315 1.00 74.15 H new ATOM 0 HD3 ARG A 55 -10.034 3.056 -5.236 1.00 74.15 H new ATOM 0 HE ARG A 55 -12.055 2.220 -7.063 1.00 23.23 H new ATOM 0 HH11 ARG A 55 -11.593 4.413 -4.334 1.00 63.34 H new ATOM 0 HH12 ARG A 55 -12.815 5.557 -4.897 1.00 63.34 H new ATOM 0 HH21 ARG A 55 -13.624 3.695 -7.780 1.00 61.31 H new ATOM 0 HH22 ARG A 55 -13.960 5.153 -6.839 1.00 61.31 H new ATOM 860 N GLY A 56 -11.497 -3.002 -5.494 1.00 4.24 N ATOM 861 CA GLY A 56 -11.459 -4.126 -6.411 1.00 5.31 C ATOM 862 C GLY A 56 -12.541 -5.147 -6.122 1.00 50.31 C ATOM 863 O GLY A 56 -12.953 -5.317 -4.976 1.00 32.34 O ATOM 0 H GLY A 56 -11.164 -3.206 -4.552 1.00 4.24 H new ATOM 0 HA2 GLY A 56 -11.571 -3.762 -7.432 1.00 5.31 H new ATOM 0 HA3 GLY A 56 -10.483 -4.608 -6.350 1.00 5.31 H new ATOM 867 N GLY A 57 -13.005 -5.827 -7.166 1.00 65.32 N ATOM 868 CA GLY A 57 -14.043 -6.827 -6.998 1.00 51.13 C ATOM 869 C GLY A 57 -13.739 -7.796 -5.873 1.00 1.32 C ATOM 870 O GLY A 57 -14.523 -7.935 -4.934 1.00 72.11 O ATOM 0 H GLY A 57 -12.681 -5.703 -8.125 1.00 65.32 H new ATOM 0 HA2 GLY A 57 -14.993 -6.330 -6.799 1.00 51.13 H new ATOM 0 HA3 GLY A 57 -14.163 -7.382 -7.929 1.00 51.13 H new ATOM 874 N LYS A 58 -12.597 -8.469 -5.966 1.00 72.04 N ATOM 875 CA LYS A 58 -12.190 -9.431 -4.949 1.00 11.20 C ATOM 876 C LYS A 58 -11.806 -8.723 -3.654 1.00 2.33 C ATOM 877 O LYS A 58 -11.609 -9.361 -2.621 1.00 34.24 O ATOM 878 CB LYS A 58 -11.013 -10.270 -5.453 1.00 13.44 C ATOM 879 CG LYS A 58 -11.426 -11.406 -6.372 1.00 20.22 C ATOM 880 CD LYS A 58 -11.695 -12.683 -5.593 1.00 72.24 C ATOM 881 CE LYS A 58 -13.184 -12.987 -5.518 1.00 3.40 C ATOM 882 NZ LYS A 58 -13.449 -14.451 -5.454 1.00 2.44 N ATOM 0 H LYS A 58 -11.936 -8.366 -6.736 1.00 72.04 H new ATOM 0 HA LYS A 58 -13.036 -10.088 -4.746 1.00 11.20 H new ATOM 0 HB2 LYS A 58 -10.315 -9.621 -5.982 1.00 13.44 H new ATOM 0 HB3 LYS A 58 -10.478 -10.682 -4.597 1.00 13.44 H new ATOM 0 HG2 LYS A 58 -12.321 -11.121 -6.925 1.00 20.22 H new ATOM 0 HG3 LYS A 58 -10.641 -11.585 -7.106 1.00 20.22 H new ATOM 0 HD2 LYS A 58 -11.176 -13.516 -6.067 1.00 72.24 H new ATOM 0 HD3 LYS A 58 -11.291 -12.588 -4.585 1.00 72.24 H new ATOM 0 HE2 LYS A 58 -13.610 -12.502 -4.639 1.00 3.40 H new ATOM 0 HE3 LYS A 58 -13.685 -12.565 -6.389 1.00 3.40 H new ATOM 0 HZ1 LYS A 58 -14.475 -14.616 -5.404 1.00 2.44 H new ATOM 0 HZ2 LYS A 58 -13.065 -14.911 -6.304 1.00 2.44 H new ATOM 0 HZ3 LYS A 58 -12.992 -14.850 -4.609 1.00 2.44 H new ATOM 896 N GLY A 59 -11.702 -7.399 -3.717 1.00 5.44 N ATOM 897 CA GLY A 59 -11.343 -6.626 -2.542 1.00 24.24 C ATOM 898 C GLY A 59 -10.087 -5.803 -2.750 1.00 64.51 C ATOM 899 O GLY A 59 -10.142 -4.603 -3.018 1.00 15.05 O ATOM 0 H GLY A 59 -11.860 -6.848 -4.561 1.00 5.44 H new ATOM 0 HA2 GLY A 59 -12.168 -5.964 -2.281 1.00 24.24 H new ATOM 0 HA3 GLY A 59 -11.196 -7.300 -1.698 1.00 24.24 H new ATOM 903 N PRO A 60 -8.921 -6.454 -2.625 1.00 64.54 N ATOM 904 CA PRO A 60 -7.623 -5.794 -2.797 1.00 31.31 C ATOM 905 C PRO A 60 -7.360 -5.400 -4.246 1.00 73.13 C ATOM 906 O PRO A 60 -7.176 -6.259 -5.108 1.00 54.13 O ATOM 907 CB PRO A 60 -6.621 -6.858 -2.342 1.00 21.10 C ATOM 908 CG PRO A 60 -7.321 -8.155 -2.558 1.00 70.21 C ATOM 909 CD PRO A 60 -8.779 -7.885 -2.308 1.00 70.40 C ATOM 0 HA PRO A 60 -7.562 -4.863 -2.234 1.00 31.31 H new ATOM 0 HB2 PRO A 60 -5.698 -6.805 -2.920 1.00 21.10 H new ATOM 0 HB3 PRO A 60 -6.350 -6.724 -1.295 1.00 21.10 H new ATOM 0 HG2 PRO A 60 -7.160 -8.521 -3.572 1.00 70.21 H new ATOM 0 HG3 PRO A 60 -6.944 -8.920 -1.879 1.00 70.21 H new ATOM 0 HD2 PRO A 60 -9.416 -8.502 -2.942 1.00 70.40 H new ATOM 0 HD3 PRO A 60 -9.055 -8.097 -1.275 1.00 70.40 H new ATOM 917 N GLN A 61 -7.344 -4.097 -4.507 1.00 3.24 N ATOM 918 CA GLN A 61 -7.103 -3.590 -5.853 1.00 34.24 C ATOM 919 C GLN A 61 -5.823 -2.764 -5.903 1.00 3.45 C ATOM 920 O GLN A 61 -5.310 -2.332 -4.870 1.00 72.32 O ATOM 921 CB GLN A 61 -8.289 -2.744 -6.321 1.00 62.52 C ATOM 922 CG GLN A 61 -8.543 -2.829 -7.818 1.00 4.04 C ATOM 923 CD GLN A 61 -9.529 -1.785 -8.302 1.00 51.21 C ATOM 924 OE1 GLN A 61 -9.370 -0.593 -8.036 1.00 62.04 O ATOM 925 NE2 GLN A 61 -10.556 -2.227 -9.018 1.00 34.44 N ATOM 0 H GLN A 61 -7.495 -3.373 -3.804 1.00 3.24 H new ATOM 0 HA GLN A 61 -6.988 -4.444 -6.521 1.00 34.24 H new ATOM 0 HB2 GLN A 61 -9.185 -3.064 -5.790 1.00 62.52 H new ATOM 0 HB3 GLN A 61 -8.112 -1.703 -6.049 1.00 62.52 H new ATOM 0 HG2 GLN A 61 -7.600 -2.707 -8.350 1.00 4.04 H new ATOM 0 HG3 GLN A 61 -8.921 -3.822 -8.063 1.00 4.04 H new ATOM 0 HE21 GLN A 61 -10.649 -3.223 -9.215 1.00 34.44 H new ATOM 0 HE22 GLN A 61 -11.252 -1.570 -9.371 1.00 34.44 H new ATOM 934 N ALA A 62 -5.311 -2.547 -7.110 1.00 24.33 N ATOM 935 CA ALA A 62 -4.091 -1.771 -7.294 1.00 64.21 C ATOM 936 C ALA A 62 -4.389 -0.276 -7.318 1.00 35.04 C ATOM 937 O ALA A 62 -4.061 0.418 -8.280 1.00 13.42 O ATOM 938 CB ALA A 62 -3.387 -2.191 -8.576 1.00 42.11 C ATOM 0 H ALA A 62 -5.722 -2.898 -7.975 1.00 24.33 H new ATOM 0 HA ALA A 62 -3.433 -1.970 -6.448 1.00 64.21 H new ATOM 0 HB1 ALA A 62 -2.477 -1.603 -8.701 1.00 42.11 H new ATOM 0 HB2 ALA A 62 -3.131 -3.249 -8.521 1.00 42.11 H new ATOM 0 HB3 ALA A 62 -4.048 -2.022 -9.426 1.00 42.11 H new ATOM 944 N LYS A 63 -5.015 0.214 -6.253 1.00 2.43 N ATOM 945 CA LYS A 63 -5.358 1.628 -6.150 1.00 31.31 C ATOM 946 C LYS A 63 -4.209 2.504 -6.639 1.00 73.34 C ATOM 947 O LYS A 63 -4.425 3.497 -7.334 1.00 65.15 O ATOM 948 CB LYS A 63 -5.705 1.985 -4.703 1.00 54.40 C ATOM 949 CG LYS A 63 -6.051 3.451 -4.505 1.00 2.11 C ATOM 950 CD LYS A 63 -7.454 3.765 -4.995 1.00 74.43 C ATOM 951 CE LYS A 63 -7.475 4.031 -6.493 1.00 11.34 C ATOM 952 NZ LYS A 63 -8.457 5.091 -6.854 1.00 1.13 N ATOM 0 H LYS A 63 -5.295 -0.347 -5.449 1.00 2.43 H new ATOM 0 HA LYS A 63 -6.227 1.813 -6.782 1.00 31.31 H new ATOM 0 HB2 LYS A 63 -6.548 1.374 -4.379 1.00 54.40 H new ATOM 0 HB3 LYS A 63 -4.861 1.730 -4.062 1.00 54.40 H new ATOM 0 HG2 LYS A 63 -5.968 3.705 -3.448 1.00 2.11 H new ATOM 0 HG3 LYS A 63 -5.331 4.071 -5.039 1.00 2.11 H new ATOM 0 HD2 LYS A 63 -8.117 2.931 -4.763 1.00 74.43 H new ATOM 0 HD3 LYS A 63 -7.840 4.636 -4.464 1.00 74.43 H new ATOM 0 HE2 LYS A 63 -6.480 4.330 -6.823 1.00 11.34 H new ATOM 0 HE3 LYS A 63 -7.723 3.111 -7.022 1.00 11.34 H new ATOM 0 HZ1 LYS A 63 -8.441 5.243 -7.883 1.00 1.13 H new ATOM 0 HZ2 LYS A 63 -9.410 4.795 -6.562 1.00 1.13 H new ATOM 0 HZ3 LYS A 63 -8.206 5.976 -6.369 1.00 1.13 H new ATOM 966 N LYS A 64 -2.988 2.129 -6.274 1.00 31.22 N ATOM 967 CA LYS A 64 -1.804 2.878 -6.678 1.00 32.04 C ATOM 968 C LYS A 64 -0.768 1.957 -7.314 1.00 32.23 C ATOM 969 O LYS A 64 0.028 1.327 -6.617 1.00 44.43 O ATOM 970 CB LYS A 64 -1.193 3.595 -5.471 1.00 61.44 C ATOM 971 CG LYS A 64 -0.739 5.013 -5.772 1.00 74.30 C ATOM 972 CD LYS A 64 -1.480 6.028 -4.918 1.00 30.11 C ATOM 973 CE LYS A 64 -2.950 6.110 -5.299 1.00 34.45 C ATOM 974 NZ LYS A 64 -3.795 6.559 -4.157 1.00 63.11 N ATOM 0 H LYS A 64 -2.792 1.310 -5.698 1.00 31.22 H new ATOM 0 HA LYS A 64 -2.108 3.619 -7.418 1.00 32.04 H new ATOM 0 HB2 LYS A 64 -1.926 3.621 -4.665 1.00 61.44 H new ATOM 0 HB3 LYS A 64 -0.341 3.019 -5.109 1.00 61.44 H new ATOM 0 HG2 LYS A 64 0.333 5.099 -5.593 1.00 74.30 H new ATOM 0 HG3 LYS A 64 -0.905 5.233 -6.827 1.00 74.30 H new ATOM 0 HD2 LYS A 64 -1.390 5.755 -3.867 1.00 30.11 H new ATOM 0 HD3 LYS A 64 -1.018 7.008 -5.033 1.00 30.11 H new ATOM 0 HE2 LYS A 64 -3.071 6.801 -6.134 1.00 34.45 H new ATOM 0 HE3 LYS A 64 -3.291 5.133 -5.641 1.00 34.45 H new ATOM 0 HZ1 LYS A 64 -4.790 6.602 -4.457 1.00 63.11 H new ATOM 0 HZ2 LYS A 64 -3.700 5.887 -3.369 1.00 63.11 H new ATOM 0 HZ3 LYS A 64 -3.486 7.502 -3.846 1.00 63.11 H new ATOM 988 N VAL A 65 -0.784 1.883 -8.641 1.00 5.51 N ATOM 989 CA VAL A 65 0.156 1.041 -9.371 1.00 5.31 C ATOM 990 C VAL A 65 1.296 1.868 -9.955 1.00 41.31 C ATOM 991 O VAL A 65 1.092 2.998 -10.399 1.00 44.41 O ATOM 992 CB VAL A 65 -0.543 0.275 -10.509 1.00 54.33 C ATOM 993 CG1 VAL A 65 0.147 0.545 -11.838 1.00 15.23 C ATOM 994 CG2 VAL A 65 -0.573 -1.215 -10.208 1.00 35.50 C ATOM 0 H VAL A 65 -1.438 2.396 -9.232 1.00 5.51 H new ATOM 0 HA VAL A 65 0.560 0.325 -8.656 1.00 5.31 H new ATOM 0 HB VAL A 65 -1.571 0.628 -10.583 1.00 54.33 H new ATOM 0 HG11 VAL A 65 -0.361 -0.005 -12.630 1.00 15.23 H new ATOM 0 HG12 VAL A 65 0.111 1.612 -12.056 1.00 15.23 H new ATOM 0 HG13 VAL A 65 1.186 0.221 -11.781 1.00 15.23 H new ATOM 0 HG21 VAL A 65 -1.071 -1.741 -11.023 1.00 35.50 H new ATOM 0 HG22 VAL A 65 0.447 -1.586 -10.106 1.00 35.50 H new ATOM 0 HG23 VAL A 65 -1.117 -1.388 -9.279 1.00 35.50 H new ATOM 1004 N ARG A 66 2.496 1.297 -9.952 1.00 42.31 N ATOM 1005 CA ARG A 66 3.669 1.982 -10.481 1.00 44.24 C ATOM 1006 C ARG A 66 4.466 1.063 -11.402 1.00 63.32 C ATOM 1007 O ARG A 66 4.456 -0.157 -11.237 1.00 64.35 O ATOM 1008 CB ARG A 66 4.559 2.472 -9.338 1.00 5.23 C ATOM 1009 CG ARG A 66 3.788 3.127 -8.203 1.00 62.14 C ATOM 1010 CD ARG A 66 4.724 3.691 -7.146 1.00 44.21 C ATOM 1011 NE ARG A 66 5.099 5.074 -7.429 1.00 12.35 N ATOM 1012 CZ ARG A 66 5.685 5.872 -6.543 1.00 42.32 C ATOM 1013 NH1 ARG A 66 5.963 5.427 -5.326 1.00 20.52 N ATOM 1014 NH2 ARG A 66 5.995 7.119 -6.875 1.00 64.01 N ATOM 0 H ARG A 66 2.681 0.362 -9.589 1.00 42.31 H new ATOM 0 HA ARG A 66 3.327 2.840 -11.059 1.00 44.24 H new ATOM 0 HB2 ARG A 66 5.125 1.629 -8.942 1.00 5.23 H new ATOM 0 HB3 ARG A 66 5.283 3.185 -9.733 1.00 5.23 H new ATOM 0 HG2 ARG A 66 3.163 3.926 -8.600 1.00 62.14 H new ATOM 0 HG3 ARG A 66 3.120 2.397 -7.747 1.00 62.14 H new ATOM 0 HD2 ARG A 66 4.242 3.639 -6.170 1.00 44.21 H new ATOM 0 HD3 ARG A 66 5.622 3.076 -7.092 1.00 44.21 H new ATOM 0 HE ARG A 66 4.900 5.447 -8.357 1.00 12.35 H new ATOM 0 HH11 ARG A 66 5.727 4.469 -5.067 1.00 20.52 H new ATOM 0 HH12 ARG A 66 6.413 6.042 -4.648 1.00 20.52 H new ATOM 0 HH21 ARG A 66 5.783 7.465 -7.811 1.00 64.01 H new ATOM 0 HH22 ARG A 66 6.445 7.731 -6.194 1.00 64.01 H new ATOM 1028 N ARG A 67 5.155 1.657 -12.371 1.00 72.35 N ATOM 1029 CA ARG A 67 5.955 0.891 -13.319 1.00 44.24 C ATOM 1030 C ARG A 67 7.379 0.705 -12.803 1.00 20.23 C ATOM 1031 O ARG A 67 8.010 1.654 -12.338 1.00 43.51 O ATOM 1032 CB ARG A 67 5.983 1.592 -14.679 1.00 74.31 C ATOM 1033 CG ARG A 67 6.670 2.947 -14.652 1.00 64.14 C ATOM 1034 CD ARG A 67 6.605 3.632 -16.008 1.00 75.15 C ATOM 1035 NE ARG A 67 7.658 3.169 -16.907 1.00 62.34 N ATOM 1036 CZ ARG A 67 7.996 3.796 -18.029 1.00 1.15 C ATOM 1037 NH1 ARG A 67 7.367 4.907 -18.386 1.00 33.10 N ATOM 1038 NH2 ARG A 67 8.966 3.313 -18.794 1.00 71.43 N ATOM 0 H ARG A 67 5.175 2.666 -12.520 1.00 72.35 H new ATOM 0 HA ARG A 67 5.496 -0.091 -13.433 1.00 44.24 H new ATOM 0 HB2 ARG A 67 6.492 0.950 -15.398 1.00 74.31 H new ATOM 0 HB3 ARG A 67 4.960 1.720 -15.033 1.00 74.31 H new ATOM 0 HG2 ARG A 67 6.199 3.580 -13.900 1.00 64.14 H new ATOM 0 HG3 ARG A 67 7.712 2.822 -14.356 1.00 64.14 H new ATOM 0 HD2 ARG A 67 5.632 3.444 -16.462 1.00 75.15 H new ATOM 0 HD3 ARG A 67 6.691 4.710 -15.874 1.00 75.15 H new ATOM 0 HE ARG A 67 8.162 2.317 -16.660 1.00 62.34 H new ATOM 0 HH11 ARG A 67 6.622 5.282 -17.799 1.00 33.10 H new ATOM 0 HH12 ARG A 67 7.628 5.387 -19.248 1.00 33.10 H new ATOM 0 HH21 ARG A 67 9.453 2.459 -18.521 1.00 71.43 H new ATOM 0 HH22 ARG A 67 9.224 3.795 -19.655 1.00 71.43 H new ATOM 1052 N ILE A 68 7.877 -0.524 -12.887 1.00 22.13 N ATOM 1053 CA ILE A 68 9.226 -0.834 -12.428 1.00 74.23 C ATOM 1054 C ILE A 68 9.911 -1.823 -13.365 1.00 72.30 C ATOM 1055 O ILE A 68 9.868 -3.034 -13.146 1.00 41.01 O ATOM 1056 CB ILE A 68 9.215 -1.417 -11.003 1.00 25.12 C ATOM 1057 CG1 ILE A 68 8.277 -0.609 -10.104 1.00 43.43 C ATOM 1058 CG2 ILE A 68 10.624 -1.435 -10.428 1.00 11.53 C ATOM 1059 CD1 ILE A 68 8.688 -0.606 -8.649 1.00 4.34 C ATOM 0 H ILE A 68 7.367 -1.321 -13.268 1.00 22.13 H new ATOM 0 HA ILE A 68 9.782 0.104 -12.424 1.00 74.23 H new ATOM 0 HB ILE A 68 8.848 -2.443 -11.049 1.00 25.12 H new ATOM 0 HG12 ILE A 68 8.238 0.419 -10.464 1.00 43.43 H new ATOM 0 HG13 ILE A 68 7.269 -1.014 -10.187 1.00 43.43 H new ATOM 0 HG21 ILE A 68 10.600 -1.850 -9.420 1.00 11.53 H new ATOM 0 HG22 ILE A 68 11.266 -2.050 -11.058 1.00 11.53 H new ATOM 0 HG23 ILE A 68 11.016 -0.418 -10.393 1.00 11.53 H new ATOM 0 HD11 ILE A 68 7.978 -0.014 -8.072 1.00 4.34 H new ATOM 0 HD12 ILE A 68 8.699 -1.629 -8.272 1.00 4.34 H new ATOM 0 HD13 ILE A 68 9.684 -0.173 -8.553 1.00 4.34 H new