USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 551 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 38 SER OG : rot 42:sc= 1.95 USER MOD Set 1.2: A 40 LYS NZ :NH3+ 155:sc= 0.755 (180deg=-0.00111) USER MOD Set 2.1: A 33 LYS NZ :NH3+ 158:sc= -0.447 (180deg=0) USER MOD Set 2.2: A 36 ASN : amide:sc= -2.03 K(o=-2.5,f=0.84) USER MOD Set 3.1: A 21 LYS NZ :NH3+ 139:sc= -0.634 (180deg=0) USER MOD Set 3.2: A 65 GLN : amide:sc= -1.07 K(o=-1.7,f=-4.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= -0.18 (180deg=-0.867) USER MOD Single : A 2 HIS : no HD1:sc= -0.923 K(o=-0.92,f=-0.2) USER MOD Single : A 3 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=-0.2) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.3) USER MOD Single : A 6 HIS : no HD1:sc= -0.526 X(o=-0.53,f=-0.19) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.28) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0508 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.067 X(o=-0.067,f=-0.24) USER MOD Single : A 27 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0078) USER MOD Single : A 28 THR OG1 : rot 170:sc= 0.299 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 130:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0981 USER MOD Single : A 42 ASN : amide:sc= -10.8! C(o=-11!,f=-18!) USER MOD Single : A 43 THR OG1 : rot 170:sc= 1.06 USER MOD Single : A 46 THR OG1 : rot -177:sc= -1.81 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot -14:sc= 0.0688 USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0.986 (180deg=0.687) USER MOD Single : A 64 ASN : amide:sc= -2.41! K(o=-2.4!,f=-0.21) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.627 5.765 -25.398 1.00 22.31 N ATOM 2 CA MET A 1 8.862 6.002 -23.978 1.00 62.32 C ATOM 3 C MET A 1 7.583 6.459 -23.284 1.00 42.24 C ATOM 4 O MET A 1 7.558 7.504 -22.633 1.00 51.35 O ATOM 5 CB MET A 1 9.961 7.049 -23.789 1.00 64.22 C ATOM 6 CG MET A 1 11.202 6.785 -24.627 1.00 3.33 C ATOM 7 SD MET A 1 11.407 7.982 -25.960 1.00 62.41 S ATOM 8 CE MET A 1 12.810 7.284 -26.828 1.00 4.31 C ATOM 0 H1 MET A 1 9.060 4.861 -25.675 1.00 22.31 H new ATOM 0 H2 MET A 1 7.604 5.729 -25.579 1.00 22.31 H new ATOM 0 H3 MET A 1 9.050 6.536 -25.953 1.00 22.31 H new ATOM 0 HA MET A 1 9.183 5.063 -23.527 1.00 62.32 H new ATOM 0 HB2 MET A 1 9.563 8.031 -24.043 1.00 64.22 H new ATOM 0 HB3 MET A 1 10.243 7.082 -22.737 1.00 64.22 H new ATOM 0 HG2 MET A 1 12.082 6.809 -23.984 1.00 3.33 H new ATOM 0 HG3 MET A 1 11.143 5.782 -25.050 1.00 3.33 H new ATOM 0 HE1 MET A 1 13.059 7.914 -27.682 1.00 4.31 H new ATOM 0 HE2 MET A 1 13.665 7.231 -26.154 1.00 4.31 H new ATOM 0 HE3 MET A 1 12.560 6.282 -27.177 1.00 4.31 H new ATOM 18 N HIS A 2 6.523 5.671 -23.428 1.00 33.31 N ATOM 19 CA HIS A 2 5.240 5.995 -22.814 1.00 51.43 C ATOM 20 C HIS A 2 4.453 4.727 -22.498 1.00 15.41 C ATOM 21 O HIS A 2 4.821 3.633 -22.924 1.00 64.43 O ATOM 22 CB HIS A 2 4.423 6.900 -23.738 1.00 22.31 C ATOM 23 CG HIS A 2 4.203 6.321 -25.101 1.00 74.44 C ATOM 24 ND1 HIS A 2 4.495 7.001 -26.264 1.00 45.04 N ATOM 25 CD2 HIS A 2 3.716 5.117 -25.484 1.00 21.21 C ATOM 26 CE1 HIS A 2 4.197 6.242 -27.303 1.00 60.43 C ATOM 27 NE2 HIS A 2 3.723 5.093 -26.857 1.00 34.51 N ATOM 0 H HIS A 2 6.527 4.803 -23.964 1.00 33.31 H new ATOM 0 HA HIS A 2 5.435 6.522 -21.880 1.00 51.43 H new ATOM 0 HB2 HIS A 2 3.456 7.099 -23.276 1.00 22.31 H new ATOM 0 HB3 HIS A 2 4.932 7.859 -23.837 1.00 22.31 H new ATOM 0 HD2 HIS A 2 3.384 4.323 -24.831 1.00 21.21 H new ATOM 0 HE1 HIS A 2 4.320 6.515 -28.341 1.00 60.43 H new ATOM 0 HE2 HIS A 2 3.413 4.314 -27.438 1.00 34.51 H new ATOM 35 N HIS A 3 3.367 4.883 -21.747 1.00 74.30 N ATOM 36 CA HIS A 3 2.527 3.750 -21.373 1.00 62.13 C ATOM 37 C HIS A 3 3.361 2.644 -20.733 1.00 33.00 C ATOM 38 O HIS A 3 3.518 1.563 -21.301 1.00 61.14 O ATOM 39 CB HIS A 3 1.793 3.206 -22.599 1.00 14.20 C ATOM 40 CG HIS A 3 0.698 2.241 -22.262 1.00 11.11 C ATOM 41 ND1 HIS A 3 0.837 0.874 -22.379 1.00 1.31 N ATOM 42 CD2 HIS A 3 -0.559 2.452 -21.807 1.00 54.22 C ATOM 43 CE1 HIS A 3 -0.288 0.286 -22.012 1.00 43.45 C ATOM 44 NE2 HIS A 3 -1.151 1.222 -21.660 1.00 73.25 N ATOM 0 H HIS A 3 3.048 5.782 -21.386 1.00 74.30 H new ATOM 0 HA HIS A 3 1.794 4.097 -20.644 1.00 62.13 H new ATOM 0 HB2 HIS A 3 1.371 4.040 -23.160 1.00 14.20 H new ATOM 0 HB3 HIS A 3 2.512 2.713 -23.254 1.00 14.20 H new ATOM 0 HD2 HIS A 3 -1.012 3.410 -21.598 1.00 54.22 H new ATOM 0 HE1 HIS A 3 -0.471 -0.778 -22.002 1.00 43.45 H new ATOM 0 HE2 HIS A 3 -2.103 1.058 -21.332 1.00 73.25 H new ATOM 52 N HIS A 4 3.893 2.922 -19.547 1.00 44.12 N ATOM 53 CA HIS A 4 4.711 1.951 -18.830 1.00 22.53 C ATOM 54 C HIS A 4 3.866 1.156 -17.838 1.00 64.25 C ATOM 55 O HIS A 4 4.106 -0.031 -17.615 1.00 22.24 O ATOM 56 CB HIS A 4 5.852 2.656 -18.095 1.00 74.11 C ATOM 57 CG HIS A 4 6.952 3.117 -19.000 1.00 65.10 C ATOM 58 ND1 HIS A 4 7.907 2.267 -19.517 1.00 62.12 N ATOM 59 CD2 HIS A 4 7.246 4.348 -19.481 1.00 22.50 C ATOM 60 CE1 HIS A 4 8.742 2.955 -20.276 1.00 13.13 C ATOM 61 NE2 HIS A 4 8.362 4.220 -20.271 1.00 3.32 N ATOM 0 H HIS A 4 3.772 3.811 -19.063 1.00 44.12 H new ATOM 0 HA HIS A 4 5.132 1.259 -19.559 1.00 22.53 H new ATOM 0 HB2 HIS A 4 5.451 3.515 -17.557 1.00 74.11 H new ATOM 0 HB3 HIS A 4 6.266 1.978 -17.349 1.00 74.11 H new ATOM 0 HD2 HIS A 4 6.704 5.260 -19.281 1.00 22.50 H new ATOM 0 HE1 HIS A 4 9.590 2.552 -20.809 1.00 13.13 H new ATOM 0 HE2 HIS A 4 8.823 4.979 -20.773 1.00 3.32 H new ATOM 69 N HIS A 5 2.877 1.818 -17.247 1.00 5.13 N ATOM 70 CA HIS A 5 1.997 1.173 -16.279 1.00 1.21 C ATOM 71 C HIS A 5 0.627 1.844 -16.260 1.00 33.50 C ATOM 72 O HIS A 5 0.398 2.832 -16.959 1.00 32.54 O ATOM 73 CB HIS A 5 2.619 1.218 -14.883 1.00 0.11 C ATOM 74 CG HIS A 5 3.846 0.371 -14.746 1.00 63.43 C ATOM 75 ND1 HIS A 5 5.111 0.821 -15.061 1.00 71.04 N ATOM 76 CD2 HIS A 5 3.998 -0.906 -14.324 1.00 32.51 C ATOM 77 CE1 HIS A 5 5.987 -0.143 -14.840 1.00 51.24 C ATOM 78 NE2 HIS A 5 5.337 -1.202 -14.392 1.00 1.30 N ATOM 0 H HIS A 5 2.665 2.800 -17.421 1.00 5.13 H new ATOM 0 HA HIS A 5 1.869 0.133 -16.578 1.00 1.21 H new ATOM 0 HB2 HIS A 5 2.871 2.250 -14.640 1.00 0.11 H new ATOM 0 HB3 HIS A 5 1.878 0.890 -14.154 1.00 0.11 H new ATOM 0 HD2 HIS A 5 3.212 -1.569 -13.995 1.00 32.51 H new ATOM 0 HE1 HIS A 5 7.053 -0.076 -14.999 1.00 51.24 H new ATOM 0 HE2 HIS A 5 5.761 -2.094 -14.138 1.00 1.30 H new ATOM 86 N HIS A 6 -0.282 1.299 -15.457 1.00 0.43 N ATOM 87 CA HIS A 6 -1.630 1.845 -15.347 1.00 73.02 C ATOM 88 C HIS A 6 -1.816 2.571 -14.018 1.00 75.40 C ATOM 89 O HIS A 6 -2.728 2.259 -13.251 1.00 70.40 O ATOM 90 CB HIS A 6 -2.667 0.729 -15.482 1.00 51.42 C ATOM 91 CG HIS A 6 -2.409 -0.440 -14.583 1.00 64.54 C ATOM 92 ND1 HIS A 6 -1.739 -1.573 -14.996 1.00 4.10 N ATOM 93 CD2 HIS A 6 -2.733 -0.649 -13.286 1.00 1.21 C ATOM 94 CE1 HIS A 6 -1.664 -2.428 -13.992 1.00 5.23 C ATOM 95 NE2 HIS A 6 -2.259 -1.891 -12.942 1.00 40.10 N ATOM 0 H HIS A 6 -0.109 0.480 -14.873 1.00 0.43 H new ATOM 0 HA HIS A 6 -1.772 2.563 -16.155 1.00 73.02 H new ATOM 0 HB2 HIS A 6 -3.655 1.134 -15.263 1.00 51.42 H new ATOM 0 HB3 HIS A 6 -2.685 0.385 -16.516 1.00 51.42 H new ATOM 0 HD2 HIS A 6 -3.266 0.034 -12.641 1.00 1.21 H new ATOM 0 HE1 HIS A 6 -1.196 -3.401 -14.024 1.00 5.23 H new ATOM 0 HE2 HIS A 6 -2.351 -2.328 -12.025 1.00 40.10 H new ATOM 103 N HIS A 7 -0.946 3.540 -13.751 1.00 74.52 N ATOM 104 CA HIS A 7 -1.015 4.309 -12.514 1.00 51.43 C ATOM 105 C HIS A 7 -2.363 5.013 -12.387 1.00 4.53 C ATOM 106 O HIS A 7 -2.894 5.161 -11.287 1.00 32.43 O ATOM 107 CB HIS A 7 0.117 5.336 -12.464 1.00 53.23 C ATOM 108 CG HIS A 7 1.195 4.991 -11.484 1.00 43.50 C ATOM 109 ND1 HIS A 7 1.373 5.663 -10.293 1.00 52.51 N ATOM 110 CD2 HIS A 7 2.155 4.038 -11.523 1.00 31.43 C ATOM 111 CE1 HIS A 7 2.396 5.139 -9.642 1.00 51.04 C ATOM 112 NE2 HIS A 7 2.888 4.150 -10.367 1.00 12.21 N ATOM 0 H HIS A 7 -0.186 3.811 -14.374 1.00 74.52 H new ATOM 0 HA HIS A 7 -0.906 3.618 -11.678 1.00 51.43 H new ATOM 0 HB2 HIS A 7 0.556 5.429 -13.457 1.00 53.23 H new ATOM 0 HB3 HIS A 7 -0.298 6.310 -12.207 1.00 53.23 H new ATOM 0 HD2 HIS A 7 2.315 3.322 -12.316 1.00 31.43 H new ATOM 0 HE1 HIS A 7 2.767 5.464 -8.681 1.00 51.04 H new ATOM 0 HE2 HIS A 7 3.683 3.565 -10.110 1.00 12.21 H new ATOM 120 N GLU A 8 -2.908 5.447 -13.519 1.00 32.31 N ATOM 121 CA GLU A 8 -4.193 6.137 -13.532 1.00 23.30 C ATOM 122 C GLU A 8 -4.194 7.304 -12.549 1.00 24.33 C ATOM 123 O GLU A 8 -5.197 7.572 -11.888 1.00 2.53 O ATOM 124 CB GLU A 8 -5.323 5.164 -13.187 1.00 43.23 C ATOM 125 CG GLU A 8 -6.668 5.563 -13.770 1.00 40.12 C ATOM 126 CD GLU A 8 -7.805 4.700 -13.258 1.00 64.45 C ATOM 127 OE1 GLU A 8 -7.692 3.459 -13.346 1.00 60.21 O ATOM 128 OE2 GLU A 8 -8.806 5.264 -12.771 1.00 31.20 O ATOM 0 H GLU A 8 -2.480 5.333 -14.438 1.00 32.31 H new ATOM 0 HA GLU A 8 -4.355 6.530 -14.536 1.00 23.30 H new ATOM 0 HB2 GLU A 8 -5.059 4.171 -13.550 1.00 43.23 H new ATOM 0 HB3 GLU A 8 -5.413 5.094 -12.103 1.00 43.23 H new ATOM 0 HG2 GLU A 8 -6.870 6.606 -13.526 1.00 40.12 H new ATOM 0 HG3 GLU A 8 -6.624 5.492 -14.857 1.00 40.12 H new ATOM 135 N VAL A 9 -3.061 7.994 -12.457 1.00 71.42 N ATOM 136 CA VAL A 9 -2.930 9.132 -11.556 1.00 31.03 C ATOM 137 C VAL A 9 -3.070 8.699 -10.100 1.00 41.55 C ATOM 138 O VAL A 9 -4.026 8.026 -9.716 1.00 71.22 O ATOM 139 CB VAL A 9 -3.983 10.214 -11.862 1.00 4.15 C ATOM 140 CG1 VAL A 9 -3.938 11.315 -10.812 1.00 63.53 C ATOM 141 CG2 VAL A 9 -3.769 10.786 -13.255 1.00 30.30 C ATOM 0 H VAL A 9 -2.221 7.784 -12.996 1.00 71.42 H new ATOM 0 HA VAL A 9 -1.935 9.549 -11.714 1.00 31.03 H new ATOM 0 HB VAL A 9 -4.971 9.755 -11.830 1.00 4.15 H new ATOM 0 HG11 VAL A 9 -4.689 12.070 -11.045 1.00 63.53 H new ATOM 0 HG12 VAL A 9 -4.143 10.890 -9.830 1.00 63.53 H new ATOM 0 HG13 VAL A 9 -2.950 11.775 -10.809 1.00 63.53 H new ATOM 0 HG21 VAL A 9 -4.522 11.549 -13.455 1.00 30.30 H new ATOM 0 HG22 VAL A 9 -2.776 11.231 -13.317 1.00 30.30 H new ATOM 0 HG23 VAL A 9 -3.856 9.989 -13.993 1.00 30.30 H new ATOM 151 N PRO A 10 -2.094 9.095 -9.269 1.00 54.33 N ATOM 152 CA PRO A 10 -2.086 8.761 -7.842 1.00 73.21 C ATOM 153 C PRO A 10 -3.177 9.494 -7.069 1.00 1.03 C ATOM 154 O PRO A 10 -2.889 10.370 -6.253 1.00 75.24 O ATOM 155 CB PRO A 10 -0.701 9.219 -7.378 1.00 55.32 C ATOM 156 CG PRO A 10 -0.315 10.289 -8.340 1.00 65.13 C ATOM 157 CD PRO A 10 -0.924 9.900 -9.659 1.00 14.33 C ATOM 0 HA PRO A 10 -2.279 7.702 -7.670 1.00 73.21 H new ATOM 0 HB2 PRO A 10 -0.731 9.597 -6.356 1.00 55.32 H new ATOM 0 HB3 PRO A 10 0.014 8.396 -7.393 1.00 55.32 H new ATOM 0 HG2 PRO A 10 -0.684 11.261 -8.011 1.00 65.13 H new ATOM 0 HG3 PRO A 10 0.769 10.370 -8.419 1.00 65.13 H new ATOM 0 HD2 PRO A 10 -1.214 10.775 -10.242 1.00 14.33 H new ATOM 0 HD3 PRO A 10 -0.227 9.327 -10.270 1.00 14.33 H new ATOM 165 N GLN A 11 -4.428 9.130 -7.330 1.00 71.30 N ATOM 166 CA GLN A 11 -5.561 9.754 -6.658 1.00 13.13 C ATOM 167 C GLN A 11 -5.428 11.273 -6.663 1.00 3.31 C ATOM 168 O GLN A 11 -5.058 11.879 -5.656 1.00 63.23 O ATOM 169 CB GLN A 11 -5.672 9.245 -5.219 1.00 62.15 C ATOM 170 CG GLN A 11 -5.973 7.758 -5.122 1.00 12.11 C ATOM 171 CD GLN A 11 -7.036 7.312 -6.107 1.00 45.12 C ATOM 172 OE1 GLN A 11 -8.230 7.358 -5.813 1.00 13.33 O ATOM 173 NE2 GLN A 11 -6.605 6.877 -7.286 1.00 31.15 N ATOM 0 H GLN A 11 -4.683 8.406 -8.002 1.00 71.30 H new ATOM 0 HA GLN A 11 -6.466 9.485 -7.202 1.00 13.13 H new ATOM 0 HB2 GLN A 11 -4.739 9.453 -4.696 1.00 62.15 H new ATOM 0 HB3 GLN A 11 -6.457 9.800 -4.705 1.00 62.15 H new ATOM 0 HG2 GLN A 11 -5.058 7.194 -5.301 1.00 12.11 H new ATOM 0 HG3 GLN A 11 -6.300 7.523 -4.109 1.00 12.11 H new ATOM 0 HE21 GLN A 11 -5.605 6.856 -7.487 1.00 31.15 H new ATOM 0 HE22 GLN A 11 -7.274 6.564 -7.990 1.00 31.15 H new ATOM 182 N THR A 12 -5.731 11.885 -7.804 1.00 0.45 N ATOM 183 CA THR A 12 -5.643 13.334 -7.941 1.00 34.35 C ATOM 184 C THR A 12 -6.591 13.842 -9.021 1.00 41.01 C ATOM 185 O THR A 12 -7.196 14.905 -8.880 1.00 70.13 O ATOM 186 CB THR A 12 -4.209 13.780 -8.280 1.00 42.12 C ATOM 187 OG1 THR A 12 -3.308 13.361 -7.249 1.00 31.21 O ATOM 188 CG2 THR A 12 -4.136 15.291 -8.441 1.00 1.02 C ATOM 0 H THR A 12 -6.039 11.400 -8.646 1.00 0.45 H new ATOM 0 HA THR A 12 -5.930 13.761 -6.980 1.00 34.35 H new ATOM 0 HB THR A 12 -3.922 13.315 -9.223 1.00 42.12 H new ATOM 0 HG1 THR A 12 -2.398 13.647 -7.474 1.00 31.21 H new ATOM 0 HG21 THR A 12 -3.113 15.582 -8.680 1.00 1.02 H new ATOM 0 HG22 THR A 12 -4.800 15.604 -9.247 1.00 1.02 H new ATOM 0 HG23 THR A 12 -4.442 15.771 -7.512 1.00 1.02 H new ATOM 196 N PHE A 13 -6.716 13.076 -10.100 1.00 10.11 N ATOM 197 CA PHE A 13 -7.591 13.450 -11.205 1.00 64.34 C ATOM 198 C PHE A 13 -7.104 14.731 -11.875 1.00 4.40 C ATOM 199 O PHE A 13 -7.230 15.821 -11.318 1.00 1.13 O ATOM 200 CB PHE A 13 -9.026 13.634 -10.708 1.00 42.22 C ATOM 201 CG PHE A 13 -10.036 12.841 -11.486 1.00 34.41 C ATOM 202 CD1 PHE A 13 -10.152 11.472 -11.303 1.00 22.04 C ATOM 203 CD2 PHE A 13 -10.871 13.463 -12.400 1.00 11.01 C ATOM 204 CE1 PHE A 13 -11.080 10.739 -12.018 1.00 13.44 C ATOM 205 CE2 PHE A 13 -11.802 12.736 -13.118 1.00 21.44 C ATOM 206 CZ PHE A 13 -11.907 11.372 -12.925 1.00 52.03 C ATOM 0 H PHE A 13 -6.223 12.193 -10.233 1.00 10.11 H new ATOM 0 HA PHE A 13 -7.570 12.646 -11.940 1.00 64.34 H new ATOM 0 HB2 PHE A 13 -9.079 13.344 -9.659 1.00 42.22 H new ATOM 0 HB3 PHE A 13 -9.287 14.691 -10.760 1.00 42.22 H new ATOM 0 HD1 PHE A 13 -9.510 10.972 -10.593 1.00 22.04 H new ATOM 0 HD2 PHE A 13 -10.794 14.529 -12.553 1.00 11.01 H new ATOM 0 HE1 PHE A 13 -11.158 9.672 -11.868 1.00 13.44 H new ATOM 0 HE2 PHE A 13 -12.446 13.233 -13.828 1.00 21.44 H new ATOM 0 HZ PHE A 13 -12.635 10.801 -13.483 1.00 52.03 H new ATOM 216 N GLU A 14 -6.546 14.591 -13.074 1.00 32.23 N ATOM 217 CA GLU A 14 -6.039 15.737 -13.819 1.00 2.14 C ATOM 218 C GLU A 14 -7.134 16.348 -14.688 1.00 45.54 C ATOM 219 O GLU A 14 -7.368 15.906 -15.813 1.00 40.11 O ATOM 220 CB GLU A 14 -4.852 15.322 -14.690 1.00 43.23 C ATOM 221 CG GLU A 14 -3.548 15.190 -13.921 1.00 34.44 C ATOM 222 CD GLU A 14 -2.566 16.299 -14.242 1.00 64.32 C ATOM 223 OE1 GLU A 14 -2.261 16.494 -15.437 1.00 40.32 O ATOM 224 OE2 GLU A 14 -2.101 16.971 -13.298 1.00 13.42 O ATOM 0 H GLU A 14 -6.434 13.696 -13.549 1.00 32.23 H new ATOM 0 HA GLU A 14 -5.708 16.488 -13.101 1.00 2.14 H new ATOM 0 HB2 GLU A 14 -5.079 14.370 -15.169 1.00 43.23 H new ATOM 0 HB3 GLU A 14 -4.722 16.056 -15.485 1.00 43.23 H new ATOM 0 HG2 GLU A 14 -3.759 15.195 -12.852 1.00 34.44 H new ATOM 0 HG3 GLU A 14 -3.091 14.228 -14.151 1.00 34.44 H new ATOM 231 N VAL A 15 -7.802 17.368 -14.159 1.00 5.42 N ATOM 232 CA VAL A 15 -8.871 18.042 -14.886 1.00 32.43 C ATOM 233 C VAL A 15 -8.382 19.350 -15.496 1.00 62.04 C ATOM 234 O VAL A 15 -7.484 19.998 -14.961 1.00 4.24 O ATOM 235 CB VAL A 15 -10.075 18.334 -13.970 1.00 23.21 C ATOM 236 CG1 VAL A 15 -11.240 18.884 -14.778 1.00 43.32 C ATOM 237 CG2 VAL A 15 -10.485 17.079 -13.214 1.00 12.33 C ATOM 0 H VAL A 15 -7.622 17.746 -13.229 1.00 5.42 H new ATOM 0 HA VAL A 15 -9.185 17.368 -15.683 1.00 32.43 H new ATOM 0 HB VAL A 15 -9.781 19.090 -13.242 1.00 23.21 H new ATOM 0 HG11 VAL A 15 -12.081 19.084 -14.114 1.00 43.32 H new ATOM 0 HG12 VAL A 15 -10.938 19.809 -15.269 1.00 43.32 H new ATOM 0 HG13 VAL A 15 -11.538 18.154 -15.531 1.00 43.32 H new ATOM 0 HG21 VAL A 15 -11.337 17.303 -12.572 1.00 12.33 H new ATOM 0 HG22 VAL A 15 -10.761 16.300 -13.925 1.00 12.33 H new ATOM 0 HG23 VAL A 15 -9.651 16.733 -12.603 1.00 12.33 H new ATOM 247 N GLU A 16 -8.979 19.732 -16.621 1.00 35.03 N ATOM 248 CA GLU A 16 -8.603 20.964 -17.305 1.00 34.25 C ATOM 249 C GLU A 16 -9.048 22.186 -16.507 1.00 11.41 C ATOM 250 O GLU A 16 -8.221 22.952 -16.012 1.00 41.20 O ATOM 251 CB GLU A 16 -9.218 21.004 -18.705 1.00 70.22 C ATOM 252 CG GLU A 16 -8.202 20.828 -19.821 1.00 62.10 C ATOM 253 CD GLU A 16 -7.817 22.142 -20.472 1.00 51.13 C ATOM 254 OE1 GLU A 16 -7.540 23.111 -19.735 1.00 45.24 O ATOM 255 OE2 GLU A 16 -7.793 22.201 -21.720 1.00 34.24 O ATOM 0 H GLU A 16 -9.724 19.206 -17.078 1.00 35.03 H new ATOM 0 HA GLU A 16 -7.517 20.984 -17.393 1.00 34.25 H new ATOM 0 HB2 GLU A 16 -9.972 20.220 -18.784 1.00 70.22 H new ATOM 0 HB3 GLU A 16 -9.732 21.956 -18.840 1.00 70.22 H new ATOM 0 HG2 GLU A 16 -7.308 20.349 -19.421 1.00 62.10 H new ATOM 0 HG3 GLU A 16 -8.611 20.158 -20.577 1.00 62.10 H new ATOM 262 N ARG A 17 -10.360 22.362 -16.387 1.00 41.43 N ATOM 263 CA ARG A 17 -10.915 23.492 -15.652 1.00 13.20 C ATOM 264 C ARG A 17 -12.432 23.371 -15.533 1.00 43.14 C ATOM 265 O ARG A 17 -13.052 22.545 -16.203 1.00 54.12 O ATOM 266 CB ARG A 17 -10.550 24.807 -16.343 1.00 54.14 C ATOM 267 CG ARG A 17 -11.609 25.297 -17.318 1.00 63.44 C ATOM 268 CD ARG A 17 -11.818 24.309 -18.456 1.00 2.12 C ATOM 269 NE ARG A 17 -10.772 24.414 -19.470 1.00 74.53 N ATOM 270 CZ ARG A 17 -10.773 25.327 -20.435 1.00 20.12 C ATOM 271 NH1 ARG A 17 -11.758 26.210 -20.515 1.00 52.50 N ATOM 272 NH2 ARG A 17 -9.786 25.358 -21.321 1.00 51.13 N ATOM 0 H ARG A 17 -11.058 21.737 -16.789 1.00 41.43 H new ATOM 0 HA ARG A 17 -10.487 23.486 -14.649 1.00 13.20 H new ATOM 0 HB2 ARG A 17 -10.384 25.572 -15.585 1.00 54.14 H new ATOM 0 HB3 ARG A 17 -9.608 24.678 -16.877 1.00 54.14 H new ATOM 0 HG2 ARG A 17 -12.550 25.449 -16.789 1.00 63.44 H new ATOM 0 HG3 ARG A 17 -11.312 26.264 -17.724 1.00 63.44 H new ATOM 0 HD2 ARG A 17 -11.836 23.295 -18.057 1.00 2.12 H new ATOM 0 HD3 ARG A 17 -12.789 24.487 -18.917 1.00 2.12 H new ATOM 0 HE ARG A 17 -9.998 23.750 -19.435 1.00 74.53 H new ATOM 0 HH11 ARG A 17 -12.518 26.190 -19.835 1.00 52.50 H new ATOM 0 HH12 ARG A 17 -11.756 26.910 -21.257 1.00 52.50 H new ATOM 0 HH21 ARG A 17 -9.026 24.681 -21.262 1.00 51.13 H new ATOM 0 HH22 ARG A 17 -9.787 26.059 -22.062 1.00 51.13 H new ATOM 286 N ILE A 18 -13.021 24.199 -14.677 1.00 61.03 N ATOM 287 CA ILE A 18 -14.464 24.185 -14.472 1.00 21.32 C ATOM 288 C ILE A 18 -15.197 24.751 -15.683 1.00 73.30 C ATOM 289 O ILE A 18 -15.092 25.939 -15.987 1.00 0.13 O ATOM 290 CB ILE A 18 -14.863 24.991 -13.222 1.00 25.15 C ATOM 291 CG1 ILE A 18 -14.076 24.505 -12.002 1.00 61.04 C ATOM 292 CG2 ILE A 18 -16.359 24.877 -12.973 1.00 11.02 C ATOM 293 CD1 ILE A 18 -14.654 23.260 -11.367 1.00 71.23 C ATOM 0 H ILE A 18 -12.521 24.888 -14.114 1.00 61.03 H new ATOM 0 HA ILE A 18 -14.752 23.143 -14.330 1.00 21.32 H new ATOM 0 HB ILE A 18 -14.622 26.040 -13.393 1.00 25.15 H new ATOM 0 HG12 ILE A 18 -13.046 24.307 -12.299 1.00 61.04 H new ATOM 0 HG13 ILE A 18 -14.045 25.302 -11.259 1.00 61.04 H new ATOM 0 HG21 ILE A 18 -16.625 25.452 -12.086 1.00 11.02 H new ATOM 0 HG22 ILE A 18 -16.902 25.266 -13.834 1.00 11.02 H new ATOM 0 HG23 ILE A 18 -16.624 23.831 -12.820 1.00 11.02 H new ATOM 0 HD11 ILE A 18 -14.046 22.973 -10.509 1.00 71.23 H new ATOM 0 HD12 ILE A 18 -15.674 23.459 -11.038 1.00 71.23 H new ATOM 0 HD13 ILE A 18 -14.659 22.449 -12.095 1.00 71.23 H new ATOM 305 N VAL A 19 -15.943 23.892 -16.371 1.00 64.24 N ATOM 306 CA VAL A 19 -16.697 24.306 -17.548 1.00 42.23 C ATOM 307 C VAL A 19 -17.706 25.394 -17.199 1.00 74.22 C ATOM 308 O VAL A 19 -17.697 26.476 -17.787 1.00 70.50 O ATOM 309 CB VAL A 19 -17.440 23.117 -18.186 1.00 44.33 C ATOM 310 CG1 VAL A 19 -18.009 23.508 -19.542 1.00 0.25 C ATOM 311 CG2 VAL A 19 -16.513 21.917 -18.314 1.00 52.41 C ATOM 0 H VAL A 19 -16.041 22.905 -16.133 1.00 64.24 H new ATOM 0 HA VAL A 19 -15.975 24.700 -18.264 1.00 42.23 H new ATOM 0 HB VAL A 19 -18.270 22.839 -17.537 1.00 44.33 H new ATOM 0 HG11 VAL A 19 -18.530 22.655 -19.977 1.00 0.25 H new ATOM 0 HG12 VAL A 19 -18.707 24.336 -19.419 1.00 0.25 H new ATOM 0 HG13 VAL A 19 -17.198 23.813 -20.203 1.00 0.25 H new ATOM 0 HG21 VAL A 19 -17.054 21.086 -18.767 1.00 52.41 H new ATOM 0 HG22 VAL A 19 -15.661 22.180 -18.941 1.00 52.41 H new ATOM 0 HG23 VAL A 19 -16.159 21.624 -17.326 1.00 52.41 H new ATOM 321 N ARG A 20 -18.576 25.100 -16.238 1.00 71.33 N ATOM 322 CA ARG A 20 -19.593 26.053 -15.811 1.00 34.52 C ATOM 323 C ARG A 20 -20.138 25.685 -14.434 1.00 31.14 C ATOM 324 O ARG A 20 -19.613 24.796 -13.763 1.00 71.42 O ATOM 325 CB ARG A 20 -20.736 26.101 -16.827 1.00 12.13 C ATOM 326 CG ARG A 20 -21.457 24.774 -16.997 1.00 24.31 C ATOM 327 CD ARG A 20 -21.031 24.069 -18.276 1.00 15.13 C ATOM 328 NE ARG A 20 -22.087 24.083 -19.285 1.00 43.22 N ATOM 329 CZ ARG A 20 -22.211 23.159 -20.231 1.00 52.12 C ATOM 330 NH1 ARG A 20 -21.351 22.152 -20.296 1.00 40.34 N ATOM 331 NH2 ARG A 20 -23.198 23.241 -21.114 1.00 72.43 N ATOM 0 H ARG A 20 -18.597 24.210 -15.741 1.00 71.33 H new ATOM 0 HA ARG A 20 -19.130 27.038 -15.749 1.00 34.52 H new ATOM 0 HB2 ARG A 20 -21.456 26.858 -16.516 1.00 12.13 H new ATOM 0 HB3 ARG A 20 -20.340 26.416 -17.792 1.00 12.13 H new ATOM 0 HG2 ARG A 20 -21.249 24.133 -16.140 1.00 24.31 H new ATOM 0 HG3 ARG A 20 -22.534 24.943 -17.015 1.00 24.31 H new ATOM 0 HD2 ARG A 20 -20.140 24.552 -18.677 1.00 15.13 H new ATOM 0 HD3 ARG A 20 -20.760 23.038 -18.049 1.00 15.13 H new ATOM 0 HE ARG A 20 -22.766 24.844 -19.262 1.00 43.22 H new ATOM 0 HH11 ARG A 20 -20.592 22.085 -19.618 1.00 40.34 H new ATOM 0 HH12 ARG A 20 -21.449 21.444 -21.024 1.00 40.34 H new ATOM 0 HH21 ARG A 20 -23.862 24.014 -21.066 1.00 72.43 H new ATOM 0 HH22 ARG A 20 -23.293 22.531 -21.840 1.00 72.43 H new ATOM 345 N LYS A 21 -21.194 26.375 -14.017 1.00 51.52 N ATOM 346 CA LYS A 21 -21.812 26.122 -12.721 1.00 4.52 C ATOM 347 C LYS A 21 -23.276 26.549 -12.723 1.00 50.11 C ATOM 348 O LYS A 21 -23.687 27.392 -13.521 1.00 3.32 O ATOM 349 CB LYS A 21 -21.054 26.866 -11.618 1.00 54.33 C ATOM 350 CG LYS A 21 -21.254 28.372 -11.652 1.00 70.45 C ATOM 351 CD LYS A 21 -20.829 29.020 -10.346 1.00 15.33 C ATOM 352 CE LYS A 21 -21.806 30.105 -9.919 1.00 13.13 C ATOM 353 NZ LYS A 21 -21.164 31.110 -9.027 1.00 51.21 N ATOM 0 H LYS A 21 -21.640 27.115 -14.559 1.00 51.52 H new ATOM 0 HA LYS A 21 -21.765 25.050 -12.527 1.00 4.52 H new ATOM 0 HB2 LYS A 21 -21.376 26.487 -10.648 1.00 54.33 H new ATOM 0 HB3 LYS A 21 -19.990 26.647 -11.709 1.00 54.33 H new ATOM 0 HG2 LYS A 21 -20.679 28.798 -12.474 1.00 70.45 H new ATOM 0 HG3 LYS A 21 -22.303 28.596 -11.846 1.00 70.45 H new ATOM 0 HD2 LYS A 21 -20.763 28.261 -9.566 1.00 15.33 H new ATOM 0 HD3 LYS A 21 -19.833 29.449 -10.458 1.00 15.33 H new ATOM 0 HE2 LYS A 21 -22.203 30.605 -10.803 1.00 13.13 H new ATOM 0 HE3 LYS A 21 -22.652 29.650 -9.404 1.00 13.13 H new ATOM 0 HZ1 LYS A 21 -21.490 32.063 -9.287 1.00 51.21 H new ATOM 0 HZ2 LYS A 21 -21.423 30.913 -8.039 1.00 51.21 H new ATOM 0 HZ3 LYS A 21 -20.131 31.057 -9.131 1.00 51.21 H new ATOM 367 N LYS A 22 -24.060 25.963 -11.825 1.00 22.33 N ATOM 368 CA LYS A 22 -25.478 26.284 -11.720 1.00 74.55 C ATOM 369 C LYS A 22 -26.095 25.631 -10.487 1.00 63.34 C ATOM 370 O LYS A 22 -25.720 24.521 -10.109 1.00 22.43 O ATOM 371 CB LYS A 22 -26.220 25.824 -12.978 1.00 42.51 C ATOM 372 CG LYS A 22 -26.427 24.321 -13.047 1.00 53.43 C ATOM 373 CD LYS A 22 -27.884 23.949 -12.826 1.00 24.23 C ATOM 374 CE LYS A 22 -28.548 23.505 -14.120 1.00 35.24 C ATOM 375 NZ LYS A 22 -30.024 23.704 -14.082 1.00 43.41 N ATOM 0 H LYS A 22 -23.737 25.262 -11.158 1.00 22.33 H new ATOM 0 HA LYS A 22 -25.574 27.365 -11.623 1.00 74.55 H new ATOM 0 HB2 LYS A 22 -27.191 26.318 -13.018 1.00 42.51 H new ATOM 0 HB3 LYS A 22 -25.662 26.146 -13.857 1.00 42.51 H new ATOM 0 HG2 LYS A 22 -26.099 23.952 -14.019 1.00 53.43 H new ATOM 0 HG3 LYS A 22 -25.807 23.832 -12.295 1.00 53.43 H new ATOM 0 HD2 LYS A 22 -27.948 23.148 -12.089 1.00 24.23 H new ATOM 0 HD3 LYS A 22 -28.421 24.804 -12.415 1.00 24.23 H new ATOM 0 HE2 LYS A 22 -28.127 24.065 -14.955 1.00 35.24 H new ATOM 0 HE3 LYS A 22 -28.328 22.453 -14.299 1.00 35.24 H new ATOM 0 HZ1 LYS A 22 -30.440 23.390 -14.982 1.00 43.41 H new ATOM 0 HZ2 LYS A 22 -30.429 23.150 -13.301 1.00 43.41 H new ATOM 0 HZ3 LYS A 22 -30.235 24.712 -13.937 1.00 43.41 H new ATOM 389 N ILE A 23 -27.042 26.326 -9.867 1.00 20.43 N ATOM 390 CA ILE A 23 -27.711 25.811 -8.678 1.00 54.44 C ATOM 391 C ILE A 23 -29.162 25.449 -8.978 1.00 11.51 C ATOM 392 O ILE A 23 -29.796 26.048 -9.847 1.00 61.13 O ATOM 393 CB ILE A 23 -27.676 26.833 -7.526 1.00 73.22 C ATOM 394 CG1 ILE A 23 -28.797 27.861 -7.693 1.00 31.13 C ATOM 395 CG2 ILE A 23 -26.321 27.522 -7.471 1.00 13.51 C ATOM 396 CD1 ILE A 23 -30.058 27.508 -6.935 1.00 51.22 C ATOM 0 H ILE A 23 -27.363 27.246 -10.167 1.00 20.43 H new ATOM 0 HA ILE A 23 -27.171 24.915 -8.374 1.00 54.44 H new ATOM 0 HB ILE A 23 -27.831 26.304 -6.585 1.00 73.22 H new ATOM 0 HG12 ILE A 23 -28.440 28.834 -7.355 1.00 31.13 H new ATOM 0 HG13 ILE A 23 -29.035 27.959 -8.752 1.00 31.13 H new ATOM 0 HG21 ILE A 23 -26.312 28.241 -6.652 1.00 13.51 H new ATOM 0 HG22 ILE A 23 -25.541 26.778 -7.310 1.00 13.51 H new ATOM 0 HG23 ILE A 23 -26.138 28.041 -8.412 1.00 13.51 H new ATOM 0 HD11 ILE A 23 -30.809 28.280 -7.099 1.00 51.22 H new ATOM 0 HD12 ILE A 23 -30.439 26.550 -7.289 1.00 51.22 H new ATOM 0 HD13 ILE A 23 -29.835 27.439 -5.870 1.00 51.22 H new ATOM 408 N VAL A 24 -29.683 24.467 -8.251 1.00 34.45 N ATOM 409 CA VAL A 24 -31.061 24.026 -8.436 1.00 1.23 C ATOM 410 C VAL A 24 -31.751 23.801 -7.095 1.00 40.21 C ATOM 411 O VAL A 24 -31.281 23.021 -6.266 1.00 11.53 O ATOM 412 CB VAL A 24 -31.129 22.727 -9.260 1.00 23.20 C ATOM 413 CG1 VAL A 24 -32.331 22.747 -10.191 1.00 73.01 C ATOM 414 CG2 VAL A 24 -29.841 22.526 -10.044 1.00 24.33 C ATOM 0 H VAL A 24 -29.172 23.961 -7.528 1.00 34.45 H new ATOM 0 HA VAL A 24 -31.577 24.819 -8.978 1.00 1.23 H new ATOM 0 HB VAL A 24 -31.245 21.888 -8.574 1.00 23.20 H new ATOM 0 HG11 VAL A 24 -32.362 21.821 -10.765 1.00 73.01 H new ATOM 0 HG12 VAL A 24 -33.245 22.841 -9.604 1.00 73.01 H new ATOM 0 HG13 VAL A 24 -32.249 23.594 -10.873 1.00 73.01 H new ATOM 0 HG21 VAL A 24 -29.906 21.603 -10.621 1.00 24.33 H new ATOM 0 HG22 VAL A 24 -29.692 23.367 -10.721 1.00 24.33 H new ATOM 0 HG23 VAL A 24 -29.000 22.463 -9.353 1.00 24.33 H new ATOM 424 N HIS A 25 -32.870 24.489 -6.889 1.00 5.24 N ATOM 425 CA HIS A 25 -33.626 24.364 -5.648 1.00 32.31 C ATOM 426 C HIS A 25 -32.746 24.673 -4.441 1.00 24.21 C ATOM 427 O HIS A 25 -33.005 24.203 -3.334 1.00 72.10 O ATOM 428 CB HIS A 25 -34.209 22.956 -5.521 1.00 71.15 C ATOM 429 CG HIS A 25 -35.578 22.927 -4.915 1.00 32.22 C ATOM 430 ND1 HIS A 25 -36.611 23.731 -5.348 1.00 42.34 N ATOM 431 CD2 HIS A 25 -36.082 22.183 -3.903 1.00 35.41 C ATOM 432 CE1 HIS A 25 -37.690 23.484 -4.628 1.00 55.34 C ATOM 433 NE2 HIS A 25 -37.397 22.548 -3.744 1.00 63.04 N ATOM 0 H HIS A 25 -33.273 25.138 -7.565 1.00 5.24 H new ATOM 0 HA HIS A 25 -34.442 25.087 -5.675 1.00 32.31 H new ATOM 0 HB2 HIS A 25 -34.248 22.497 -6.509 1.00 71.15 H new ATOM 0 HB3 HIS A 25 -33.539 22.348 -4.914 1.00 71.15 H new ATOM 0 HD2 HIS A 25 -35.549 21.440 -3.327 1.00 35.41 H new ATOM 0 HE1 HIS A 25 -38.650 23.966 -4.743 1.00 55.34 H new ATOM 0 HE2 HIS A 25 -38.042 22.159 -3.056 1.00 63.04 H new ATOM 441 N GLY A 26 -31.702 25.466 -4.663 1.00 40.22 N ATOM 442 CA GLY A 26 -30.799 25.823 -3.585 1.00 3.40 C ATOM 443 C GLY A 26 -29.596 24.904 -3.508 1.00 43.51 C ATOM 444 O GLY A 26 -28.822 24.962 -2.553 1.00 54.10 O ATOM 0 H GLY A 26 -31.466 25.867 -5.570 1.00 40.22 H new ATOM 0 HA2 GLY A 26 -30.460 26.849 -3.724 1.00 3.40 H new ATOM 0 HA3 GLY A 26 -31.338 25.791 -2.638 1.00 3.40 H new ATOM 448 N ASN A 27 -29.438 24.053 -4.516 1.00 71.23 N ATOM 449 CA ASN A 27 -28.321 23.116 -4.558 1.00 35.44 C ATOM 450 C ASN A 27 -27.330 23.498 -5.653 1.00 13.35 C ATOM 451 O ASN A 27 -27.594 23.306 -6.840 1.00 31.10 O ATOM 452 CB ASN A 27 -28.832 21.692 -4.791 1.00 3.12 C ATOM 453 CG ASN A 27 -29.812 21.247 -3.723 1.00 11.12 C ATOM 454 OD1 ASN A 27 -29.420 20.688 -2.699 1.00 22.42 O ATOM 455 ND2 ASN A 27 -31.095 21.494 -3.958 1.00 14.40 N ATOM 0 H ASN A 27 -30.069 23.993 -5.315 1.00 71.23 H new ATOM 0 HA ASN A 27 -27.807 23.159 -3.598 1.00 35.44 H new ATOM 0 HB2 ASN A 27 -29.313 21.637 -5.767 1.00 3.12 H new ATOM 0 HB3 ASN A 27 -27.986 21.005 -4.813 1.00 3.12 H new ATOM 0 HD21 ASN A 27 -31.801 21.218 -3.276 1.00 14.40 H new ATOM 0 HD22 ASN A 27 -31.375 21.960 -4.821 1.00 14.40 H new ATOM 462 N THR A 28 -26.187 24.041 -5.245 1.00 52.21 N ATOM 463 CA THR A 28 -25.156 24.452 -6.190 1.00 74.42 C ATOM 464 C THR A 28 -24.529 23.244 -6.878 1.00 0.41 C ATOM 465 O THR A 28 -24.352 22.191 -6.265 1.00 54.44 O ATOM 466 CB THR A 28 -24.049 25.265 -5.495 1.00 4.21 C ATOM 467 OG1 THR A 28 -24.613 26.073 -4.456 1.00 41.42 O ATOM 468 CG2 THR A 28 -23.320 26.151 -6.494 1.00 64.11 C ATOM 0 H THR A 28 -25.952 24.206 -4.266 1.00 52.21 H new ATOM 0 HA THR A 28 -25.643 25.080 -6.936 1.00 74.42 H new ATOM 0 HB THR A 28 -23.333 24.566 -5.063 1.00 4.21 H new ATOM 0 HG1 THR A 28 -23.893 26.463 -3.918 1.00 41.42 H new ATOM 0 HG21 THR A 28 -22.542 26.716 -5.980 1.00 64.11 H new ATOM 0 HG22 THR A 28 -22.867 25.531 -7.267 1.00 64.11 H new ATOM 0 HG23 THR A 28 -24.028 26.842 -6.952 1.00 64.11 H new ATOM 476 N SER A 29 -24.193 23.404 -8.154 1.00 53.40 N ATOM 477 CA SER A 29 -23.588 22.326 -8.926 1.00 62.32 C ATOM 478 C SER A 29 -22.514 22.867 -9.866 1.00 35.41 C ATOM 479 O SER A 29 -22.768 23.774 -10.659 1.00 24.12 O ATOM 480 CB SER A 29 -24.657 21.582 -9.729 1.00 11.21 C ATOM 481 OG SER A 29 -25.660 21.055 -8.877 1.00 43.33 O ATOM 0 H SER A 29 -24.330 24.270 -8.675 1.00 53.40 H new ATOM 0 HA SER A 29 -23.120 21.632 -8.228 1.00 62.32 H new ATOM 0 HB2 SER A 29 -25.110 22.259 -10.453 1.00 11.21 H new ATOM 0 HB3 SER A 29 -24.194 20.773 -10.295 1.00 11.21 H new ATOM 0 HG SER A 29 -26.332 20.586 -9.414 1.00 43.33 H new ATOM 487 N TYR A 30 -21.315 22.303 -9.771 1.00 35.11 N ATOM 488 CA TYR A 30 -20.202 22.729 -10.610 1.00 2.00 C ATOM 489 C TYR A 30 -19.957 21.732 -11.738 1.00 71.23 C ATOM 490 O TYR A 30 -19.745 20.543 -11.497 1.00 65.30 O ATOM 491 CB TYR A 30 -18.934 22.886 -9.769 1.00 44.44 C ATOM 492 CG TYR A 30 -18.843 24.215 -9.053 1.00 31.43 C ATOM 493 CD1 TYR A 30 -19.903 24.688 -8.289 1.00 41.45 C ATOM 494 CD2 TYR A 30 -17.697 24.995 -9.138 1.00 42.41 C ATOM 495 CE1 TYR A 30 -19.825 25.902 -7.634 1.00 24.22 C ATOM 496 CE2 TYR A 30 -17.609 26.209 -8.485 1.00 11.45 C ATOM 497 CZ TYR A 30 -18.676 26.658 -7.734 1.00 42.41 C ATOM 498 OH TYR A 30 -18.593 27.867 -7.081 1.00 74.02 O ATOM 0 H TYR A 30 -21.089 21.550 -9.121 1.00 35.11 H new ATOM 0 HA TYR A 30 -20.460 23.692 -11.051 1.00 2.00 H new ATOM 0 HB2 TYR A 30 -18.894 22.083 -9.033 1.00 44.44 H new ATOM 0 HB3 TYR A 30 -18.063 22.770 -10.414 1.00 44.44 H new ATOM 0 HD1 TYR A 30 -20.803 24.097 -8.206 1.00 41.45 H new ATOM 0 HD2 TYR A 30 -16.860 24.646 -9.725 1.00 42.41 H new ATOM 0 HE1 TYR A 30 -20.659 26.257 -7.047 1.00 24.22 H new ATOM 0 HE2 TYR A 30 -16.710 26.803 -8.562 1.00 11.45 H new ATOM 0 HH TYR A 30 -17.760 27.904 -6.566 1.00 74.02 H new ATOM 508 N LEU A 31 -19.988 22.225 -12.971 1.00 71.25 N ATOM 509 CA LEU A 31 -19.769 21.379 -14.139 1.00 70.45 C ATOM 510 C LEU A 31 -18.309 21.425 -14.580 1.00 13.24 C ATOM 511 O LEU A 31 -17.837 22.439 -15.093 1.00 42.50 O ATOM 512 CB LEU A 31 -20.675 21.820 -15.290 1.00 60.44 C ATOM 513 CG LEU A 31 -20.989 20.756 -16.343 1.00 20.21 C ATOM 514 CD1 LEU A 31 -21.202 19.401 -15.686 1.00 23.04 C ATOM 515 CD2 LEU A 31 -22.212 21.154 -17.156 1.00 13.35 C ATOM 0 H LEU A 31 -20.163 23.206 -13.188 1.00 71.25 H new ATOM 0 HA LEU A 31 -20.014 20.353 -13.864 1.00 70.45 H new ATOM 0 HB2 LEU A 31 -21.616 22.175 -14.870 1.00 60.44 H new ATOM 0 HB3 LEU A 31 -20.208 22.669 -15.789 1.00 60.44 H new ATOM 0 HG LEU A 31 -20.137 20.680 -17.019 1.00 20.21 H new ATOM 0 HD11 LEU A 31 -21.424 18.657 -16.451 1.00 23.04 H new ATOM 0 HD12 LEU A 31 -20.299 19.111 -15.149 1.00 23.04 H new ATOM 0 HD13 LEU A 31 -22.036 19.463 -14.987 1.00 23.04 H new ATOM 0 HD21 LEU A 31 -22.420 20.385 -17.900 1.00 13.35 H new ATOM 0 HD22 LEU A 31 -23.071 21.260 -16.493 1.00 13.35 H new ATOM 0 HD23 LEU A 31 -22.022 22.103 -17.658 1.00 13.35 H new ATOM 527 N VAL A 32 -17.600 20.320 -14.377 1.00 62.50 N ATOM 528 CA VAL A 32 -16.195 20.233 -14.756 1.00 24.31 C ATOM 529 C VAL A 32 -15.973 19.143 -15.799 1.00 21.13 C ATOM 530 O VAL A 32 -16.622 18.097 -15.768 1.00 3.01 O ATOM 531 CB VAL A 32 -15.300 19.949 -13.534 1.00 74.44 C ATOM 532 CG1 VAL A 32 -15.434 18.497 -13.101 1.00 32.24 C ATOM 533 CG2 VAL A 32 -13.851 20.289 -13.845 1.00 2.40 C ATOM 0 H VAL A 32 -17.975 19.472 -13.952 1.00 62.50 H new ATOM 0 HA VAL A 32 -15.922 21.199 -15.181 1.00 24.31 H new ATOM 0 HB VAL A 32 -15.629 20.581 -12.709 1.00 74.44 H new ATOM 0 HG11 VAL A 32 -14.795 18.315 -12.237 1.00 32.24 H new ATOM 0 HG12 VAL A 32 -16.471 18.291 -12.836 1.00 32.24 H new ATOM 0 HG13 VAL A 32 -15.132 17.844 -13.920 1.00 32.24 H new ATOM 0 HG21 VAL A 32 -13.233 20.082 -12.971 1.00 2.40 H new ATOM 0 HG22 VAL A 32 -13.507 19.684 -14.684 1.00 2.40 H new ATOM 0 HG23 VAL A 32 -13.772 21.345 -14.103 1.00 2.40 H new ATOM 543 N LYS A 33 -15.051 19.394 -16.722 1.00 52.22 N ATOM 544 CA LYS A 33 -14.741 18.434 -17.775 1.00 42.51 C ATOM 545 C LYS A 33 -13.585 17.529 -17.362 1.00 70.33 C ATOM 546 O LYS A 33 -13.233 17.454 -16.185 1.00 32.30 O ATOM 547 CB LYS A 33 -14.391 19.166 -19.073 1.00 71.32 C ATOM 548 CG LYS A 33 -13.186 20.082 -18.950 1.00 20.15 C ATOM 549 CD LYS A 33 -12.888 20.791 -20.260 1.00 23.11 C ATOM 550 CE LYS A 33 -13.667 22.092 -20.380 1.00 23.14 C ATOM 551 NZ LYS A 33 -13.193 22.919 -21.524 1.00 60.40 N ATOM 0 H LYS A 33 -14.505 20.255 -16.762 1.00 52.22 H new ATOM 0 HA LYS A 33 -15.623 17.815 -17.940 1.00 42.51 H new ATOM 0 HB2 LYS A 33 -14.199 18.431 -19.854 1.00 71.32 H new ATOM 0 HB3 LYS A 33 -15.252 19.753 -19.392 1.00 71.32 H new ATOM 0 HG2 LYS A 33 -13.367 20.820 -18.169 1.00 20.15 H new ATOM 0 HG3 LYS A 33 -12.316 19.501 -18.644 1.00 20.15 H new ATOM 0 HD2 LYS A 33 -11.820 20.998 -20.328 1.00 23.11 H new ATOM 0 HD3 LYS A 33 -13.140 20.137 -21.095 1.00 23.11 H new ATOM 0 HE2 LYS A 33 -14.727 21.870 -20.507 1.00 23.14 H new ATOM 0 HE3 LYS A 33 -13.569 22.661 -19.455 1.00 23.14 H new ATOM 0 HZ1 LYS A 33 -13.943 23.581 -21.808 1.00 60.40 H new ATOM 0 HZ2 LYS A 33 -12.348 23.454 -21.239 1.00 60.40 H new ATOM 0 HZ3 LYS A 33 -12.956 22.300 -22.325 1.00 60.40 H new ATOM 565 N TRP A 34 -12.998 16.845 -18.338 1.00 33.33 N ATOM 566 CA TRP A 34 -11.881 15.945 -18.075 1.00 3.02 C ATOM 567 C TRP A 34 -10.750 16.177 -19.071 1.00 23.52 C ATOM 568 O TRP A 34 -10.670 15.509 -20.102 1.00 75.40 O ATOM 569 CB TRP A 34 -12.345 14.489 -18.141 1.00 1.14 C ATOM 570 CG TRP A 34 -13.774 14.302 -17.730 1.00 10.14 C ATOM 571 CD1 TRP A 34 -14.340 14.669 -16.542 1.00 21.31 C ATOM 572 CD2 TRP A 34 -14.817 13.701 -18.505 1.00 11.33 C ATOM 573 NE1 TRP A 34 -15.672 14.332 -16.532 1.00 20.20 N ATOM 574 CE2 TRP A 34 -15.990 13.738 -17.725 1.00 24.13 C ATOM 575 CE3 TRP A 34 -14.875 13.138 -19.782 1.00 74.12 C ATOM 576 CZ2 TRP A 34 -17.203 13.231 -18.182 1.00 13.43 C ATOM 577 CZ3 TRP A 34 -16.081 12.635 -20.234 1.00 43.41 C ATOM 578 CH2 TRP A 34 -17.231 12.685 -19.436 1.00 55.42 C ATOM 0 H TRP A 34 -13.277 16.897 -19.318 1.00 33.33 H new ATOM 0 HA TRP A 34 -11.507 16.154 -17.073 1.00 3.02 H new ATOM 0 HB2 TRP A 34 -12.216 14.120 -19.158 1.00 1.14 H new ATOM 0 HB3 TRP A 34 -11.707 13.882 -17.498 1.00 1.14 H new ATOM 0 HD1 TRP A 34 -13.817 15.153 -15.730 1.00 21.31 H new ATOM 0 HE1 TRP A 34 -16.319 14.497 -15.761 1.00 20.20 H new ATOM 0 HE3 TRP A 34 -13.994 13.096 -20.405 1.00 74.12 H new ATOM 0 HZ2 TRP A 34 -18.091 13.267 -17.568 1.00 13.43 H new ATOM 0 HZ3 TRP A 34 -16.137 12.196 -21.219 1.00 43.41 H new ATOM 0 HH2 TRP A 34 -18.158 12.285 -19.818 1.00 55.42 H new ATOM 589 N LYS A 35 -9.876 17.126 -18.756 1.00 45.44 N ATOM 590 CA LYS A 35 -8.747 17.446 -19.623 1.00 31.51 C ATOM 591 C LYS A 35 -9.218 17.742 -21.043 1.00 14.51 C ATOM 592 O LYS A 35 -8.532 17.426 -22.013 1.00 61.04 O ATOM 593 CB LYS A 35 -7.746 16.288 -19.638 1.00 41.10 C ATOM 594 CG LYS A 35 -6.356 16.693 -20.096 1.00 65.44 C ATOM 595 CD LYS A 35 -5.664 15.563 -20.842 1.00 4.55 C ATOM 596 CE LYS A 35 -4.181 15.503 -20.509 1.00 24.30 C ATOM 597 NZ LYS A 35 -3.496 14.393 -21.228 1.00 20.21 N ATOM 0 H LYS A 35 -9.927 17.688 -17.906 1.00 45.44 H new ATOM 0 HA LYS A 35 -8.258 18.337 -19.228 1.00 31.51 H new ATOM 0 HB2 LYS A 35 -7.680 15.863 -18.637 1.00 41.10 H new ATOM 0 HB3 LYS A 35 -8.121 15.503 -20.294 1.00 41.10 H new ATOM 0 HG2 LYS A 35 -6.425 17.568 -20.742 1.00 65.44 H new ATOM 0 HG3 LYS A 35 -5.757 16.981 -19.232 1.00 65.44 H new ATOM 0 HD2 LYS A 35 -6.135 14.614 -20.585 1.00 4.55 H new ATOM 0 HD3 LYS A 35 -5.792 15.702 -21.916 1.00 4.55 H new ATOM 0 HE2 LYS A 35 -3.711 16.451 -20.772 1.00 24.30 H new ATOM 0 HE3 LYS A 35 -4.055 15.372 -19.434 1.00 24.30 H new ATOM 0 HZ1 LYS A 35 -2.487 14.386 -20.975 1.00 20.21 H new ATOM 0 HZ2 LYS A 35 -3.928 13.486 -20.958 1.00 20.21 H new ATOM 0 HZ3 LYS A 35 -3.594 14.531 -22.254 1.00 20.21 H new ATOM 611 N ASN A 36 -10.393 18.354 -21.156 1.00 72.50 N ATOM 612 CA ASN A 36 -10.955 18.694 -22.458 1.00 14.11 C ATOM 613 C ASN A 36 -11.200 17.439 -23.290 1.00 34.12 C ATOM 614 O ASN A 36 -11.288 17.502 -24.516 1.00 64.44 O ATOM 615 CB ASN A 36 -10.019 19.642 -23.209 1.00 4.41 C ATOM 616 CG ASN A 36 -10.574 21.051 -23.301 1.00 25.24 C ATOM 617 OD1 ASN A 36 -11.057 21.472 -24.352 1.00 5.44 O ATOM 618 ND2 ASN A 36 -10.506 21.786 -22.197 1.00 34.03 N ATOM 0 H ASN A 36 -10.974 18.624 -20.362 1.00 72.50 H new ATOM 0 HA ASN A 36 -11.911 19.192 -22.294 1.00 14.11 H new ATOM 0 HB2 ASN A 36 -9.052 19.667 -22.706 1.00 4.41 H new ATOM 0 HB3 ASN A 36 -9.846 19.256 -24.214 1.00 4.41 H new ATOM 0 HD21 ASN A 36 -10.863 22.742 -22.198 1.00 34.03 H new ATOM 0 HD22 ASN A 36 -10.097 21.395 -21.348 1.00 34.03 H new ATOM 625 N TYR A 37 -11.311 16.301 -22.614 1.00 60.53 N ATOM 626 CA TYR A 37 -11.544 15.030 -23.291 1.00 11.04 C ATOM 627 C TYR A 37 -12.959 14.967 -23.858 1.00 62.44 C ATOM 628 O TYR A 37 -13.238 14.193 -24.774 1.00 33.43 O ATOM 629 CB TYR A 37 -11.317 13.865 -22.325 1.00 54.32 C ATOM 630 CG TYR A 37 -11.696 12.519 -22.901 1.00 11.42 C ATOM 631 CD1 TYR A 37 -13.003 12.054 -22.827 1.00 72.54 C ATOM 632 CD2 TYR A 37 -10.747 11.713 -23.517 1.00 11.12 C ATOM 633 CE1 TYR A 37 -13.354 10.824 -23.351 1.00 42.22 C ATOM 634 CE2 TYR A 37 -11.089 10.483 -24.045 1.00 1.24 C ATOM 635 CZ TYR A 37 -12.393 10.043 -23.959 1.00 53.02 C ATOM 636 OH TYR A 37 -12.738 8.818 -24.482 1.00 65.35 O ATOM 0 H TYR A 37 -11.244 16.232 -21.599 1.00 60.53 H new ATOM 0 HA TYR A 37 -10.837 14.952 -24.117 1.00 11.04 H new ATOM 0 HB2 TYR A 37 -10.267 13.844 -22.035 1.00 54.32 H new ATOM 0 HB3 TYR A 37 -11.895 14.038 -21.417 1.00 54.32 H new ATOM 0 HD1 TYR A 37 -13.757 12.664 -22.352 1.00 72.54 H new ATOM 0 HD2 TYR A 37 -9.724 12.054 -23.584 1.00 11.12 H new ATOM 0 HE1 TYR A 37 -14.374 10.476 -23.285 1.00 42.22 H new ATOM 0 HE2 TYR A 37 -10.339 9.870 -24.522 1.00 1.24 H new ATOM 0 HH TYR A 37 -11.946 8.396 -24.875 1.00 65.35 H new ATOM 646 N SER A 38 -13.848 15.788 -23.308 1.00 65.31 N ATOM 647 CA SER A 38 -15.235 15.824 -23.756 1.00 44.14 C ATOM 648 C SER A 38 -16.019 16.898 -23.008 1.00 73.43 C ATOM 649 O SER A 38 -16.864 16.592 -22.167 1.00 72.31 O ATOM 650 CB SER A 38 -15.895 14.459 -23.553 1.00 25.03 C ATOM 651 OG SER A 38 -15.778 13.658 -24.716 1.00 32.44 O ATOM 0 H SER A 38 -13.632 16.437 -22.551 1.00 65.31 H new ATOM 0 HA SER A 38 -15.242 16.067 -24.818 1.00 44.14 H new ATOM 0 HB2 SER A 38 -15.431 13.949 -22.708 1.00 25.03 H new ATOM 0 HB3 SER A 38 -16.948 14.594 -23.305 1.00 25.03 H new ATOM 0 HG SER A 38 -14.879 13.757 -25.092 1.00 32.44 H new ATOM 657 N SER A 39 -15.733 18.157 -23.322 1.00 1.24 N ATOM 658 CA SER A 39 -16.408 19.278 -22.677 1.00 71.41 C ATOM 659 C SER A 39 -17.922 19.087 -22.703 1.00 3.40 C ATOM 660 O SER A 39 -18.590 19.188 -21.674 1.00 21.33 O ATOM 661 CB SER A 39 -16.036 20.591 -23.368 1.00 61.33 C ATOM 662 OG SER A 39 -15.377 20.350 -24.599 1.00 44.04 O ATOM 0 H SER A 39 -15.039 18.427 -24.019 1.00 1.24 H new ATOM 0 HA SER A 39 -16.082 19.318 -21.638 1.00 71.41 H new ATOM 0 HB2 SER A 39 -16.936 21.181 -23.543 1.00 61.33 H new ATOM 0 HB3 SER A 39 -15.391 21.179 -22.715 1.00 61.33 H new ATOM 0 HG SER A 39 -15.151 21.205 -25.022 1.00 44.04 H new ATOM 668 N LYS A 40 -18.457 18.812 -23.888 1.00 2.14 N ATOM 669 CA LYS A 40 -19.891 18.606 -24.051 1.00 10.04 C ATOM 670 C LYS A 40 -20.412 17.588 -23.042 1.00 35.42 C ATOM 671 O LYS A 40 -21.561 17.664 -22.606 1.00 74.42 O ATOM 672 CB LYS A 40 -20.201 18.135 -25.473 1.00 50.23 C ATOM 673 CG LYS A 40 -19.824 16.687 -25.730 1.00 62.44 C ATOM 674 CD LYS A 40 -18.316 16.506 -25.794 1.00 74.32 C ATOM 675 CE LYS A 40 -17.927 15.420 -26.785 1.00 62.05 C ATOM 676 NZ LYS A 40 -18.230 14.058 -26.264 1.00 41.33 N ATOM 0 H LYS A 40 -17.918 18.727 -24.750 1.00 2.14 H new ATOM 0 HA LYS A 40 -20.392 19.557 -23.873 1.00 10.04 H new ATOM 0 HB2 LYS A 40 -21.266 18.264 -25.665 1.00 50.23 H new ATOM 0 HB3 LYS A 40 -19.670 18.771 -26.181 1.00 50.23 H new ATOM 0 HG2 LYS A 40 -20.234 16.058 -24.940 1.00 62.44 H new ATOM 0 HG3 LYS A 40 -20.271 16.354 -26.667 1.00 62.44 H new ATOM 0 HD2 LYS A 40 -17.847 17.447 -26.081 1.00 74.32 H new ATOM 0 HD3 LYS A 40 -17.937 16.250 -24.805 1.00 74.32 H new ATOM 0 HE2 LYS A 40 -18.460 15.577 -27.723 1.00 62.05 H new ATOM 0 HE3 LYS A 40 -16.862 15.495 -27.007 1.00 62.05 H new ATOM 0 HZ1 LYS A 40 -18.361 13.403 -27.061 1.00 41.33 H new ATOM 0 HZ2 LYS A 40 -17.441 13.730 -25.671 1.00 41.33 H new ATOM 0 HZ3 LYS A 40 -19.100 14.089 -25.695 1.00 41.33 H new ATOM 690 N ASP A 41 -19.561 16.637 -22.674 1.00 22.20 N ATOM 691 CA ASP A 41 -19.935 15.605 -21.714 1.00 71.42 C ATOM 692 C ASP A 41 -19.709 16.085 -20.284 1.00 21.30 C ATOM 693 O ASP A 41 -20.658 16.274 -19.525 1.00 54.11 O ATOM 694 CB ASP A 41 -19.134 14.327 -21.969 1.00 73.41 C ATOM 695 CG ASP A 41 -19.851 13.086 -21.473 1.00 64.01 C ATOM 696 OD1 ASP A 41 -20.736 13.220 -20.603 1.00 2.52 O ATOM 697 OD2 ASP A 41 -19.525 11.980 -21.955 1.00 15.34 O ATOM 0 H ASP A 41 -18.607 16.559 -23.026 1.00 22.20 H new ATOM 0 HA ASP A 41 -20.996 15.391 -21.843 1.00 71.42 H new ATOM 0 HB2 ASP A 41 -18.941 14.229 -23.037 1.00 73.41 H new ATOM 0 HB3 ASP A 41 -18.165 14.405 -21.476 1.00 73.41 H new ATOM 702 N ASN A 42 -18.444 16.278 -19.923 1.00 54.32 N ATOM 703 CA ASN A 42 -18.093 16.735 -18.583 1.00 73.33 C ATOM 704 C ASN A 42 -18.904 15.991 -17.526 1.00 4.43 C ATOM 705 O ASN A 42 -19.554 14.987 -17.817 1.00 63.13 O ATOM 706 CB ASN A 42 -18.329 18.241 -18.457 1.00 1.21 C ATOM 707 CG ASN A 42 -19.796 18.608 -18.569 1.00 11.21 C ATOM 708 OD1 ASN A 42 -20.652 17.993 -17.933 1.00 23.41 O ATOM 709 ND2 ASN A 42 -20.093 19.616 -19.381 1.00 53.00 N ATOM 0 H ASN A 42 -17.646 16.125 -20.539 1.00 54.32 H new ATOM 0 HA ASN A 42 -17.036 16.525 -18.419 1.00 73.33 H new ATOM 0 HB2 ASN A 42 -17.943 18.587 -17.498 1.00 1.21 H new ATOM 0 HB3 ASN A 42 -17.767 18.760 -19.233 1.00 1.21 H new ATOM 0 HD21 ASN A 42 -21.063 19.909 -19.497 1.00 53.00 H new ATOM 0 HD22 ASN A 42 -19.351 20.098 -19.889 1.00 53.00 H new ATOM 716 N THR A 43 -18.861 16.492 -16.295 1.00 1.41 N ATOM 717 CA THR A 43 -19.590 15.877 -15.193 1.00 60.44 C ATOM 718 C THR A 43 -20.010 16.918 -14.162 1.00 74.42 C ATOM 719 O THR A 43 -19.281 17.874 -13.900 1.00 15.23 O ATOM 720 CB THR A 43 -18.746 14.793 -14.497 1.00 65.31 C ATOM 721 OG1 THR A 43 -17.360 15.154 -14.530 1.00 54.34 O ATOM 722 CG2 THR A 43 -18.938 13.442 -15.169 1.00 75.30 C ATOM 0 H THR A 43 -18.328 17.323 -16.036 1.00 1.41 H new ATOM 0 HA THR A 43 -20.480 15.415 -15.622 1.00 60.44 H new ATOM 0 HB THR A 43 -19.077 14.717 -13.461 1.00 65.31 H new ATOM 0 HG1 THR A 43 -16.850 14.549 -13.952 1.00 54.34 H new ATOM 0 HG21 THR A 43 -18.332 12.693 -14.660 1.00 75.30 H new ATOM 0 HG22 THR A 43 -19.988 13.156 -15.117 1.00 75.30 H new ATOM 0 HG23 THR A 43 -18.632 13.508 -16.213 1.00 75.30 H new ATOM 730 N TRP A 44 -21.189 16.725 -13.581 1.00 24.23 N ATOM 731 CA TRP A 44 -21.705 17.648 -12.577 1.00 14.13 C ATOM 732 C TRP A 44 -21.246 17.246 -11.180 1.00 20.13 C ATOM 733 O TRP A 44 -21.363 16.085 -10.789 1.00 64.13 O ATOM 734 CB TRP A 44 -23.233 17.691 -12.632 1.00 33.00 C ATOM 735 CG TRP A 44 -23.776 17.762 -14.027 1.00 65.05 C ATOM 736 CD1 TRP A 44 -24.096 18.891 -14.726 1.00 2.02 C ATOM 737 CD2 TRP A 44 -24.062 16.658 -14.893 1.00 33.24 C ATOM 738 NE1 TRP A 44 -24.565 18.555 -15.973 1.00 44.21 N ATOM 739 CE2 TRP A 44 -24.553 17.191 -16.100 1.00 50.44 C ATOM 740 CE3 TRP A 44 -23.950 15.271 -14.765 1.00 75.35 C ATOM 741 CZ2 TRP A 44 -24.931 16.385 -17.171 1.00 14.34 C ATOM 742 CZ3 TRP A 44 -24.327 14.472 -15.828 1.00 63.05 C ATOM 743 CH2 TRP A 44 -24.812 15.031 -17.019 1.00 25.44 C ATOM 0 H TRP A 44 -21.805 15.939 -13.788 1.00 24.23 H new ATOM 0 HA TRP A 44 -21.312 18.641 -12.796 1.00 14.13 H new ATOM 0 HB2 TRP A 44 -23.632 16.804 -12.139 1.00 33.00 H new ATOM 0 HB3 TRP A 44 -23.585 18.555 -12.068 1.00 33.00 H new ATOM 0 HD1 TRP A 44 -23.995 19.900 -14.353 1.00 2.02 H new ATOM 0 HE1 TRP A 44 -24.872 19.214 -16.688 1.00 44.21 H new ATOM 0 HE3 TRP A 44 -23.576 14.831 -13.852 1.00 75.35 H new ATOM 0 HZ2 TRP A 44 -25.305 16.814 -18.089 1.00 14.34 H new ATOM 0 HZ3 TRP A 44 -24.247 13.399 -15.740 1.00 63.05 H new ATOM 0 HH2 TRP A 44 -25.097 14.380 -17.832 1.00 25.44 H new ATOM 754 N GLU A 45 -20.724 18.213 -10.432 1.00 20.04 N ATOM 755 CA GLU A 45 -20.247 17.957 -9.078 1.00 2.24 C ATOM 756 C GLU A 45 -20.634 19.097 -8.140 1.00 4.30 C ATOM 757 O GLU A 45 -20.285 20.255 -8.374 1.00 54.20 O ATOM 758 CB GLU A 45 -18.728 17.773 -9.075 1.00 22.03 C ATOM 759 CG GLU A 45 -18.277 16.429 -9.622 1.00 4.22 C ATOM 760 CD GLU A 45 -17.498 15.617 -8.605 1.00 72.11 C ATOM 761 OE1 GLU A 45 -17.895 15.613 -7.421 1.00 4.43 O ATOM 762 OE2 GLU A 45 -16.493 14.985 -8.993 1.00 54.51 O ATOM 0 H GLU A 45 -20.621 19.180 -10.740 1.00 20.04 H new ATOM 0 HA GLU A 45 -20.718 17.041 -8.722 1.00 2.24 H new ATOM 0 HB2 GLU A 45 -18.273 18.568 -9.666 1.00 22.03 H new ATOM 0 HB3 GLU A 45 -18.359 17.883 -8.055 1.00 22.03 H new ATOM 0 HG2 GLU A 45 -19.150 15.861 -9.944 1.00 4.22 H new ATOM 0 HG3 GLU A 45 -17.658 16.589 -10.505 1.00 4.22 H new ATOM 769 N THR A 46 -21.357 18.761 -7.077 1.00 14.55 N ATOM 770 CA THR A 46 -21.794 19.755 -6.104 1.00 43.51 C ATOM 771 C THR A 46 -20.667 20.725 -5.766 1.00 12.12 C ATOM 772 O THR A 46 -19.492 20.365 -5.812 1.00 64.22 O ATOM 773 CB THR A 46 -22.291 19.091 -4.806 1.00 51.24 C ATOM 774 OG1 THR A 46 -21.751 17.770 -4.695 1.00 35.45 O ATOM 775 CG2 THR A 46 -23.811 19.028 -4.779 1.00 2.02 C ATOM 0 H THR A 46 -21.653 17.808 -6.867 1.00 14.55 H new ATOM 0 HA THR A 46 -22.618 20.303 -6.561 1.00 43.51 H new ATOM 0 HB THR A 46 -21.953 19.693 -3.962 1.00 51.24 H new ATOM 0 HG1 THR A 46 -22.108 17.337 -3.891 1.00 35.45 H new ATOM 0 HG21 THR A 46 -24.139 18.555 -3.853 1.00 2.02 H new ATOM 0 HG22 THR A 46 -24.218 20.038 -4.835 1.00 2.02 H new ATOM 0 HG23 THR A 46 -24.166 18.446 -5.629 1.00 2.02 H new ATOM 783 N GLU A 47 -21.035 21.956 -5.425 1.00 2.41 N ATOM 784 CA GLU A 47 -20.053 22.978 -5.079 1.00 31.32 C ATOM 785 C GLU A 47 -19.206 22.537 -3.888 1.00 53.13 C ATOM 786 O GLU A 47 -18.086 23.011 -3.700 1.00 41.53 O ATOM 787 CB GLU A 47 -20.752 24.301 -4.760 1.00 1.02 C ATOM 788 CG GLU A 47 -19.874 25.287 -4.008 1.00 21.03 C ATOM 789 CD GLU A 47 -20.566 26.613 -3.760 1.00 40.30 C ATOM 790 OE1 GLU A 47 -21.809 26.622 -3.643 1.00 71.12 O ATOM 791 OE2 GLU A 47 -19.863 27.643 -3.683 1.00 13.01 O ATOM 0 H GLU A 47 -22.005 22.270 -5.381 1.00 2.41 H new ATOM 0 HA GLU A 47 -19.396 23.120 -5.937 1.00 31.32 H new ATOM 0 HB2 GLU A 47 -21.085 24.760 -5.691 1.00 1.02 H new ATOM 0 HB3 GLU A 47 -21.644 24.097 -4.168 1.00 1.02 H new ATOM 0 HG2 GLU A 47 -19.580 24.851 -3.053 1.00 21.03 H new ATOM 0 HG3 GLU A 47 -18.959 25.459 -4.575 1.00 21.03 H new ATOM 798 N ASP A 48 -19.750 21.628 -3.087 1.00 74.43 N ATOM 799 CA ASP A 48 -19.046 21.122 -1.915 1.00 21.21 C ATOM 800 C ASP A 48 -18.322 19.818 -2.236 1.00 50.14 C ATOM 801 O ASP A 48 -17.662 19.235 -1.376 1.00 71.53 O ATOM 802 CB ASP A 48 -20.025 20.905 -0.760 1.00 25.13 C ATOM 803 CG ASP A 48 -20.026 22.060 0.223 1.00 64.53 C ATOM 804 OD1 ASP A 48 -19.594 23.167 -0.162 1.00 30.31 O ATOM 805 OD2 ASP A 48 -20.459 21.856 1.376 1.00 41.30 O ATOM 0 H ASP A 48 -20.677 21.226 -3.228 1.00 74.43 H new ATOM 0 HA ASP A 48 -18.305 21.864 -1.619 1.00 21.21 H new ATOM 0 HB2 ASP A 48 -21.030 20.771 -1.160 1.00 25.13 H new ATOM 0 HB3 ASP A 48 -19.765 19.985 -0.235 1.00 25.13 H new ATOM 810 N ASP A 49 -18.451 19.367 -3.479 1.00 73.40 N ATOM 811 CA ASP A 49 -17.810 18.132 -3.914 1.00 64.44 C ATOM 812 C ASP A 49 -16.863 18.393 -5.081 1.00 45.44 C ATOM 813 O ASP A 49 -16.127 17.503 -5.508 1.00 61.11 O ATOM 814 CB ASP A 49 -18.863 17.099 -4.318 1.00 53.13 C ATOM 815 CG ASP A 49 -19.716 16.653 -3.147 1.00 4.04 C ATOM 816 OD1 ASP A 49 -20.304 17.526 -2.475 1.00 61.01 O ATOM 817 OD2 ASP A 49 -19.794 15.431 -2.901 1.00 23.15 O ATOM 0 H ASP A 49 -18.994 19.838 -4.203 1.00 73.40 H new ATOM 0 HA ASP A 49 -17.230 17.740 -3.079 1.00 64.44 H new ATOM 0 HB2 ASP A 49 -19.505 17.522 -5.091 1.00 53.13 H new ATOM 0 HB3 ASP A 49 -18.368 16.231 -4.754 1.00 53.13 H new ATOM 822 N ILE A 50 -16.887 19.619 -5.593 1.00 54.32 N ATOM 823 CA ILE A 50 -16.031 19.998 -6.711 1.00 32.45 C ATOM 824 C ILE A 50 -14.775 20.712 -6.223 1.00 60.33 C ATOM 825 O ILE A 50 -13.703 20.577 -6.814 1.00 73.30 O ATOM 826 CB ILE A 50 -16.774 20.910 -7.705 1.00 25.30 C ATOM 827 CG1 ILE A 50 -15.891 21.200 -8.921 1.00 10.33 C ATOM 828 CG2 ILE A 50 -17.191 22.205 -7.025 1.00 54.02 C ATOM 829 CD1 ILE A 50 -16.413 20.595 -10.205 1.00 20.32 C ATOM 0 H ILE A 50 -17.490 20.367 -5.251 1.00 54.32 H new ATOM 0 HA ILE A 50 -15.748 19.076 -7.219 1.00 32.45 H new ATOM 0 HB ILE A 50 -17.673 20.396 -8.046 1.00 25.30 H new ATOM 0 HG12 ILE A 50 -15.803 22.279 -9.047 1.00 10.33 H new ATOM 0 HG13 ILE A 50 -14.888 20.818 -8.731 1.00 10.33 H new ATOM 0 HG21 ILE A 50 -17.715 22.839 -7.740 1.00 54.02 H new ATOM 0 HG22 ILE A 50 -17.851 21.980 -6.188 1.00 54.02 H new ATOM 0 HG23 ILE A 50 -16.306 22.725 -6.659 1.00 54.02 H new ATOM 0 HD11 ILE A 50 -15.737 20.841 -11.024 1.00 20.32 H new ATOM 0 HD12 ILE A 50 -16.475 19.512 -10.098 1.00 20.32 H new ATOM 0 HD13 ILE A 50 -17.404 20.995 -10.419 1.00 20.32 H new ATOM 841 N ARG A 51 -14.914 21.470 -5.141 1.00 54.41 N ATOM 842 CA ARG A 51 -13.791 22.206 -4.574 1.00 24.55 C ATOM 843 C ARG A 51 -12.892 21.280 -3.758 1.00 41.41 C ATOM 844 O ARG A 51 -11.738 21.606 -3.477 1.00 50.10 O ATOM 845 CB ARG A 51 -14.295 23.350 -3.693 1.00 40.30 C ATOM 846 CG ARG A 51 -14.446 22.972 -2.229 1.00 21.42 C ATOM 847 CD ARG A 51 -15.592 21.994 -2.022 1.00 13.25 C ATOM 848 NE ARG A 51 -15.572 21.401 -0.687 1.00 2.51 N ATOM 849 CZ ARG A 51 -15.862 22.075 0.421 1.00 60.22 C ATOM 850 NH1 ARG A 51 -16.194 23.357 0.354 1.00 63.34 N ATOM 851 NH2 ARG A 51 -15.821 21.466 1.599 1.00 72.52 N ATOM 0 H ARG A 51 -15.794 21.591 -4.639 1.00 54.41 H new ATOM 0 HA ARG A 51 -13.208 22.620 -5.397 1.00 24.55 H new ATOM 0 HB2 ARG A 51 -13.605 24.190 -3.773 1.00 40.30 H new ATOM 0 HB3 ARG A 51 -15.258 23.692 -4.072 1.00 40.30 H new ATOM 0 HG2 ARG A 51 -13.518 22.528 -1.869 1.00 21.42 H new ATOM 0 HG3 ARG A 51 -14.621 23.870 -1.636 1.00 21.42 H new ATOM 0 HD2 ARG A 51 -16.540 22.509 -2.176 1.00 13.25 H new ATOM 0 HD3 ARG A 51 -15.534 21.204 -2.770 1.00 13.25 H new ATOM 0 HE ARG A 51 -15.322 20.416 -0.601 1.00 2.51 H new ATOM 0 HH11 ARG A 51 -16.227 23.829 -0.550 1.00 63.34 H new ATOM 0 HH12 ARG A 51 -16.416 23.872 1.206 1.00 63.34 H new ATOM 0 HH21 ARG A 51 -15.567 20.480 1.655 1.00 72.52 H new ATOM 0 HH22 ARG A 51 -16.044 21.984 2.449 1.00 72.52 H new ATOM 865 N THR A 52 -13.429 20.124 -3.380 1.00 2.41 N ATOM 866 CA THR A 52 -12.677 19.153 -2.596 1.00 32.23 C ATOM 867 C THR A 52 -11.903 18.199 -3.498 1.00 23.11 C ATOM 868 O THR A 52 -10.855 17.679 -3.115 1.00 23.51 O ATOM 869 CB THR A 52 -13.604 18.334 -1.678 1.00 12.15 C ATOM 870 OG1 THR A 52 -12.833 17.415 -0.896 1.00 4.31 O ATOM 871 CG2 THR A 52 -14.637 17.571 -2.493 1.00 51.00 C ATOM 0 H THR A 52 -14.382 19.838 -3.604 1.00 2.41 H new ATOM 0 HA THR A 52 -11.976 19.718 -1.982 1.00 32.23 H new ATOM 0 HB THR A 52 -14.125 19.025 -1.016 1.00 12.15 H new ATOM 0 HG1 THR A 52 -13.430 16.900 -0.314 1.00 4.31 H new ATOM 0 HG21 THR A 52 -15.280 17.000 -1.823 1.00 51.00 H new ATOM 0 HG22 THR A 52 -15.242 18.275 -3.064 1.00 51.00 H new ATOM 0 HG23 THR A 52 -14.130 16.890 -3.177 1.00 51.00 H new ATOM 879 N LYS A 53 -12.424 17.973 -4.699 1.00 13.50 N ATOM 880 CA LYS A 53 -11.781 17.083 -5.658 1.00 51.31 C ATOM 881 C LYS A 53 -11.050 17.880 -6.734 1.00 74.24 C ATOM 882 O LYS A 53 -10.017 17.448 -7.246 1.00 74.42 O ATOM 883 CB LYS A 53 -12.818 16.163 -6.306 1.00 31.35 C ATOM 884 CG LYS A 53 -13.644 15.376 -5.302 1.00 64.13 C ATOM 885 CD LYS A 53 -14.947 14.888 -5.913 1.00 24.10 C ATOM 886 CE LYS A 53 -14.811 13.475 -6.459 1.00 73.30 C ATOM 887 NZ LYS A 53 -16.102 12.734 -6.408 1.00 13.34 N ATOM 0 H LYS A 53 -13.291 18.395 -5.032 1.00 13.50 H new ATOM 0 HA LYS A 53 -11.052 16.477 -5.121 1.00 51.31 H new ATOM 0 HB2 LYS A 53 -13.487 16.762 -6.924 1.00 31.35 H new ATOM 0 HB3 LYS A 53 -12.308 15.466 -6.971 1.00 31.35 H new ATOM 0 HG2 LYS A 53 -13.067 14.523 -4.944 1.00 64.13 H new ATOM 0 HG3 LYS A 53 -13.859 16.002 -4.436 1.00 64.13 H new ATOM 0 HD2 LYS A 53 -15.735 14.914 -5.161 1.00 24.10 H new ATOM 0 HD3 LYS A 53 -15.249 15.562 -6.715 1.00 24.10 H new ATOM 0 HE2 LYS A 53 -14.456 13.516 -7.489 1.00 73.30 H new ATOM 0 HE3 LYS A 53 -14.059 12.934 -5.884 1.00 73.30 H new ATOM 0 HZ1 LYS A 53 -15.967 11.776 -6.789 1.00 13.34 H new ATOM 0 HZ2 LYS A 53 -16.428 12.672 -5.422 1.00 13.34 H new ATOM 0 HZ3 LYS A 53 -16.813 13.236 -6.977 1.00 13.34 H new ATOM 901 N TYR A 54 -11.592 19.045 -7.072 1.00 72.41 N ATOM 902 CA TYR A 54 -10.992 19.901 -8.088 1.00 60.22 C ATOM 903 C TYR A 54 -10.839 21.330 -7.576 1.00 31.43 C ATOM 904 O TYR A 54 -10.946 22.289 -8.338 1.00 1.52 O ATOM 905 CB TYR A 54 -11.842 19.891 -9.360 1.00 1.51 C ATOM 906 CG TYR A 54 -12.357 18.520 -9.734 1.00 20.00 C ATOM 907 CD1 TYR A 54 -11.491 17.528 -10.176 1.00 60.41 C ATOM 908 CD2 TYR A 54 -13.710 18.216 -9.644 1.00 40.32 C ATOM 909 CE1 TYR A 54 -11.957 16.274 -10.520 1.00 34.44 C ATOM 910 CE2 TYR A 54 -14.185 16.964 -9.984 1.00 51.42 C ATOM 911 CZ TYR A 54 -13.305 15.997 -10.422 1.00 31.32 C ATOM 912 OH TYR A 54 -13.773 14.748 -10.762 1.00 15.34 O ATOM 0 H TYR A 54 -12.446 19.418 -6.657 1.00 72.41 H new ATOM 0 HA TYR A 54 -10.001 19.509 -8.318 1.00 60.22 H new ATOM 0 HB2 TYR A 54 -12.689 20.564 -9.226 1.00 1.51 H new ATOM 0 HB3 TYR A 54 -11.250 20.285 -10.186 1.00 1.51 H new ATOM 0 HD1 TYR A 54 -10.435 17.741 -10.252 1.00 60.41 H new ATOM 0 HD2 TYR A 54 -14.402 18.971 -9.302 1.00 40.32 H new ATOM 0 HE1 TYR A 54 -11.270 15.515 -10.864 1.00 34.44 H new ATOM 0 HE2 TYR A 54 -15.240 16.744 -9.907 1.00 51.42 H new ATOM 0 HH TYR A 54 -13.077 14.259 -11.249 1.00 15.34 H new ATOM 922 N GLY A 55 -10.587 21.462 -6.277 1.00 34.22 N ATOM 923 CA GLY A 55 -10.423 22.776 -5.683 1.00 70.20 C ATOM 924 C GLY A 55 -9.405 23.622 -6.421 1.00 51.42 C ATOM 925 O GLY A 55 -9.423 24.850 -6.327 1.00 20.32 O ATOM 0 H GLY A 55 -10.494 20.683 -5.626 1.00 34.22 H new ATOM 0 HA2 GLY A 55 -11.383 23.291 -5.677 1.00 70.20 H new ATOM 0 HA3 GLY A 55 -10.114 22.666 -4.644 1.00 70.20 H new ATOM 929 N ASP A 56 -8.514 22.966 -7.157 1.00 13.35 N ATOM 930 CA ASP A 56 -7.483 23.667 -7.913 1.00 72.45 C ATOM 931 C ASP A 56 -8.107 24.611 -8.936 1.00 1.51 C ATOM 932 O ASP A 56 -7.794 25.802 -8.969 1.00 0.45 O ATOM 933 CB ASP A 56 -6.569 22.664 -8.619 1.00 25.03 C ATOM 934 CG ASP A 56 -5.109 22.861 -8.261 1.00 25.12 C ATOM 935 OD1 ASP A 56 -4.488 23.802 -8.798 1.00 13.35 O ATOM 936 OD2 ASP A 56 -4.586 22.073 -7.445 1.00 1.15 O ATOM 0 H ASP A 56 -8.485 21.950 -7.246 1.00 13.35 H new ATOM 0 HA ASP A 56 -6.892 24.257 -7.213 1.00 72.45 H new ATOM 0 HB2 ASP A 56 -6.872 21.651 -8.353 1.00 25.03 H new ATOM 0 HB3 ASP A 56 -6.692 22.761 -9.698 1.00 25.03 H new ATOM 941 N LEU A 57 -8.990 24.073 -9.770 1.00 4.01 N ATOM 942 CA LEU A 57 -9.657 24.868 -10.795 1.00 73.30 C ATOM 943 C LEU A 57 -10.857 25.608 -10.214 1.00 54.50 C ATOM 944 O LEU A 57 -11.180 26.718 -10.638 1.00 51.31 O ATOM 945 CB LEU A 57 -10.107 23.972 -11.950 1.00 60.24 C ATOM 946 CG LEU A 57 -10.455 22.528 -11.584 1.00 41.54 C ATOM 947 CD1 LEU A 57 -11.605 22.023 -12.441 1.00 60.24 C ATOM 948 CD2 LEU A 57 -9.236 21.630 -11.740 1.00 14.30 C ATOM 0 H LEU A 57 -9.261 23.090 -9.757 1.00 4.01 H new ATOM 0 HA LEU A 57 -8.946 25.604 -11.170 1.00 73.30 H new ATOM 0 HB2 LEU A 57 -10.980 24.427 -12.418 1.00 60.24 H new ATOM 0 HB3 LEU A 57 -9.316 23.955 -12.700 1.00 60.24 H new ATOM 0 HG LEU A 57 -10.769 22.503 -10.540 1.00 41.54 H new ATOM 0 HD11 LEU A 57 -11.839 20.994 -12.167 1.00 60.24 H new ATOM 0 HD12 LEU A 57 -12.482 22.650 -12.279 1.00 60.24 H new ATOM 0 HD13 LEU A 57 -11.320 22.062 -13.492 1.00 60.24 H new ATOM 0 HD21 LEU A 57 -9.502 20.607 -11.475 1.00 14.30 H new ATOM 0 HD22 LEU A 57 -8.892 21.660 -12.774 1.00 14.30 H new ATOM 0 HD23 LEU A 57 -8.440 21.980 -11.083 1.00 14.30 H new ATOM 960 N VAL A 58 -11.514 24.988 -9.239 1.00 72.11 N ATOM 961 CA VAL A 58 -12.677 25.589 -8.597 1.00 42.40 C ATOM 962 C VAL A 58 -12.351 26.979 -8.062 1.00 12.23 C ATOM 963 O VAL A 58 -13.159 27.902 -8.169 1.00 33.14 O ATOM 964 CB VAL A 58 -13.195 24.714 -7.440 1.00 42.13 C ATOM 965 CG1 VAL A 58 -14.359 25.394 -6.736 1.00 3.13 C ATOM 966 CG2 VAL A 58 -13.600 23.340 -7.953 1.00 11.34 C ATOM 0 H VAL A 58 -11.260 24.069 -8.876 1.00 72.11 H new ATOM 0 HA VAL A 58 -13.453 25.668 -9.358 1.00 42.40 H new ATOM 0 HB VAL A 58 -12.390 24.584 -6.716 1.00 42.13 H new ATOM 0 HG11 VAL A 58 -14.712 24.761 -5.922 1.00 3.13 H new ATOM 0 HG12 VAL A 58 -14.031 26.353 -6.334 1.00 3.13 H new ATOM 0 HG13 VAL A 58 -15.169 25.556 -7.447 1.00 3.13 H new ATOM 0 HG21 VAL A 58 -13.964 22.734 -7.123 1.00 11.34 H new ATOM 0 HG22 VAL A 58 -14.389 23.448 -8.697 1.00 11.34 H new ATOM 0 HG23 VAL A 58 -12.737 22.852 -8.407 1.00 11.34 H new ATOM 976 N ASP A 59 -11.163 27.122 -7.486 1.00 64.21 N ATOM 977 CA ASP A 59 -10.728 28.400 -6.935 1.00 13.22 C ATOM 978 C ASP A 59 -10.204 29.317 -8.036 1.00 32.21 C ATOM 979 O ASP A 59 -9.689 30.401 -7.762 1.00 14.01 O ATOM 980 CB ASP A 59 -9.645 28.182 -5.877 1.00 14.20 C ATOM 981 CG ASP A 59 -10.146 27.377 -4.694 1.00 3.44 C ATOM 982 OD1 ASP A 59 -11.357 27.078 -4.650 1.00 31.01 O ATOM 983 OD2 ASP A 59 -9.326 27.048 -3.811 1.00 20.33 O ATOM 0 H ASP A 59 -10.483 26.368 -7.388 1.00 64.21 H new ATOM 0 HA ASP A 59 -11.589 28.878 -6.469 1.00 13.22 H new ATOM 0 HB2 ASP A 59 -8.797 27.668 -6.330 1.00 14.20 H new ATOM 0 HB3 ASP A 59 -9.282 29.149 -5.528 1.00 14.20 H new ATOM 988 N ASP A 60 -10.338 28.873 -9.281 1.00 2.50 N ATOM 989 CA ASP A 60 -9.878 29.654 -10.424 1.00 22.31 C ATOM 990 C ASP A 60 -11.048 30.046 -11.321 1.00 21.33 C ATOM 991 O ASP A 60 -10.936 30.956 -12.142 1.00 14.32 O ATOM 992 CB ASP A 60 -8.846 28.861 -11.228 1.00 32.22 C ATOM 993 CG ASP A 60 -7.434 29.059 -10.713 1.00 31.12 C ATOM 994 OD1 ASP A 60 -6.984 30.222 -10.647 1.00 42.13 O ATOM 995 OD2 ASP A 60 -6.780 28.051 -10.374 1.00 64.24 O ATOM 0 H ASP A 60 -10.761 27.977 -9.525 1.00 2.50 H new ATOM 0 HA ASP A 60 -9.412 30.564 -10.047 1.00 22.31 H new ATOM 0 HB2 ASP A 60 -9.098 27.801 -11.191 1.00 32.22 H new ATOM 0 HB3 ASP A 60 -8.894 29.164 -12.274 1.00 32.22 H new ATOM 1000 N PHE A 61 -12.169 29.351 -11.159 1.00 14.54 N ATOM 1001 CA PHE A 61 -13.360 29.625 -11.955 1.00 0.41 C ATOM 1002 C PHE A 61 -14.357 30.472 -11.169 1.00 32.42 C ATOM 1003 O PHE A 61 -14.741 31.558 -11.601 1.00 74.54 O ATOM 1004 CB PHE A 61 -14.019 28.316 -12.393 1.00 22.20 C ATOM 1005 CG PHE A 61 -15.317 28.513 -13.122 1.00 34.43 C ATOM 1006 CD1 PHE A 61 -15.329 28.810 -14.475 1.00 35.30 C ATOM 1007 CD2 PHE A 61 -16.526 28.401 -12.453 1.00 61.13 C ATOM 1008 CE1 PHE A 61 -16.523 28.991 -15.149 1.00 3.02 C ATOM 1009 CE2 PHE A 61 -17.722 28.581 -13.122 1.00 31.32 C ATOM 1010 CZ PHE A 61 -17.721 28.877 -14.471 1.00 5.32 C ATOM 0 H PHE A 61 -12.278 28.594 -10.484 1.00 14.54 H new ATOM 0 HA PHE A 61 -13.054 30.183 -12.840 1.00 0.41 H new ATOM 0 HB2 PHE A 61 -13.330 27.769 -13.036 1.00 22.20 H new ATOM 0 HB3 PHE A 61 -14.196 27.696 -11.514 1.00 22.20 H new ATOM 0 HD1 PHE A 61 -14.395 28.901 -15.010 1.00 35.30 H new ATOM 0 HD2 PHE A 61 -16.533 28.171 -11.398 1.00 61.13 H new ATOM 0 HE1 PHE A 61 -16.519 29.221 -16.204 1.00 3.02 H new ATOM 0 HE2 PHE A 61 -18.657 28.490 -12.590 1.00 31.32 H new ATOM 0 HZ PHE A 61 -18.655 29.019 -14.995 1.00 5.32 H new ATOM 1020 N GLU A 62 -14.772 29.965 -10.012 1.00 30.50 N ATOM 1021 CA GLU A 62 -15.726 30.673 -9.166 1.00 64.03 C ATOM 1022 C GLU A 62 -15.098 31.932 -8.575 1.00 61.01 C ATOM 1023 O GLU A 62 -15.773 32.942 -8.375 1.00 75.33 O ATOM 1024 CB GLU A 62 -16.220 29.760 -8.042 1.00 54.42 C ATOM 1025 CG GLU A 62 -15.222 29.594 -6.909 1.00 65.44 C ATOM 1026 CD GLU A 62 -15.426 30.604 -5.798 1.00 12.33 C ATOM 1027 OE1 GLU A 62 -16.168 31.585 -6.016 1.00 23.03 O ATOM 1028 OE2 GLU A 62 -14.844 30.414 -4.709 1.00 75.40 O ATOM 0 H GLU A 62 -14.463 29.067 -9.639 1.00 30.50 H new ATOM 0 HA GLU A 62 -16.574 30.967 -9.785 1.00 64.03 H new ATOM 0 HB2 GLU A 62 -17.149 30.163 -7.640 1.00 54.42 H new ATOM 0 HB3 GLU A 62 -16.452 28.779 -8.457 1.00 54.42 H new ATOM 0 HG2 GLU A 62 -15.307 28.587 -6.500 1.00 65.44 H new ATOM 0 HG3 GLU A 62 -14.211 29.693 -7.303 1.00 65.44 H new ATOM 1035 N LYS A 63 -13.800 31.864 -8.297 1.00 15.25 N ATOM 1036 CA LYS A 63 -13.079 32.997 -7.729 1.00 11.02 C ATOM 1037 C LYS A 63 -12.940 34.121 -8.751 1.00 23.32 C ATOM 1038 O LYS A 63 -12.555 35.238 -8.410 1.00 4.14 O ATOM 1039 CB LYS A 63 -11.695 32.557 -7.247 1.00 21.11 C ATOM 1040 CG LYS A 63 -11.738 31.567 -6.096 1.00 1.14 C ATOM 1041 CD LYS A 63 -12.339 32.190 -4.847 1.00 2.22 C ATOM 1042 CE LYS A 63 -11.958 31.411 -3.597 1.00 12.41 C ATOM 1043 NZ LYS A 63 -12.255 29.959 -3.737 1.00 22.22 N ATOM 0 H LYS A 63 -13.226 31.036 -8.456 1.00 15.25 H new ATOM 0 HA LYS A 63 -13.651 33.371 -6.880 1.00 11.02 H new ATOM 0 HB2 LYS A 63 -11.155 32.109 -8.081 1.00 21.11 H new ATOM 0 HB3 LYS A 63 -11.131 33.437 -6.938 1.00 21.11 H new ATOM 0 HG2 LYS A 63 -12.324 30.695 -6.387 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -10.729 31.216 -5.879 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -11.997 33.221 -4.753 1.00 2.22 H new ATOM 0 HD3 LYS A 63 -13.425 32.221 -4.941 1.00 2.22 H new ATOM 0 HE2 LYS A 63 -10.896 31.547 -3.394 1.00 12.41 H new ATOM 0 HE3 LYS A 63 -12.500 31.812 -2.740 1.00 12.41 H new ATOM 0 HZ1 LYS A 63 -12.126 29.488 -2.819 1.00 22.22 H new ATOM 0 HZ2 LYS A 63 -13.237 29.835 -4.055 1.00 22.22 H new ATOM 0 HZ3 LYS A 63 -11.609 29.538 -4.435 1.00 22.22 H new ATOM 1057 N ASN A 64 -13.257 33.816 -10.005 1.00 50.51 N ATOM 1058 CA ASN A 64 -13.168 34.802 -11.077 1.00 22.15 C ATOM 1059 C ASN A 64 -14.536 35.410 -11.372 1.00 24.13 C ATOM 1060 O ASN A 64 -14.661 36.621 -11.552 1.00 20.22 O ATOM 1061 CB ASN A 64 -12.599 34.159 -12.343 1.00 71.20 C ATOM 1062 CG ASN A 64 -11.098 33.959 -12.266 1.00 3.30 C ATOM 1063 OD1 ASN A 64 -10.372 34.250 -13.217 1.00 72.32 O ATOM 1064 ND2 ASN A 64 -10.625 33.461 -11.130 1.00 2.04 N ATOM 0 H ASN A 64 -13.578 32.895 -10.304 1.00 50.51 H new ATOM 0 HA ASN A 64 -12.499 35.598 -10.750 1.00 22.15 H new ATOM 0 HB2 ASN A 64 -13.083 33.196 -12.507 1.00 71.20 H new ATOM 0 HB3 ASN A 64 -12.836 34.785 -13.203 1.00 71.20 H new ATOM 0 HD21 ASN A 64 -9.623 33.305 -11.019 1.00 2.04 H new ATOM 0 HD22 ASN A 64 -11.264 33.234 -10.368 1.00 2.04 H new ATOM 1071 N GLN A 65 -15.557 34.561 -11.419 1.00 21.32 N ATOM 1072 CA GLN A 65 -16.915 35.015 -11.692 1.00 73.31 C ATOM 1073 C GLN A 65 -17.586 35.522 -10.420 1.00 30.03 C ATOM 1074 O GLN A 65 -18.709 36.027 -10.455 1.00 65.54 O ATOM 1075 CB GLN A 65 -17.742 33.881 -12.301 1.00 62.21 C ATOM 1076 CG GLN A 65 -18.143 32.813 -11.296 1.00 55.13 C ATOM 1077 CD GLN A 65 -19.533 33.036 -10.732 1.00 61.33 C ATOM 1078 OE1 GLN A 65 -19.690 33.462 -9.588 1.00 0.21 O ATOM 1079 NE2 GLN A 65 -20.551 32.748 -11.535 1.00 20.43 N ATOM 0 H GLN A 65 -15.470 33.555 -11.272 1.00 21.32 H new ATOM 0 HA GLN A 65 -16.859 35.838 -12.404 1.00 73.31 H new ATOM 0 HB2 GLN A 65 -18.642 34.300 -12.752 1.00 62.21 H new ATOM 0 HB3 GLN A 65 -17.170 33.416 -13.104 1.00 62.21 H new ATOM 0 HG2 GLN A 65 -18.102 31.835 -11.775 1.00 55.13 H new ATOM 0 HG3 GLN A 65 -17.421 32.799 -10.479 1.00 55.13 H new ATOM 0 HE21 GLN A 65 -20.375 32.397 -12.476 1.00 20.43 H new ATOM 0 HE22 GLN A 65 -21.509 32.878 -11.210 1.00 20.43 H new ATOM 1088 N LYS A 66 -16.891 35.385 -9.295 1.00 73.45 N ATOM 1089 CA LYS A 66 -17.418 35.829 -8.011 1.00 11.42 C ATOM 1090 C LYS A 66 -17.742 37.320 -8.042 1.00 71.41 C ATOM 1091 O LYS A 66 -18.617 37.791 -7.316 1.00 34.23 O ATOM 1092 CB LYS A 66 -16.411 35.539 -6.895 1.00 74.13 C ATOM 1093 CG LYS A 66 -15.027 36.105 -7.163 1.00 34.54 C ATOM 1094 CD LYS A 66 -14.933 37.565 -6.754 1.00 54.11 C ATOM 1095 CE LYS A 66 -13.667 37.841 -5.957 1.00 75.42 C ATOM 1096 NZ LYS A 66 -13.415 39.300 -5.803 1.00 55.24 N ATOM 0 H LYS A 66 -15.961 34.969 -9.248 1.00 73.45 H new ATOM 0 HA LYS A 66 -18.338 35.279 -7.814 1.00 11.42 H new ATOM 0 HB2 LYS A 66 -16.789 35.952 -5.960 1.00 74.13 H new ATOM 0 HB3 LYS A 66 -16.333 34.460 -6.758 1.00 74.13 H new ATOM 0 HG2 LYS A 66 -14.284 35.525 -6.617 1.00 34.54 H new ATOM 0 HG3 LYS A 66 -14.792 36.007 -8.223 1.00 34.54 H new ATOM 0 HD2 LYS A 66 -14.949 38.195 -7.644 1.00 54.11 H new ATOM 0 HD3 LYS A 66 -15.805 37.834 -6.158 1.00 54.11 H new ATOM 0 HE2 LYS A 66 -13.750 37.381 -4.972 1.00 75.42 H new ATOM 0 HE3 LYS A 66 -12.816 37.376 -6.455 1.00 75.42 H new ATOM 0 HZ1 LYS A 66 -12.544 39.446 -5.254 1.00 55.24 H new ATOM 0 HZ2 LYS A 66 -13.310 39.735 -6.742 1.00 55.24 H new ATOM 0 HZ3 LYS A 66 -14.215 39.740 -5.305 1.00 55.24 H new ATOM 1110 N LYS A 67 -17.032 38.057 -8.889 1.00 0.20 N ATOM 1111 CA LYS A 67 -17.245 39.494 -9.018 1.00 32.22 C ATOM 1112 C LYS A 67 -16.602 40.027 -10.294 1.00 4.12 C ATOM 1113 O LYS A 67 -17.294 40.408 -11.238 1.00 34.22 O ATOM 1114 CB LYS A 67 -16.674 40.226 -7.801 1.00 52.14 C ATOM 1115 CG LYS A 67 -17.342 41.563 -7.527 1.00 61.53 C ATOM 1116 CD LYS A 67 -16.371 42.555 -6.910 1.00 63.03 C ATOM 1117 CE LYS A 67 -17.085 43.809 -6.431 1.00 11.32 C ATOM 1118 NZ LYS A 67 -17.509 44.675 -7.566 1.00 64.22 N ATOM 0 H LYS A 67 -16.303 37.683 -9.497 1.00 0.20 H new ATOM 0 HA LYS A 67 -18.319 39.674 -9.071 1.00 32.22 H new ATOM 0 HB2 LYS A 67 -16.779 39.590 -6.922 1.00 52.14 H new ATOM 0 HB3 LYS A 67 -15.607 40.387 -7.952 1.00 52.14 H new ATOM 0 HG2 LYS A 67 -17.738 41.970 -8.457 1.00 61.53 H new ATOM 0 HG3 LYS A 67 -18.189 41.417 -6.857 1.00 61.53 H new ATOM 0 HD2 LYS A 67 -15.854 42.087 -6.072 1.00 63.03 H new ATOM 0 HD3 LYS A 67 -15.611 42.825 -7.643 1.00 63.03 H new ATOM 0 HE2 LYS A 67 -17.959 43.527 -5.843 1.00 11.32 H new ATOM 0 HE3 LYS A 67 -16.425 44.373 -5.771 1.00 11.32 H new ATOM 0 HZ1 LYS A 67 -17.992 45.519 -7.197 1.00 64.22 H new ATOM 0 HZ2 LYS A 67 -16.673 44.965 -8.112 1.00 64.22 H new ATOM 0 HZ3 LYS A 67 -18.159 44.146 -8.182 1.00 64.22 H new TER 1132 LYS A 67