USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1101 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 83 ASN :FLIP amide:sc= -0.239 F(o=-1.9,f=-1.1) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.861 K(o=-1.1,f=-4.2!) USER MOD Set 2.1: A 46 SER OG : rot 180:sc= -0.0332 USER MOD Set 2.2: A 47 HIS : no HD1:sc= 0.726 K(o=0.69,f=-2.2!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.88 K(o=-2.9,f=-6.9!) USER MOD Single : A 13 GLN : amide:sc= -2.27 K(o=-2.3,f=-6.4!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -26:sc= 0.366 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 29 SER OG : rot 180:sc= -0.207 USER MOD Single : A 30 ASN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0411 F(o=-0.71,f=-0.041) USER MOD Single : A 36 MET CE :methyl -158:sc= -0.173 (180deg=-0.739) USER MOD Single : A 37 ASN : amide:sc= -2.21! X(o=-2.2!,f=-2.7) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -169:sc= -0.603! USER MOD Single : A 58 SER OG : rot 120:sc= -0.914 USER MOD Single : A 68 THR OG1 : rot -24:sc= 0.728 USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= -0.0148 (180deg=-0.109) USER MOD Single : A 74 GLN : amide:sc= -2.24! C(o=-2.2!,f=-5.4!) USER MOD Single : A 82 ASN : amide:sc= -0.394 K(o=-0.39,f=-2.2) USER MOD Single : A 94 GLN : amide:sc= -2.24! C(o=-2.2!,f=-8.8!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00421 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 81:sc= 0.871 USER MOD Single : A 119 HIS : no HE2:sc= 0.097 K(o=0.097,f=-0.42) USER MOD Single : A 122 MET CE :methyl 160:sc= -1.57 (180deg=-2.23) USER MOD Single : A 125 HIS : no HD1:sc= -0.0301 K(o=-0.03,f=-1.4) USER MOD Single : A 128 SER OG : rot 93:sc= 0.687 USER MOD Single : A 130 ASN : amide:sc= -0.786 K(o=-0.79,f=-2.7!) USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot -76:sc= 0.349 USER MOD Single : A 143 GLN : amide:sc= 0.608 K(o=0.61,f=-0.86) USER MOD Single : A 144 GLN : amide:sc= -0.598 K(o=-0.6,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 3 4.687 -4.051 18.527 1.00 43.43 N ATOM 45 CA VAL A 3 5.637 -3.737 17.450 1.00 33.33 C ATOM 46 C VAL A 3 5.823 -4.947 16.519 1.00 33.40 C ATOM 47 O VAL A 3 5.899 -6.088 16.983 1.00 13.42 O ATOM 48 CB VAL A 3 7.012 -3.307 18.022 1.00 71.41 C ATOM 49 CG1 VAL A 3 7.998 -2.974 16.903 1.00 54.52 C ATOM 50 CG2 VAL A 3 6.850 -2.120 18.969 1.00 0.01 C ATOM 0 HA VAL A 3 5.221 -2.906 16.880 1.00 33.33 H new ATOM 0 HB VAL A 3 7.419 -4.147 18.585 1.00 71.41 H new ATOM 0 HG11 VAL A 3 8.953 -2.676 17.336 1.00 54.52 H new ATOM 0 HG12 VAL A 3 8.143 -3.852 16.273 1.00 54.52 H new ATOM 0 HG13 VAL A 3 7.602 -2.157 16.300 1.00 54.52 H new ATOM 0 HG21 VAL A 3 7.825 -1.832 19.361 1.00 0.01 H new ATOM 0 HG22 VAL A 3 6.413 -1.280 18.428 1.00 0.01 H new ATOM 0 HG23 VAL A 3 6.195 -2.400 19.794 1.00 0.01 H new ATOM 60 N TYR A 4 5.888 -4.696 15.209 1.00 54.30 N ATOM 61 CA TYR A 4 5.980 -5.775 14.215 1.00 61.13 C ATOM 62 C TYR A 4 7.329 -5.813 13.486 1.00 33.41 C ATOM 63 O TYR A 4 8.067 -4.825 13.429 1.00 53.31 O ATOM 64 CB TYR A 4 4.849 -5.646 13.189 1.00 42.01 C ATOM 65 CG TYR A 4 3.500 -6.110 13.706 1.00 31.24 C ATOM 66 CD1 TYR A 4 2.747 -5.315 14.561 1.00 43.21 C ATOM 67 CD2 TYR A 4 2.982 -7.344 13.330 1.00 21.24 C ATOM 68 CE1 TYR A 4 1.518 -5.739 15.029 1.00 65.22 C ATOM 69 CE2 TYR A 4 1.757 -7.774 13.794 1.00 32.41 C ATOM 70 CZ TYR A 4 1.026 -6.969 14.641 1.00 41.43 C ATOM 71 OH TYR A 4 -0.200 -7.393 15.101 1.00 42.31 O ATOM 0 H TYR A 4 5.879 -3.757 14.810 1.00 54.30 H new ATOM 0 HA TYR A 4 5.887 -6.710 14.767 1.00 61.13 H new ATOM 0 HB2 TYR A 4 4.770 -4.604 12.878 1.00 42.01 H new ATOM 0 HB3 TYR A 4 5.107 -6.225 12.302 1.00 42.01 H new ATOM 0 HD1 TYR A 4 3.128 -4.351 14.864 1.00 43.21 H new ATOM 0 HD2 TYR A 4 3.549 -7.977 12.663 1.00 21.24 H new ATOM 0 HE1 TYR A 4 0.945 -5.111 15.695 1.00 65.22 H new ATOM 0 HE2 TYR A 4 1.372 -8.738 13.495 1.00 32.41 H new ATOM 0 HH TYR A 4 -0.399 -8.279 14.733 1.00 42.31 H new ATOM 81 N LYS A 5 7.623 -6.978 12.913 1.00 73.11 N ATOM 82 CA LYS A 5 8.850 -7.207 12.143 1.00 4.22 C ATOM 83 C LYS A 5 8.499 -7.751 10.745 1.00 32.13 C ATOM 84 O LYS A 5 7.416 -8.303 10.556 1.00 43.32 O ATOM 85 CB LYS A 5 9.749 -8.209 12.891 1.00 4.13 C ATOM 86 CG LYS A 5 10.087 -7.802 14.326 1.00 73.21 C ATOM 87 CD LYS A 5 11.051 -6.618 14.378 1.00 33.33 C ATOM 88 CE LYS A 5 12.442 -6.996 13.880 1.00 1.11 C ATOM 89 NZ LYS A 5 13.372 -5.834 13.875 1.00 73.23 N ATOM 0 H LYS A 5 7.016 -7.796 12.968 1.00 73.11 H new ATOM 0 HA LYS A 5 9.385 -6.264 12.028 1.00 4.22 H new ATOM 0 HB2 LYS A 5 9.255 -9.180 12.908 1.00 4.13 H new ATOM 0 HB3 LYS A 5 10.677 -8.334 12.333 1.00 4.13 H new ATOM 0 HG2 LYS A 5 9.169 -7.545 14.855 1.00 73.21 H new ATOM 0 HG3 LYS A 5 10.528 -8.651 14.848 1.00 73.21 H new ATOM 0 HD2 LYS A 5 10.657 -5.802 13.772 1.00 33.33 H new ATOM 0 HD3 LYS A 5 11.119 -6.250 15.402 1.00 33.33 H new ATOM 0 HE2 LYS A 5 12.851 -7.784 14.513 1.00 1.11 H new ATOM 0 HE3 LYS A 5 12.367 -7.404 12.872 1.00 1.11 H new ATOM 0 HZ1 LYS A 5 14.305 -6.137 13.529 1.00 73.23 H new ATOM 0 HZ2 LYS A 5 12.996 -5.091 13.251 1.00 73.23 H new ATOM 0 HZ3 LYS A 5 13.466 -5.460 14.841 1.00 73.23 H new ATOM 103 N PRO A 6 9.403 -7.625 9.743 1.00 45.13 N ATOM 104 CA PRO A 6 9.118 -8.068 8.363 1.00 31.54 C ATOM 105 C PRO A 6 8.609 -9.521 8.284 1.00 51.25 C ATOM 106 O PRO A 6 7.563 -9.787 7.700 1.00 3.31 O ATOM 107 CB PRO A 6 10.471 -7.915 7.635 1.00 3.52 C ATOM 108 CG PRO A 6 11.486 -7.707 8.717 1.00 0.53 C ATOM 109 CD PRO A 6 10.756 -7.058 9.859 1.00 14.35 C ATOM 0 HA PRO A 6 8.317 -7.479 7.917 1.00 31.54 H new ATOM 0 HB2 PRO A 6 10.702 -8.802 7.045 1.00 3.52 H new ATOM 0 HB3 PRO A 6 10.453 -7.070 6.946 1.00 3.52 H new ATOM 0 HG2 PRO A 6 11.926 -8.655 9.025 1.00 0.53 H new ATOM 0 HG3 PRO A 6 12.303 -7.075 8.368 1.00 0.53 H new ATOM 0 HD2 PRO A 6 11.214 -7.296 10.819 1.00 14.35 H new ATOM 0 HD3 PRO A 6 10.749 -5.972 9.770 1.00 14.35 H new ATOM 117 N GLU A 7 9.340 -10.458 8.890 1.00 32.42 N ATOM 118 CA GLU A 7 8.930 -11.873 8.877 1.00 34.21 C ATOM 119 C GLU A 7 7.885 -12.174 9.968 1.00 33.45 C ATOM 120 O GLU A 7 7.458 -13.319 10.135 1.00 65.51 O ATOM 121 CB GLU A 7 10.145 -12.812 9.021 1.00 53.23 C ATOM 122 CG GLU A 7 10.989 -12.597 10.280 1.00 11.23 C ATOM 123 CD GLU A 7 11.918 -11.396 10.182 1.00 30.50 C ATOM 124 OE1 GLU A 7 12.981 -11.513 9.532 1.00 32.14 O ATOM 125 OE2 GLU A 7 11.592 -10.334 10.750 1.00 72.13 O ATOM 0 H GLU A 7 10.209 -10.272 9.391 1.00 32.42 H new ATOM 0 HA GLU A 7 8.467 -12.060 7.908 1.00 34.21 H new ATOM 0 HB2 GLU A 7 9.790 -13.843 9.012 1.00 53.23 H new ATOM 0 HB3 GLU A 7 10.786 -12.688 8.148 1.00 53.23 H new ATOM 0 HG2 GLU A 7 10.326 -12.467 11.136 1.00 11.23 H new ATOM 0 HG3 GLU A 7 11.582 -13.492 10.469 1.00 11.23 H new ATOM 132 N ASP A 8 7.476 -11.141 10.705 1.00 34.44 N ATOM 133 CA ASP A 8 6.409 -11.269 11.705 1.00 11.02 C ATOM 134 C ASP A 8 5.048 -10.892 11.086 1.00 63.15 C ATOM 135 O ASP A 8 3.988 -11.154 11.661 1.00 12.00 O ATOM 136 CB ASP A 8 6.723 -10.377 12.916 1.00 43.11 C ATOM 137 CG ASP A 8 5.827 -10.665 14.110 1.00 33.33 C ATOM 138 OD1 ASP A 8 6.007 -11.726 14.747 1.00 23.41 O ATOM 139 OD2 ASP A 8 4.942 -9.841 14.420 1.00 21.40 O ATOM 0 H ASP A 8 7.867 -10.202 10.630 1.00 34.44 H new ATOM 0 HA ASP A 8 6.354 -12.305 12.039 1.00 11.02 H new ATOM 0 HB2 ASP A 8 7.764 -10.520 13.206 1.00 43.11 H new ATOM 0 HB3 ASP A 8 6.613 -9.331 12.629 1.00 43.11 H new ATOM 144 N VAL A 9 5.096 -10.274 9.909 1.00 41.41 N ATOM 145 CA VAL A 9 3.892 -9.915 9.157 1.00 53.32 C ATOM 146 C VAL A 9 3.373 -11.118 8.344 1.00 31.44 C ATOM 147 O VAL A 9 4.155 -11.806 7.686 1.00 41.13 O ATOM 148 CB VAL A 9 4.182 -8.732 8.192 1.00 35.43 C ATOM 149 CG1 VAL A 9 2.940 -8.349 7.386 1.00 1.24 C ATOM 150 CG2 VAL A 9 4.719 -7.528 8.965 1.00 32.33 C ATOM 0 H VAL A 9 5.966 -10.008 9.449 1.00 41.41 H new ATOM 0 HA VAL A 9 3.130 -9.616 9.876 1.00 53.32 H new ATOM 0 HB VAL A 9 4.945 -9.058 7.485 1.00 35.43 H new ATOM 0 HG11 VAL A 9 3.179 -7.519 6.722 1.00 1.24 H new ATOM 0 HG12 VAL A 9 2.612 -9.204 6.795 1.00 1.24 H new ATOM 0 HG13 VAL A 9 2.142 -8.051 8.066 1.00 1.24 H new ATOM 0 HG21 VAL A 9 4.916 -6.710 8.273 1.00 32.33 H new ATOM 0 HG22 VAL A 9 3.981 -7.210 9.702 1.00 32.33 H new ATOM 0 HG23 VAL A 9 5.643 -7.804 9.473 1.00 32.33 H new ATOM 160 N PRO A 10 2.052 -11.400 8.388 1.00 13.14 N ATOM 161 CA PRO A 10 1.453 -12.493 7.600 1.00 21.10 C ATOM 162 C PRO A 10 1.803 -12.398 6.103 1.00 15.45 C ATOM 163 O PRO A 10 1.356 -11.486 5.406 1.00 33.10 O ATOM 164 CB PRO A 10 -0.055 -12.305 7.823 1.00 23.51 C ATOM 165 CG PRO A 10 -0.152 -11.608 9.138 1.00 13.44 C ATOM 166 CD PRO A 10 1.044 -10.695 9.205 1.00 23.14 C ATOM 0 HA PRO A 10 1.821 -13.471 7.909 1.00 21.10 H new ATOM 0 HB2 PRO A 10 -0.504 -11.713 7.025 1.00 23.51 H new ATOM 0 HB3 PRO A 10 -0.576 -13.262 7.841 1.00 23.51 H new ATOM 0 HG2 PRO A 10 -1.081 -11.043 9.214 1.00 13.44 H new ATOM 0 HG3 PRO A 10 -0.146 -12.322 9.961 1.00 13.44 H new ATOM 0 HD2 PRO A 10 0.819 -9.707 8.803 1.00 23.14 H new ATOM 0 HD3 PRO A 10 1.385 -10.552 10.230 1.00 23.14 H new ATOM 174 N ASN A 11 2.615 -13.336 5.621 1.00 1.32 N ATOM 175 CA ASN A 11 3.073 -13.329 4.228 1.00 25.32 C ATOM 176 C ASN A 11 1.933 -13.625 3.235 1.00 74.43 C ATOM 177 O ASN A 11 1.801 -14.737 2.713 1.00 50.42 O ATOM 178 CB ASN A 11 4.251 -14.305 4.050 1.00 62.15 C ATOM 179 CG ASN A 11 3.969 -15.705 4.578 1.00 22.22 C ATOM 180 OD1 ASN A 11 3.149 -15.899 5.469 1.00 11.02 O ATOM 181 ND2 ASN A 11 4.667 -16.690 4.053 1.00 70.53 N ATOM 0 H ASN A 11 2.972 -14.115 6.175 1.00 1.32 H new ATOM 0 HA ASN A 11 3.421 -12.322 3.998 1.00 25.32 H new ATOM 0 HB2 ASN A 11 4.502 -14.369 2.991 1.00 62.15 H new ATOM 0 HB3 ASN A 11 5.126 -13.903 4.561 1.00 62.15 H new ATOM 0 HD21 ASN A 11 4.533 -17.645 4.386 1.00 70.53 H new ATOM 0 HD22 ASN A 11 5.342 -16.499 3.313 1.00 70.53 H new ATOM 188 N VAL A 12 1.120 -12.603 2.966 1.00 61.50 N ATOM 189 CA VAL A 12 -0.049 -12.740 2.085 1.00 5.21 C ATOM 190 C VAL A 12 0.321 -12.738 0.590 1.00 43.24 C ATOM 191 O VAL A 12 -0.550 -12.640 -0.269 1.00 63.31 O ATOM 192 CB VAL A 12 -1.091 -11.628 2.355 1.00 71.25 C ATOM 193 CG1 VAL A 12 -1.686 -11.781 3.754 1.00 72.01 C ATOM 194 CG2 VAL A 12 -0.469 -10.242 2.172 1.00 0.50 C ATOM 0 H VAL A 12 1.247 -11.665 3.346 1.00 61.50 H new ATOM 0 HA VAL A 12 -0.482 -13.712 2.321 1.00 5.21 H new ATOM 0 HB VAL A 12 -1.898 -11.730 1.629 1.00 71.25 H new ATOM 0 HG11 VAL A 12 -2.417 -10.991 3.927 1.00 72.01 H new ATOM 0 HG12 VAL A 12 -2.175 -12.752 3.837 1.00 72.01 H new ATOM 0 HG13 VAL A 12 -0.892 -11.710 4.497 1.00 72.01 H new ATOM 0 HG21 VAL A 12 -1.221 -9.477 2.367 1.00 0.50 H new ATOM 0 HG22 VAL A 12 0.361 -10.121 2.868 1.00 0.50 H new ATOM 0 HG23 VAL A 12 -0.104 -10.139 1.150 1.00 0.50 H new ATOM 204 N GLN A 13 1.612 -12.830 0.286 1.00 35.13 N ATOM 205 CA GLN A 13 2.073 -13.030 -1.098 1.00 43.32 C ATOM 206 C GLN A 13 2.900 -14.320 -1.209 1.00 22.24 C ATOM 207 O GLN A 13 3.652 -14.524 -2.164 1.00 21.43 O ATOM 208 CB GLN A 13 2.888 -11.820 -1.573 1.00 31.40 C ATOM 209 CG GLN A 13 2.077 -10.530 -1.658 1.00 24.20 C ATOM 210 CD GLN A 13 0.921 -10.602 -2.644 1.00 40.03 C ATOM 211 OE1 GLN A 13 -0.104 -9.965 -2.455 1.00 23.45 O ATOM 212 NE2 GLN A 13 1.081 -11.360 -3.714 1.00 70.24 N ATOM 0 H GLN A 13 2.363 -12.770 0.974 1.00 35.13 H new ATOM 0 HA GLN A 13 1.199 -13.128 -1.743 1.00 43.32 H new ATOM 0 HB2 GLN A 13 3.726 -11.668 -0.893 1.00 31.40 H new ATOM 0 HB3 GLN A 13 3.309 -12.039 -2.554 1.00 31.40 H new ATOM 0 HG2 GLN A 13 1.686 -10.291 -0.669 1.00 24.20 H new ATOM 0 HG3 GLN A 13 2.739 -9.713 -1.946 1.00 24.20 H new ATOM 0 HE21 GLN A 13 1.948 -11.881 -3.845 1.00 70.24 H new ATOM 0 HE22 GLN A 13 0.337 -11.425 -4.409 1.00 70.24 H new ATOM 221 N LEU A 14 2.742 -15.186 -0.216 1.00 54.41 N ATOM 222 CA LEU A 14 3.402 -16.492 -0.192 1.00 61.14 C ATOM 223 C LEU A 14 2.383 -17.565 0.221 1.00 63.05 C ATOM 224 O LEU A 14 2.300 -18.631 -0.390 1.00 14.24 O ATOM 225 CB LEU A 14 4.607 -16.449 0.772 1.00 53.45 C ATOM 226 CG LEU A 14 5.595 -17.634 0.696 1.00 32.33 C ATOM 227 CD1 LEU A 14 6.926 -17.264 1.347 1.00 55.10 C ATOM 228 CD2 LEU A 14 5.023 -18.888 1.360 1.00 32.02 C ATOM 0 H LEU A 14 2.153 -15.006 0.597 1.00 54.41 H new ATOM 0 HA LEU A 14 3.779 -16.743 -1.183 1.00 61.14 H new ATOM 0 HB2 LEU A 14 5.162 -15.530 0.583 1.00 53.45 H new ATOM 0 HB3 LEU A 14 4.226 -16.388 1.791 1.00 53.45 H new ATOM 0 HG LEU A 14 5.760 -17.854 -0.359 1.00 32.33 H new ATOM 0 HD11 LEU A 14 7.610 -18.111 1.284 1.00 55.10 H new ATOM 0 HD12 LEU A 14 7.359 -16.409 0.829 1.00 55.10 H new ATOM 0 HD13 LEU A 14 6.760 -17.008 2.394 1.00 55.10 H new ATOM 0 HD21 LEU A 14 5.746 -19.700 1.287 1.00 32.02 H new ATOM 0 HD22 LEU A 14 4.815 -18.681 2.410 1.00 32.02 H new ATOM 0 HD23 LEU A 14 4.100 -19.177 0.857 1.00 32.02 H new ATOM 240 N ALA A 15 1.604 -17.262 1.260 1.00 32.42 N ATOM 241 CA ALA A 15 0.515 -18.142 1.702 1.00 72.32 C ATOM 242 C ALA A 15 -0.848 -17.639 1.194 1.00 53.12 C ATOM 243 O ALA A 15 -1.416 -18.193 0.254 1.00 42.04 O ATOM 244 CB ALA A 15 0.510 -18.257 3.223 1.00 41.43 C ATOM 0 H ALA A 15 1.705 -16.412 1.814 1.00 32.42 H new ATOM 0 HA ALA A 15 0.686 -19.131 1.277 1.00 72.32 H new ATOM 0 HB1 ALA A 15 -0.303 -18.913 3.536 1.00 41.43 H new ATOM 0 HB2 ALA A 15 1.460 -18.671 3.560 1.00 41.43 H new ATOM 0 HB3 ALA A 15 0.369 -17.269 3.662 1.00 41.43 H new ATOM 250 N ASP A 16 -1.362 -16.576 1.814 1.00 23.41 N ATOM 251 CA ASP A 16 -2.659 -15.996 1.434 1.00 24.12 C ATOM 252 C ASP A 16 -2.543 -15.048 0.224 1.00 34.13 C ATOM 253 O ASP A 16 -2.979 -13.894 0.279 1.00 51.35 O ATOM 254 CB ASP A 16 -3.249 -15.245 2.630 1.00 55.12 C ATOM 255 CG ASP A 16 -3.523 -16.162 3.805 1.00 34.22 C ATOM 256 OD1 ASP A 16 -2.579 -16.468 4.561 1.00 20.42 O ATOM 257 OD2 ASP A 16 -4.689 -16.584 3.974 1.00 42.22 O ATOM 0 H ASP A 16 -0.900 -16.094 2.586 1.00 23.41 H new ATOM 0 HA ASP A 16 -3.317 -16.814 1.141 1.00 24.12 H new ATOM 0 HB2 ASP A 16 -2.560 -14.459 2.938 1.00 55.12 H new ATOM 0 HB3 ASP A 16 -4.176 -14.757 2.329 1.00 55.12 H new ATOM 262 N SER A 17 -1.993 -15.550 -0.879 1.00 43.14 N ATOM 263 CA SER A 17 -1.791 -14.741 -2.098 1.00 60.03 C ATOM 264 C SER A 17 -3.124 -14.343 -2.762 1.00 61.43 C ATOM 265 O SER A 17 -3.140 -13.548 -3.698 1.00 2.24 O ATOM 266 CB SER A 17 -0.919 -15.506 -3.105 1.00 31.21 C ATOM 267 OG SER A 17 0.363 -15.797 -2.567 1.00 74.24 O ATOM 0 H SER A 17 -1.675 -16.516 -0.962 1.00 43.14 H new ATOM 0 HA SER A 17 -1.286 -13.824 -1.794 1.00 60.03 H new ATOM 0 HB2 SER A 17 -1.416 -16.434 -3.387 1.00 31.21 H new ATOM 0 HB3 SER A 17 -0.808 -14.915 -4.014 1.00 31.21 H new ATOM 0 HG SER A 17 0.893 -16.285 -3.231 1.00 74.24 H new ATOM 273 N THR A 18 -4.236 -14.917 -2.295 1.00 4.35 N ATOM 274 CA THR A 18 -5.581 -14.536 -2.777 1.00 20.03 C ATOM 275 C THR A 18 -6.146 -13.340 -1.987 1.00 53.13 C ATOM 276 O THR A 18 -7.172 -12.757 -2.352 1.00 63.50 O ATOM 277 CB THR A 18 -6.581 -15.720 -2.682 1.00 72.51 C ATOM 278 OG1 THR A 18 -7.876 -15.325 -3.168 1.00 13.32 O ATOM 279 CG2 THR A 18 -6.709 -16.223 -1.245 1.00 14.13 C ATOM 0 H THR A 18 -4.239 -15.648 -1.584 1.00 4.35 H new ATOM 0 HA THR A 18 -5.463 -14.252 -3.823 1.00 20.03 H new ATOM 0 HB THR A 18 -6.193 -16.529 -3.301 1.00 72.51 H new ATOM 0 HG1 THR A 18 -7.986 -14.357 -3.058 1.00 13.32 H new ATOM 0 HG21 THR A 18 -7.416 -17.052 -1.211 1.00 14.13 H new ATOM 0 HG22 THR A 18 -5.736 -16.562 -0.890 1.00 14.13 H new ATOM 0 HG23 THR A 18 -7.067 -15.415 -0.607 1.00 14.13 H new ATOM 287 N ARG A 19 -5.459 -12.979 -0.903 1.00 1.45 N ATOM 288 CA ARG A 19 -5.867 -11.863 -0.041 1.00 2.20 C ATOM 289 C ARG A 19 -5.156 -10.560 -0.450 1.00 44.32 C ATOM 290 O ARG A 19 -5.795 -9.582 -0.822 1.00 2.42 O ATOM 291 CB ARG A 19 -5.534 -12.202 1.420 1.00 22.44 C ATOM 292 CG ARG A 19 -6.036 -11.185 2.443 1.00 32.34 C ATOM 293 CD ARG A 19 -7.556 -11.198 2.572 1.00 65.23 C ATOM 294 NE ARG A 19 -8.017 -10.371 3.690 1.00 11.25 N ATOM 295 CZ ARG A 19 -8.709 -10.821 4.703 1.00 30.24 C ATOM 296 NH1 ARG A 19 -9.033 -12.074 4.792 1.00 5.41 N ATOM 297 NH2 ARG A 19 -9.070 -10.014 5.641 1.00 63.20 N ATOM 0 H ARG A 19 -4.607 -13.448 -0.596 1.00 1.45 H new ATOM 0 HA ARG A 19 -6.941 -11.712 -0.151 1.00 2.20 H new ATOM 0 HB2 ARG A 19 -5.960 -13.177 1.658 1.00 22.44 H new ATOM 0 HB3 ARG A 19 -4.452 -12.293 1.520 1.00 22.44 H new ATOM 0 HG2 ARG A 19 -5.589 -11.398 3.414 1.00 32.34 H new ATOM 0 HG3 ARG A 19 -5.706 -10.187 2.153 1.00 32.34 H new ATOM 0 HD2 ARG A 19 -8.002 -10.837 1.645 1.00 65.23 H new ATOM 0 HD3 ARG A 19 -7.900 -12.223 2.713 1.00 65.23 H new ATOM 0 HE ARG A 19 -7.782 -9.378 3.677 1.00 11.25 H new ATOM 0 HH11 ARG A 19 -8.747 -12.728 4.063 1.00 5.41 H new ATOM 0 HH12 ARG A 19 -9.574 -12.405 5.591 1.00 5.41 H new ATOM 0 HH21 ARG A 19 -8.815 -9.028 5.591 1.00 63.20 H new ATOM 0 HH22 ARG A 19 -9.610 -10.362 6.433 1.00 63.20 H new ATOM 311 N LEU A 20 -3.822 -10.570 -0.344 1.00 33.22 N ATOM 312 CA LEU A 20 -2.954 -9.427 -0.711 1.00 20.42 C ATOM 313 C LEU A 20 -3.021 -8.296 0.334 1.00 70.51 C ATOM 314 O LEU A 20 -2.174 -7.405 0.355 1.00 62.43 O ATOM 315 CB LEU A 20 -3.275 -8.865 -2.116 1.00 33.24 C ATOM 316 CG LEU A 20 -3.027 -9.817 -3.309 1.00 43.54 C ATOM 317 CD1 LEU A 20 -4.256 -10.676 -3.605 1.00 1.24 C ATOM 318 CD2 LEU A 20 -2.601 -9.035 -4.550 1.00 22.23 C ATOM 0 H LEU A 20 -3.302 -11.377 0.002 1.00 33.22 H new ATOM 0 HA LEU A 20 -1.938 -9.822 -0.732 1.00 20.42 H new ATOM 0 HB2 LEU A 20 -4.322 -8.562 -2.132 1.00 33.24 H new ATOM 0 HB3 LEU A 20 -2.680 -7.964 -2.268 1.00 33.24 H new ATOM 0 HG LEU A 20 -2.214 -10.488 -3.031 1.00 43.54 H new ATOM 0 HD11 LEU A 20 -4.046 -11.333 -4.449 1.00 1.24 H new ATOM 0 HD12 LEU A 20 -4.499 -11.277 -2.729 1.00 1.24 H new ATOM 0 HD13 LEU A 20 -5.101 -10.031 -3.848 1.00 1.24 H new ATOM 0 HD21 LEU A 20 -2.432 -9.726 -5.376 1.00 22.23 H new ATOM 0 HD22 LEU A 20 -3.386 -8.329 -4.822 1.00 22.23 H new ATOM 0 HD23 LEU A 20 -1.681 -8.491 -4.339 1.00 22.23 H new ATOM 330 N VAL A 21 -4.022 -8.349 1.204 1.00 40.32 N ATOM 331 CA VAL A 21 -4.236 -7.322 2.227 1.00 61.30 C ATOM 332 C VAL A 21 -3.974 -7.878 3.640 1.00 21.30 C ATOM 333 O VAL A 21 -4.220 -9.058 3.909 1.00 11.41 O ATOM 334 CB VAL A 21 -5.685 -6.793 2.151 1.00 65.52 C ATOM 335 CG1 VAL A 21 -5.910 -5.654 3.144 1.00 40.33 C ATOM 336 CG2 VAL A 21 -6.021 -6.341 0.733 1.00 11.03 C ATOM 0 H VAL A 21 -4.710 -9.102 1.224 1.00 40.32 H new ATOM 0 HA VAL A 21 -3.534 -6.510 2.036 1.00 61.30 H new ATOM 0 HB VAL A 21 -6.353 -7.611 2.420 1.00 65.52 H new ATOM 0 HG11 VAL A 21 -6.939 -5.302 3.067 1.00 40.33 H new ATOM 0 HG12 VAL A 21 -5.723 -6.012 4.157 1.00 40.33 H new ATOM 0 HG13 VAL A 21 -5.228 -4.834 2.918 1.00 40.33 H new ATOM 0 HG21 VAL A 21 -7.046 -5.972 0.702 1.00 11.03 H new ATOM 0 HG22 VAL A 21 -5.340 -5.545 0.434 1.00 11.03 H new ATOM 0 HG23 VAL A 21 -5.918 -7.183 0.049 1.00 11.03 H new ATOM 346 N THR A 22 -3.471 -7.037 4.543 1.00 45.31 N ATOM 347 CA THR A 22 -3.187 -7.465 5.925 1.00 33.21 C ATOM 348 C THR A 22 -3.322 -6.307 6.926 1.00 33.43 C ATOM 349 O THR A 22 -2.432 -5.463 7.033 1.00 23.52 O ATOM 350 CB THR A 22 -1.759 -8.059 6.053 1.00 3.21 C ATOM 351 OG1 THR A 22 -1.563 -9.103 5.092 1.00 53.12 O ATOM 352 CG2 THR A 22 -1.518 -8.619 7.451 1.00 75.34 C ATOM 0 H THR A 22 -3.251 -6.060 4.351 1.00 45.31 H new ATOM 0 HA THR A 22 -3.927 -8.230 6.160 1.00 33.21 H new ATOM 0 HB THR A 22 -1.051 -7.251 5.868 1.00 3.21 H new ATOM 0 HG1 THR A 22 -0.658 -9.467 5.184 1.00 53.12 H new ATOM 0 HG21 THR A 22 -0.509 -9.028 7.510 1.00 75.34 H new ATOM 0 HG22 THR A 22 -1.630 -7.822 8.186 1.00 75.34 H new ATOM 0 HG23 THR A 22 -2.242 -9.407 7.657 1.00 75.34 H new ATOM 360 N ASP A 23 -4.431 -6.272 7.664 1.00 1.11 N ATOM 361 CA ASP A 23 -4.631 -5.263 8.710 1.00 34.31 C ATOM 362 C ASP A 23 -4.184 -5.784 10.088 1.00 24.01 C ATOM 363 O ASP A 23 -4.834 -6.647 10.679 1.00 74.40 O ATOM 364 CB ASP A 23 -6.101 -4.827 8.765 1.00 2.44 C ATOM 365 CG ASP A 23 -6.363 -3.817 9.870 1.00 62.45 C ATOM 366 OD1 ASP A 23 -5.903 -2.661 9.749 1.00 74.03 O ATOM 367 OD2 ASP A 23 -7.015 -4.175 10.871 1.00 63.43 O ATOM 0 H ASP A 23 -5.205 -6.928 7.559 1.00 1.11 H new ATOM 0 HA ASP A 23 -4.014 -4.401 8.457 1.00 34.31 H new ATOM 0 HB2 ASP A 23 -6.385 -4.394 7.806 1.00 2.44 H new ATOM 0 HB3 ASP A 23 -6.732 -5.703 8.919 1.00 2.44 H new ATOM 372 N GLU A 24 -3.065 -5.259 10.586 1.00 50.55 N ATOM 373 CA GLU A 24 -2.557 -5.610 11.921 1.00 22.12 C ATOM 374 C GLU A 24 -2.623 -4.401 12.869 1.00 65.55 C ATOM 375 O GLU A 24 -2.782 -4.555 14.082 1.00 71.14 O ATOM 376 CB GLU A 24 -1.115 -6.131 11.820 1.00 40.14 C ATOM 377 CG GLU A 24 -0.982 -7.470 11.086 1.00 71.44 C ATOM 378 CD GLU A 24 -1.466 -8.661 11.908 1.00 13.24 C ATOM 379 OE1 GLU A 24 -2.692 -8.794 12.121 1.00 54.33 O ATOM 380 OE2 GLU A 24 -0.623 -9.476 12.344 1.00 24.23 O ATOM 0 H GLU A 24 -2.487 -4.585 10.085 1.00 50.55 H new ATOM 0 HA GLU A 24 -3.189 -6.398 12.331 1.00 22.12 H new ATOM 0 HB2 GLU A 24 -0.506 -5.386 11.307 1.00 40.14 H new ATOM 0 HB3 GLU A 24 -0.708 -6.238 12.825 1.00 40.14 H new ATOM 0 HG2 GLU A 24 -1.550 -7.425 10.157 1.00 71.44 H new ATOM 0 HG3 GLU A 24 0.062 -7.625 10.815 1.00 71.44 H new ATOM 387 N ALA A 25 -2.486 -3.197 12.307 1.00 55.51 N ATOM 388 CA ALA A 25 -2.628 -1.952 13.078 1.00 54.03 C ATOM 389 C ALA A 25 -4.041 -1.783 13.670 1.00 12.32 C ATOM 390 O ALA A 25 -4.225 -1.063 14.656 1.00 61.13 O ATOM 391 CB ALA A 25 -2.282 -0.748 12.204 1.00 64.42 C ATOM 0 H ALA A 25 -2.276 -3.055 11.319 1.00 55.51 H new ATOM 0 HA ALA A 25 -1.931 -2.013 13.914 1.00 54.03 H new ATOM 0 HB1 ALA A 25 -2.391 0.167 12.786 1.00 64.42 H new ATOM 0 HB2 ALA A 25 -1.253 -0.836 11.855 1.00 64.42 H new ATOM 0 HB3 ALA A 25 -2.955 -0.715 11.347 1.00 64.42 H new ATOM 397 N GLY A 26 -5.032 -2.444 13.070 1.00 42.35 N ATOM 398 CA GLY A 26 -6.410 -2.331 13.544 1.00 31.00 C ATOM 399 C GLY A 26 -7.116 -1.085 13.014 1.00 60.22 C ATOM 400 O GLY A 26 -7.793 -0.373 13.762 1.00 34.22 O ATOM 0 H GLY A 26 -4.908 -3.056 12.264 1.00 42.35 H new ATOM 0 HA2 GLY A 26 -6.968 -3.217 13.240 1.00 31.00 H new ATOM 0 HA3 GLY A 26 -6.414 -2.310 14.634 1.00 31.00 H new ATOM 404 N LEU A 27 -6.962 -0.831 11.717 1.00 4.30 N ATOM 405 CA LEU A 27 -7.495 0.379 11.076 1.00 62.15 C ATOM 406 C LEU A 27 -8.512 0.048 9.969 1.00 52.53 C ATOM 407 O LEU A 27 -9.456 0.805 9.733 1.00 33.33 O ATOM 408 CB LEU A 27 -6.336 1.201 10.491 1.00 45.43 C ATOM 409 CG LEU A 27 -5.300 1.686 11.518 1.00 23.23 C ATOM 410 CD1 LEU A 27 -4.103 2.318 10.816 1.00 60.11 C ATOM 411 CD2 LEU A 27 -5.937 2.670 12.498 1.00 4.31 C ATOM 0 H LEU A 27 -6.467 -1.453 11.078 1.00 4.30 H new ATOM 0 HA LEU A 27 -8.019 0.957 11.838 1.00 62.15 H new ATOM 0 HB2 LEU A 27 -5.826 0.598 9.740 1.00 45.43 H new ATOM 0 HB3 LEU A 27 -6.749 2.069 9.977 1.00 45.43 H new ATOM 0 HG LEU A 27 -4.945 0.824 12.083 1.00 23.23 H new ATOM 0 HD11 LEU A 27 -3.381 2.655 11.560 1.00 60.11 H new ATOM 0 HD12 LEU A 27 -3.634 1.582 10.163 1.00 60.11 H new ATOM 0 HD13 LEU A 27 -4.437 3.169 10.223 1.00 60.11 H new ATOM 0 HD21 LEU A 27 -5.189 3.003 13.218 1.00 4.31 H new ATOM 0 HD22 LEU A 27 -6.322 3.531 11.951 1.00 4.31 H new ATOM 0 HD23 LEU A 27 -6.755 2.180 13.026 1.00 4.31 H new ATOM 423 N LEU A 28 -8.307 -1.076 9.286 1.00 20.41 N ATOM 424 CA LEU A 28 -9.189 -1.497 8.191 1.00 10.14 C ATOM 425 C LEU A 28 -10.314 -2.416 8.693 1.00 71.32 C ATOM 426 O LEU A 28 -10.076 -3.365 9.444 1.00 73.31 O ATOM 427 CB LEU A 28 -8.381 -2.216 7.099 1.00 74.12 C ATOM 428 CG LEU A 28 -7.290 -1.370 6.421 1.00 11.01 C ATOM 429 CD1 LEU A 28 -6.538 -2.193 5.376 1.00 1.13 C ATOM 430 CD2 LEU A 28 -7.894 -0.116 5.789 1.00 12.54 C ATOM 0 H LEU A 28 -7.535 -1.717 9.470 1.00 20.41 H new ATOM 0 HA LEU A 28 -9.644 -0.599 7.773 1.00 10.14 H new ATOM 0 HB2 LEU A 28 -7.913 -3.097 7.538 1.00 74.12 H new ATOM 0 HB3 LEU A 28 -9.071 -2.569 6.333 1.00 74.12 H new ATOM 0 HG LEU A 28 -6.578 -1.058 7.185 1.00 11.01 H new ATOM 0 HD11 LEU A 28 -5.771 -1.575 4.909 1.00 1.13 H new ATOM 0 HD12 LEU A 28 -6.069 -3.051 5.857 1.00 1.13 H new ATOM 0 HD13 LEU A 28 -7.237 -2.541 4.615 1.00 1.13 H new ATOM 0 HD21 LEU A 28 -7.105 0.468 5.315 1.00 12.54 H new ATOM 0 HD22 LEU A 28 -8.632 -0.405 5.040 1.00 12.54 H new ATOM 0 HD23 LEU A 28 -8.376 0.484 6.561 1.00 12.54 H new ATOM 442 N SER A 29 -11.543 -2.124 8.271 1.00 34.25 N ATOM 443 CA SER A 29 -12.705 -2.953 8.625 1.00 43.40 C ATOM 444 C SER A 29 -12.887 -4.110 7.631 1.00 50.13 C ATOM 445 O SER A 29 -12.221 -4.159 6.596 1.00 11.12 O ATOM 446 CB SER A 29 -13.980 -2.101 8.660 1.00 74.44 C ATOM 447 OG SER A 29 -15.103 -2.880 9.045 1.00 33.01 O ATOM 0 H SER A 29 -11.765 -1.320 7.683 1.00 34.25 H new ATOM 0 HA SER A 29 -12.522 -3.372 9.615 1.00 43.40 H new ATOM 0 HB2 SER A 29 -13.850 -1.274 9.358 1.00 74.44 H new ATOM 0 HB3 SER A 29 -14.156 -1.663 7.677 1.00 74.44 H new ATOM 0 HG SER A 29 -15.903 -2.314 9.062 1.00 33.01 H new ATOM 453 N ASN A 30 -13.811 -5.024 7.935 1.00 64.11 N ATOM 454 CA ASN A 30 -14.041 -6.208 7.090 1.00 4.13 C ATOM 455 C ASN A 30 -14.380 -5.821 5.639 1.00 24.42 C ATOM 456 O ASN A 30 -13.908 -6.453 4.693 1.00 60.10 O ATOM 457 CB ASN A 30 -15.154 -7.079 7.685 1.00 70.34 C ATOM 458 CG ASN A 30 -14.766 -7.663 9.034 1.00 60.22 C ATOM 459 OD1 ASN A 30 -14.177 -8.736 9.112 1.00 62.41 O ATOM 460 ND2 ASN A 30 -15.093 -6.970 10.105 1.00 62.25 N ATOM 0 H ASN A 30 -14.413 -4.971 8.757 1.00 64.11 H new ATOM 0 HA ASN A 30 -13.114 -6.780 7.067 1.00 4.13 H new ATOM 0 HB2 ASN A 30 -16.060 -6.483 7.796 1.00 70.34 H new ATOM 0 HB3 ASN A 30 -15.388 -7.889 6.994 1.00 70.34 H new ATOM 0 HD21 ASN A 30 -14.856 -7.323 11.032 1.00 62.25 H new ATOM 0 HD22 ASN A 30 -15.583 -6.081 10.007 1.00 62.25 H new ATOM 467 N ALA A 31 -15.194 -4.780 5.467 1.00 72.14 N ATOM 468 CA ALA A 31 -15.497 -4.255 4.129 1.00 72.32 C ATOM 469 C ALA A 31 -14.240 -3.692 3.455 1.00 53.25 C ATOM 470 O ALA A 31 -13.956 -4.000 2.302 1.00 61.14 O ATOM 471 CB ALA A 31 -16.577 -3.182 4.206 1.00 24.40 C ATOM 0 H ALA A 31 -15.655 -4.284 6.230 1.00 72.14 H new ATOM 0 HA ALA A 31 -15.865 -5.083 3.523 1.00 72.32 H new ATOM 0 HB1 ALA A 31 -16.788 -2.805 3.205 1.00 24.40 H new ATOM 0 HB2 ALA A 31 -17.485 -3.610 4.631 1.00 24.40 H new ATOM 0 HB3 ALA A 31 -16.232 -2.363 4.837 1.00 24.40 H new ATOM 477 N GLN A 32 -13.480 -2.879 4.191 1.00 25.00 N ATOM 478 CA GLN A 32 -12.244 -2.286 3.660 1.00 73.22 C ATOM 479 C GLN A 32 -11.279 -3.372 3.156 1.00 14.51 C ATOM 480 O GLN A 32 -10.656 -3.221 2.103 1.00 72.13 O ATOM 481 CB GLN A 32 -11.560 -1.419 4.732 1.00 74.34 C ATOM 482 CG GLN A 32 -12.430 -0.277 5.249 1.00 13.30 C ATOM 483 CD GLN A 32 -12.812 0.727 4.171 1.00 43.35 C ATOM 484 OE1 GLN A 32 -11.931 0.957 3.215 1.00 21.52 O flip ATOM 485 NE2 GLN A 32 -13.889 1.308 4.204 1.00 3.02 N flip ATOM 0 H GLN A 32 -13.694 -2.615 5.153 1.00 25.00 H new ATOM 0 HA GLN A 32 -12.512 -1.653 2.814 1.00 73.22 H new ATOM 0 HB2 GLN A 32 -11.274 -2.054 5.571 1.00 74.34 H new ATOM 0 HB3 GLN A 32 -10.641 -1.004 4.318 1.00 74.34 H new ATOM 0 HG2 GLN A 32 -13.338 -0.691 5.687 1.00 13.30 H new ATOM 0 HG3 GLN A 32 -11.899 0.242 6.047 1.00 13.30 H new ATOM 0 HE21 GLN A 32 -14.552 1.111 4.954 1.00 3.02 H new ATOM 0 HE22 GLN A 32 -14.124 1.989 3.481 1.00 3.02 H new ATOM 494 N GLU A 33 -11.174 -4.466 3.913 1.00 4.12 N ATOM 495 CA GLU A 33 -10.378 -5.628 3.501 1.00 75.50 C ATOM 496 C GLU A 33 -10.889 -6.220 2.177 1.00 41.53 C ATOM 497 O GLU A 33 -10.151 -6.318 1.197 1.00 13.23 O ATOM 498 CB GLU A 33 -10.440 -6.717 4.590 1.00 52.42 C ATOM 499 CG GLU A 33 -9.642 -6.404 5.853 1.00 21.41 C ATOM 500 CD GLU A 33 -8.143 -6.586 5.667 1.00 25.21 C ATOM 501 OE1 GLU A 33 -7.725 -7.695 5.252 1.00 64.35 O ATOM 502 OE2 GLU A 33 -7.385 -5.643 5.949 1.00 65.13 O ATOM 0 H GLU A 33 -11.631 -4.573 4.818 1.00 4.12 H new ATOM 0 HA GLU A 33 -9.351 -5.292 3.359 1.00 75.50 H new ATOM 0 HB2 GLU A 33 -11.482 -6.877 4.866 1.00 52.42 H new ATOM 0 HB3 GLU A 33 -10.075 -7.654 4.169 1.00 52.42 H new ATOM 0 HG2 GLU A 33 -9.843 -5.377 6.158 1.00 21.41 H new ATOM 0 HG3 GLU A 33 -9.984 -7.050 6.662 1.00 21.41 H new ATOM 509 N GLU A 34 -12.176 -6.575 2.148 1.00 60.33 N ATOM 510 CA GLU A 34 -12.753 -7.317 1.017 1.00 42.53 C ATOM 511 C GLU A 34 -12.840 -6.465 -0.263 1.00 71.35 C ATOM 512 O GLU A 34 -12.532 -6.942 -1.360 1.00 44.20 O ATOM 513 CB GLU A 34 -14.138 -7.858 1.396 1.00 61.14 C ATOM 514 CG GLU A 34 -14.693 -8.884 0.411 1.00 42.54 C ATOM 515 CD GLU A 34 -13.830 -10.142 0.310 1.00 1.10 C ATOM 516 OE1 GLU A 34 -12.863 -10.157 -0.483 1.00 64.44 O ATOM 517 OE2 GLU A 34 -14.111 -11.125 1.028 1.00 54.20 O ATOM 0 H GLU A 34 -12.840 -6.362 2.892 1.00 60.33 H new ATOM 0 HA GLU A 34 -12.084 -8.149 0.799 1.00 42.53 H new ATOM 0 HB2 GLU A 34 -14.081 -8.312 2.385 1.00 61.14 H new ATOM 0 HB3 GLU A 34 -14.836 -7.024 1.468 1.00 61.14 H new ATOM 0 HG2 GLU A 34 -15.701 -9.165 0.717 1.00 42.54 H new ATOM 0 HG3 GLU A 34 -14.775 -8.426 -0.575 1.00 42.54 H new ATOM 524 N VAL A 35 -13.267 -5.210 -0.126 1.00 53.41 N ATOM 525 CA VAL A 35 -13.321 -4.288 -1.266 1.00 61.03 C ATOM 526 C VAL A 35 -11.924 -4.098 -1.884 1.00 55.44 C ATOM 527 O VAL A 35 -11.770 -4.046 -3.108 1.00 74.11 O ATOM 528 CB VAL A 35 -13.900 -2.905 -0.860 1.00 64.34 C ATOM 529 CG1 VAL A 35 -13.921 -1.949 -2.053 1.00 13.24 C ATOM 530 CG2 VAL A 35 -15.302 -3.056 -0.271 1.00 73.12 C ATOM 0 H VAL A 35 -13.580 -4.807 0.758 1.00 53.41 H new ATOM 0 HA VAL A 35 -13.985 -4.736 -2.006 1.00 61.03 H new ATOM 0 HB VAL A 35 -13.249 -2.481 -0.095 1.00 64.34 H new ATOM 0 HG11 VAL A 35 -14.331 -0.988 -1.742 1.00 13.24 H new ATOM 0 HG12 VAL A 35 -12.906 -1.808 -2.424 1.00 13.24 H new ATOM 0 HG13 VAL A 35 -14.541 -2.369 -2.845 1.00 13.24 H new ATOM 0 HG21 VAL A 35 -15.688 -2.075 0.006 1.00 73.12 H new ATOM 0 HG22 VAL A 35 -15.961 -3.509 -1.012 1.00 73.12 H new ATOM 0 HG23 VAL A 35 -15.259 -3.692 0.613 1.00 73.12 H new ATOM 540 N MET A 36 -10.905 -4.009 -1.029 1.00 52.11 N ATOM 541 CA MET A 36 -9.522 -3.891 -1.491 1.00 10.24 C ATOM 542 C MET A 36 -9.057 -5.197 -2.165 1.00 70.42 C ATOM 543 O MET A 36 -8.429 -5.162 -3.224 1.00 61.42 O ATOM 544 CB MET A 36 -8.598 -3.522 -0.321 1.00 43.53 C ATOM 545 CG MET A 36 -7.182 -3.156 -0.745 1.00 53.32 C ATOM 546 SD MET A 36 -6.154 -2.626 0.639 1.00 21.34 S ATOM 547 CE MET A 36 -7.040 -1.176 1.210 1.00 44.42 C ATOM 0 H MET A 36 -11.011 -4.016 -0.015 1.00 52.11 H new ATOM 0 HA MET A 36 -9.473 -3.094 -2.233 1.00 10.24 H new ATOM 0 HB2 MET A 36 -9.033 -2.683 0.222 1.00 43.53 H new ATOM 0 HB3 MET A 36 -8.554 -4.361 0.373 1.00 43.53 H new ATOM 0 HG2 MET A 36 -6.718 -4.016 -1.228 1.00 53.32 H new ATOM 0 HG3 MET A 36 -7.224 -2.358 -1.487 1.00 53.32 H new ATOM 0 HE1 MET A 36 -6.362 -0.533 1.772 1.00 44.42 H new ATOM 0 HE2 MET A 36 -7.433 -0.629 0.353 1.00 44.42 H new ATOM 0 HE3 MET A 36 -7.865 -1.483 1.853 1.00 44.42 H new ATOM 557 N ASN A 37 -9.395 -6.342 -1.555 1.00 35.22 N ATOM 558 CA ASN A 37 -9.068 -7.664 -2.122 1.00 2.43 C ATOM 559 C ASN A 37 -9.518 -7.775 -3.587 1.00 62.31 C ATOM 560 O ASN A 37 -8.715 -8.061 -4.475 1.00 3.24 O ATOM 561 CB ASN A 37 -9.746 -8.789 -1.323 1.00 70.10 C ATOM 562 CG ASN A 37 -9.263 -8.896 0.112 1.00 41.33 C ATOM 563 OD1 ASN A 37 -8.126 -8.588 0.428 1.00 14.42 O ATOM 564 ND2 ASN A 37 -10.130 -9.351 0.995 1.00 60.42 N ATOM 0 H ASN A 37 -9.896 -6.382 -0.667 1.00 35.22 H new ATOM 0 HA ASN A 37 -7.984 -7.769 -2.066 1.00 2.43 H new ATOM 0 HB2 ASN A 37 -10.823 -8.624 -1.323 1.00 70.10 H new ATOM 0 HB3 ASN A 37 -9.569 -9.739 -1.828 1.00 70.10 H new ATOM 0 HD21 ASN A 37 -9.856 -9.453 1.972 1.00 60.42 H new ATOM 0 HD22 ASN A 37 -11.074 -9.601 0.701 1.00 60.42 H new ATOM 571 N GLY A 38 -10.809 -7.537 -3.828 1.00 15.00 N ATOM 572 CA GLY A 38 -11.359 -7.645 -5.177 1.00 52.33 C ATOM 573 C GLY A 38 -10.646 -6.760 -6.194 1.00 42.35 C ATOM 574 O GLY A 38 -10.451 -7.161 -7.343 1.00 54.34 O ATOM 0 H GLY A 38 -11.486 -7.271 -3.113 1.00 15.00 H new ATOM 0 HA2 GLY A 38 -11.299 -8.683 -5.504 1.00 52.33 H new ATOM 0 HA3 GLY A 38 -12.416 -7.379 -5.153 1.00 52.33 H new ATOM 578 N ARG A 39 -10.254 -5.555 -5.773 1.00 52.12 N ATOM 579 CA ARG A 39 -9.471 -4.656 -6.629 1.00 12.20 C ATOM 580 C ARG A 39 -8.111 -5.278 -6.973 1.00 42.32 C ATOM 581 O ARG A 39 -7.747 -5.408 -8.142 1.00 40.31 O ATOM 582 CB ARG A 39 -9.250 -3.301 -5.937 1.00 23.12 C ATOM 583 CG ARG A 39 -10.520 -2.483 -5.741 1.00 73.33 C ATOM 584 CD ARG A 39 -10.235 -1.163 -5.026 1.00 33.13 C ATOM 585 NE ARG A 39 -11.423 -0.313 -4.945 1.00 43.33 N ATOM 586 CZ ARG A 39 -11.808 0.318 -3.867 1.00 0.10 C ATOM 587 NH1 ARG A 39 -11.148 0.197 -2.761 1.00 22.25 N ATOM 588 NH2 ARG A 39 -12.856 1.070 -3.894 1.00 55.45 N ATOM 0 H ARG A 39 -10.464 -5.179 -4.848 1.00 52.12 H new ATOM 0 HA ARG A 39 -10.035 -4.501 -7.549 1.00 12.20 H new ATOM 0 HB2 ARG A 39 -8.789 -3.474 -4.964 1.00 23.12 H new ATOM 0 HB3 ARG A 39 -8.543 -2.717 -6.525 1.00 23.12 H new ATOM 0 HG2 ARG A 39 -10.977 -2.281 -6.710 1.00 73.33 H new ATOM 0 HG3 ARG A 39 -11.241 -3.062 -5.163 1.00 73.33 H new ATOM 0 HD2 ARG A 39 -9.867 -1.368 -4.021 1.00 33.13 H new ATOM 0 HD3 ARG A 39 -9.443 -0.630 -5.552 1.00 33.13 H new ATOM 0 HE ARG A 39 -11.989 -0.206 -5.787 1.00 43.33 H new ATOM 0 HH11 ARG A 39 -10.318 -0.395 -2.724 1.00 22.25 H new ATOM 0 HH12 ARG A 39 -11.457 0.694 -1.926 1.00 22.25 H new ATOM 0 HH21 ARG A 39 -13.387 1.174 -4.759 1.00 55.45 H new ATOM 0 HH22 ARG A 39 -13.153 1.561 -3.051 1.00 55.45 H new ATOM 602 N LEU A 40 -7.375 -5.680 -5.938 1.00 63.24 N ATOM 603 CA LEU A 40 -6.045 -6.273 -6.106 1.00 63.53 C ATOM 604 C LEU A 40 -6.113 -7.580 -6.920 1.00 64.50 C ATOM 605 O LEU A 40 -5.176 -7.931 -7.644 1.00 15.15 O ATOM 606 CB LEU A 40 -5.417 -6.531 -4.727 1.00 34.43 C ATOM 607 CG LEU A 40 -5.401 -5.315 -3.777 1.00 11.22 C ATOM 608 CD1 LEU A 40 -4.809 -5.689 -2.424 1.00 74.43 C ATOM 609 CD2 LEU A 40 -4.639 -4.146 -4.395 1.00 75.15 C ATOM 0 H LEU A 40 -7.678 -5.606 -4.967 1.00 63.24 H new ATOM 0 HA LEU A 40 -5.422 -5.572 -6.661 1.00 63.53 H new ATOM 0 HB2 LEU A 40 -5.960 -7.343 -4.244 1.00 34.43 H new ATOM 0 HB3 LEU A 40 -4.392 -6.874 -4.870 1.00 34.43 H new ATOM 0 HG LEU A 40 -6.433 -5.000 -3.621 1.00 11.22 H new ATOM 0 HD11 LEU A 40 -4.809 -4.815 -1.773 1.00 74.43 H new ATOM 0 HD12 LEU A 40 -5.408 -6.479 -1.971 1.00 74.43 H new ATOM 0 HD13 LEU A 40 -3.786 -6.041 -2.559 1.00 74.43 H new ATOM 0 HD21 LEU A 40 -4.644 -3.303 -3.704 1.00 75.15 H new ATOM 0 HD22 LEU A 40 -3.610 -4.447 -4.594 1.00 75.15 H new ATOM 0 HD23 LEU A 40 -5.118 -3.852 -5.329 1.00 75.15 H new ATOM 621 N ARG A 41 -7.227 -8.298 -6.795 1.00 33.35 N ATOM 622 CA ARG A 41 -7.459 -9.515 -7.579 1.00 51.45 C ATOM 623 C ARG A 41 -7.805 -9.188 -9.044 1.00 33.21 C ATOM 624 O ARG A 41 -7.342 -9.866 -9.964 1.00 35.34 O ATOM 625 CB ARG A 41 -8.562 -10.369 -6.923 1.00 65.41 C ATOM 626 CG ARG A 41 -8.099 -11.075 -5.646 1.00 53.13 C ATOM 627 CD ARG A 41 -9.123 -12.083 -5.120 1.00 11.51 C ATOM 628 NE ARG A 41 -10.353 -11.448 -4.643 1.00 71.45 N ATOM 629 CZ ARG A 41 -10.733 -11.441 -3.393 1.00 4.05 C ATOM 630 NH1 ARG A 41 -9.989 -11.985 -2.481 1.00 12.21 N ATOM 631 NH2 ARG A 41 -11.853 -10.884 -3.056 1.00 24.21 N ATOM 0 H ARG A 41 -7.987 -8.060 -6.157 1.00 33.35 H new ATOM 0 HA ARG A 41 -6.535 -10.092 -7.590 1.00 51.45 H new ATOM 0 HB2 ARG A 41 -9.415 -9.732 -6.689 1.00 65.41 H new ATOM 0 HB3 ARG A 41 -8.908 -11.115 -7.638 1.00 65.41 H new ATOM 0 HG2 ARG A 41 -7.158 -11.589 -5.841 1.00 53.13 H new ATOM 0 HG3 ARG A 41 -7.901 -10.330 -4.876 1.00 53.13 H new ATOM 0 HD2 ARG A 41 -9.369 -12.791 -5.912 1.00 11.51 H new ATOM 0 HD3 ARG A 41 -8.677 -12.656 -4.307 1.00 11.51 H new ATOM 0 HE ARG A 41 -10.949 -10.983 -5.328 1.00 71.45 H new ATOM 0 HH11 ARG A 41 -9.103 -12.421 -2.738 1.00 12.21 H new ATOM 0 HH12 ARG A 41 -10.289 -11.977 -1.506 1.00 12.21 H new ATOM 0 HH21 ARG A 41 -12.441 -10.449 -3.767 1.00 24.21 H new ATOM 0 HH22 ARG A 41 -12.147 -10.880 -2.079 1.00 24.21 H new ATOM 645 N ALA A 42 -8.597 -8.138 -9.259 1.00 64.52 N ATOM 646 CA ALA A 42 -8.964 -7.706 -10.615 1.00 12.55 C ATOM 647 C ALA A 42 -7.738 -7.215 -11.403 1.00 12.43 C ATOM 648 O ALA A 42 -7.557 -7.561 -12.574 1.00 53.42 O ATOM 649 CB ALA A 42 -10.024 -6.611 -10.551 1.00 45.40 C ATOM 0 H ALA A 42 -8.999 -7.568 -8.514 1.00 64.52 H new ATOM 0 HA ALA A 42 -9.373 -8.569 -11.140 1.00 12.55 H new ATOM 0 HB1 ALA A 42 -10.287 -6.300 -11.562 1.00 45.40 H new ATOM 0 HB2 ALA A 42 -10.911 -6.993 -10.046 1.00 45.40 H new ATOM 0 HB3 ALA A 42 -9.632 -5.757 -9.999 1.00 45.40 H new ATOM 655 N ILE A 43 -6.897 -6.414 -10.748 1.00 23.20 N ATOM 656 CA ILE A 43 -5.669 -5.893 -11.362 1.00 43.54 C ATOM 657 C ILE A 43 -4.757 -7.028 -11.863 1.00 63.00 C ATOM 658 O ILE A 43 -4.186 -6.949 -12.949 1.00 70.31 O ATOM 659 CB ILE A 43 -4.877 -5.000 -10.367 1.00 22.02 C ATOM 660 CG1 ILE A 43 -5.716 -3.776 -9.957 1.00 62.22 C ATOM 661 CG2 ILE A 43 -3.540 -4.564 -10.969 1.00 4.13 C ATOM 662 CD1 ILE A 43 -5.038 -2.878 -8.940 1.00 4.14 C ATOM 0 H ILE A 43 -7.043 -6.109 -9.786 1.00 23.20 H new ATOM 0 HA ILE A 43 -5.979 -5.290 -12.216 1.00 43.54 H new ATOM 0 HB ILE A 43 -4.667 -5.588 -9.474 1.00 22.02 H new ATOM 0 HG12 ILE A 43 -5.946 -3.191 -10.847 1.00 62.22 H new ATOM 0 HG13 ILE A 43 -6.666 -4.120 -9.547 1.00 62.22 H new ATOM 0 HG21 ILE A 43 -3.005 -3.940 -10.253 1.00 4.13 H new ATOM 0 HG22 ILE A 43 -2.941 -5.445 -11.202 1.00 4.13 H new ATOM 0 HG23 ILE A 43 -3.720 -3.996 -11.882 1.00 4.13 H new ATOM 0 HD11 ILE A 43 -5.692 -2.039 -8.702 1.00 4.14 H new ATOM 0 HD12 ILE A 43 -4.833 -3.446 -8.033 1.00 4.14 H new ATOM 0 HD13 ILE A 43 -4.102 -2.503 -9.353 1.00 4.14 H new ATOM 674 N ARG A 44 -4.624 -8.088 -11.067 1.00 22.31 N ATOM 675 CA ARG A 44 -3.795 -9.233 -11.452 1.00 25.53 C ATOM 676 C ARG A 44 -4.468 -10.095 -12.538 1.00 25.12 C ATOM 677 O ARG A 44 -3.790 -10.773 -13.306 1.00 62.12 O ATOM 678 CB ARG A 44 -3.426 -10.085 -10.230 1.00 13.43 C ATOM 679 CG ARG A 44 -2.607 -11.331 -10.577 1.00 63.31 C ATOM 680 CD ARG A 44 -1.797 -11.841 -9.393 1.00 44.20 C ATOM 681 NE ARG A 44 -2.612 -12.025 -8.197 1.00 62.25 N ATOM 682 CZ ARG A 44 -2.279 -12.786 -7.195 1.00 34.10 C ATOM 683 NH1 ARG A 44 -1.197 -13.495 -7.232 1.00 54.21 N ATOM 684 NH2 ARG A 44 -3.044 -12.834 -6.155 1.00 73.34 N ATOM 0 H ARG A 44 -5.076 -8.179 -10.157 1.00 22.31 H new ATOM 0 HA ARG A 44 -2.876 -8.832 -11.879 1.00 25.53 H new ATOM 0 HB2 ARG A 44 -2.860 -9.473 -9.528 1.00 13.43 H new ATOM 0 HB3 ARG A 44 -4.340 -10.391 -9.721 1.00 13.43 H new ATOM 0 HG2 ARG A 44 -3.277 -12.119 -10.922 1.00 63.31 H new ATOM 0 HG3 ARG A 44 -1.934 -11.102 -11.403 1.00 63.31 H new ATOM 0 HD2 ARG A 44 -1.328 -12.788 -9.659 1.00 44.20 H new ATOM 0 HD3 ARG A 44 -0.993 -11.137 -9.176 1.00 44.20 H new ATOM 0 HE ARG A 44 -3.500 -11.525 -8.143 1.00 62.25 H new ATOM 0 HH11 ARG A 44 -0.593 -13.462 -8.053 1.00 54.21 H new ATOM 0 HH12 ARG A 44 -0.948 -14.087 -6.440 1.00 54.21 H new ATOM 0 HH21 ARG A 44 -3.899 -12.279 -6.125 1.00 73.34 H new ATOM 0 HH22 ARG A 44 -2.793 -13.427 -5.364 1.00 73.34 H new ATOM 698 N SER A 45 -5.797 -10.057 -12.612 1.00 63.54 N ATOM 699 CA SER A 45 -6.527 -10.822 -13.634 1.00 55.44 C ATOM 700 C SER A 45 -6.212 -10.257 -15.023 1.00 24.32 C ATOM 701 O SER A 45 -6.229 -10.969 -16.031 1.00 74.23 O ATOM 702 CB SER A 45 -8.041 -10.769 -13.372 1.00 52.34 C ATOM 703 OG SER A 45 -8.763 -11.537 -14.324 1.00 61.34 O ATOM 0 H SER A 45 -6.390 -9.512 -11.986 1.00 63.54 H new ATOM 0 HA SER A 45 -6.208 -11.863 -13.588 1.00 55.44 H new ATOM 0 HB2 SER A 45 -8.251 -11.141 -12.369 1.00 52.34 H new ATOM 0 HB3 SER A 45 -8.381 -9.734 -13.406 1.00 52.34 H new ATOM 0 HG SER A 45 -9.722 -11.483 -14.128 1.00 61.34 H new ATOM 709 N SER A 46 -5.902 -8.965 -15.048 1.00 74.34 N ATOM 710 CA SER A 46 -5.536 -8.261 -16.276 1.00 34.10 C ATOM 711 C SER A 46 -4.023 -7.992 -16.358 1.00 61.24 C ATOM 712 O SER A 46 -3.313 -8.609 -17.150 1.00 41.11 O ATOM 713 CB SER A 46 -6.300 -6.936 -16.352 1.00 44.00 C ATOM 714 OG SER A 46 -6.084 -6.145 -15.191 1.00 21.41 O ATOM 0 H SER A 46 -5.897 -8.374 -14.217 1.00 74.34 H new ATOM 0 HA SER A 46 -5.803 -8.899 -17.118 1.00 34.10 H new ATOM 0 HB2 SER A 46 -5.983 -6.382 -17.236 1.00 44.00 H new ATOM 0 HB3 SER A 46 -7.366 -7.135 -16.465 1.00 44.00 H new ATOM 0 HG SER A 46 -6.583 -5.305 -15.270 1.00 21.41 H new ATOM 720 N HIS A 47 -3.539 -7.081 -15.517 1.00 15.14 N ATOM 721 CA HIS A 47 -2.137 -6.629 -15.554 1.00 51.14 C ATOM 722 C HIS A 47 -1.171 -7.655 -14.927 1.00 61.31 C ATOM 723 O HIS A 47 0.050 -7.507 -15.024 1.00 22.20 O ATOM 724 CB HIS A 47 -2.002 -5.287 -14.817 1.00 44.41 C ATOM 725 CG HIS A 47 -2.991 -4.248 -15.259 1.00 33.43 C ATOM 726 ND1 HIS A 47 -2.810 -3.528 -16.414 1.00 14.23 N ATOM 727 CD2 HIS A 47 -4.149 -3.856 -14.672 1.00 14.33 C ATOM 728 CE1 HIS A 47 -3.851 -2.722 -16.505 1.00 54.20 C ATOM 729 NE2 HIS A 47 -4.687 -2.886 -15.474 1.00 43.15 N ATOM 0 H HIS A 47 -4.099 -6.633 -14.791 1.00 15.14 H new ATOM 0 HA HIS A 47 -1.864 -6.515 -16.603 1.00 51.14 H new ATOM 0 HB2 HIS A 47 -2.123 -5.457 -13.747 1.00 44.41 H new ATOM 0 HB3 HIS A 47 -0.994 -4.901 -14.967 1.00 44.41 H new ATOM 0 HD2 HIS A 47 -4.566 -4.235 -13.751 1.00 14.33 H new ATOM 0 HE1 HIS A 47 -4.008 -2.019 -17.310 1.00 54.20 H new ATOM 0 HE2 HIS A 47 -5.560 -2.383 -15.315 1.00 43.15 H new ATOM 737 N ALA A 48 -1.724 -8.679 -14.271 1.00 21.12 N ATOM 738 CA ALA A 48 -0.922 -9.720 -13.595 1.00 2.10 C ATOM 739 C ALA A 48 -0.111 -9.155 -12.412 1.00 1.20 C ATOM 740 O ALA A 48 0.767 -9.826 -11.870 1.00 50.55 O ATOM 741 CB ALA A 48 -0.004 -10.428 -14.591 1.00 53.53 C ATOM 0 H ALA A 48 -2.732 -8.816 -14.190 1.00 21.12 H new ATOM 0 HA ALA A 48 -1.622 -10.448 -13.185 1.00 2.10 H new ATOM 0 HB1 ALA A 48 0.577 -11.190 -14.072 1.00 53.53 H new ATOM 0 HB2 ALA A 48 -0.605 -10.898 -15.370 1.00 53.53 H new ATOM 0 HB3 ALA A 48 0.672 -9.702 -15.043 1.00 53.53 H new ATOM 747 N VAL A 49 -0.441 -7.934 -11.996 1.00 25.22 N ATOM 748 CA VAL A 49 0.285 -7.248 -10.919 1.00 43.02 C ATOM 749 C VAL A 49 -0.130 -7.743 -9.523 1.00 74.52 C ATOM 750 O VAL A 49 -1.320 -7.806 -9.202 1.00 73.31 O ATOM 751 CB VAL A 49 0.062 -5.714 -10.995 1.00 44.12 C ATOM 752 CG1 VAL A 49 0.711 -5.001 -9.808 1.00 42.21 C ATOM 753 CG2 VAL A 49 0.589 -5.158 -12.316 1.00 44.25 C ATOM 0 H VAL A 49 -1.211 -7.393 -12.389 1.00 25.22 H new ATOM 0 HA VAL A 49 1.340 -7.480 -11.065 1.00 43.02 H new ATOM 0 HB VAL A 49 -1.011 -5.528 -10.948 1.00 44.12 H new ATOM 0 HG11 VAL A 49 0.538 -3.928 -9.889 1.00 42.21 H new ATOM 0 HG12 VAL A 49 0.275 -5.370 -8.879 1.00 42.21 H new ATOM 0 HG13 VAL A 49 1.783 -5.196 -9.808 1.00 42.21 H new ATOM 0 HG21 VAL A 49 0.423 -4.081 -12.350 1.00 44.25 H new ATOM 0 HG22 VAL A 49 1.656 -5.363 -12.397 1.00 44.25 H new ATOM 0 HG23 VAL A 49 0.064 -5.632 -13.145 1.00 44.25 H new ATOM 763 N GLU A 50 0.858 -8.087 -8.694 1.00 73.14 N ATOM 764 CA GLU A 50 0.602 -8.449 -7.296 1.00 73.40 C ATOM 765 C GLU A 50 0.786 -7.226 -6.381 1.00 14.24 C ATOM 766 O GLU A 50 1.902 -6.868 -5.997 1.00 14.02 O ATOM 767 CB GLU A 50 1.509 -9.607 -6.851 1.00 3.33 C ATOM 768 CG GLU A 50 1.236 -10.913 -7.594 1.00 22.33 C ATOM 769 CD GLU A 50 2.009 -12.095 -7.026 1.00 72.12 C ATOM 770 OE1 GLU A 50 1.523 -12.721 -6.061 1.00 74.22 O ATOM 771 OE2 GLU A 50 3.101 -12.404 -7.544 1.00 2.21 O ATOM 0 H GLU A 50 1.841 -8.123 -8.965 1.00 73.14 H new ATOM 0 HA GLU A 50 -0.432 -8.786 -7.215 1.00 73.40 H new ATOM 0 HB2 GLU A 50 2.550 -9.322 -7.003 1.00 3.33 H new ATOM 0 HB3 GLU A 50 1.377 -9.772 -5.782 1.00 3.33 H new ATOM 0 HG2 GLU A 50 0.169 -11.131 -7.554 1.00 22.33 H new ATOM 0 HG3 GLU A 50 1.496 -10.788 -8.645 1.00 22.33 H new ATOM 778 N PHE A 51 -0.333 -6.583 -6.060 1.00 55.14 N ATOM 779 CA PHE A 51 -0.350 -5.356 -5.258 1.00 35.00 C ATOM 780 C PHE A 51 -0.796 -5.660 -3.817 1.00 64.23 C ATOM 781 O PHE A 51 -1.971 -5.905 -3.565 1.00 10.14 O ATOM 782 CB PHE A 51 -1.301 -4.353 -5.935 1.00 53.51 C ATOM 783 CG PHE A 51 -1.332 -2.957 -5.353 1.00 53.11 C ATOM 784 CD1 PHE A 51 -0.486 -2.565 -4.320 1.00 73.42 C ATOM 785 CD2 PHE A 51 -2.228 -2.027 -5.861 1.00 40.44 C ATOM 786 CE1 PHE A 51 -0.538 -1.279 -3.814 1.00 41.11 C ATOM 787 CE2 PHE A 51 -2.281 -0.745 -5.360 1.00 62.23 C ATOM 788 CZ PHE A 51 -1.439 -0.369 -4.337 1.00 65.04 C ATOM 0 H PHE A 51 -1.260 -6.897 -6.349 1.00 55.14 H new ATOM 0 HA PHE A 51 0.651 -4.928 -5.202 1.00 35.00 H new ATOM 0 HB2 PHE A 51 -1.026 -4.278 -6.987 1.00 53.51 H new ATOM 0 HB3 PHE A 51 -2.311 -4.761 -5.898 1.00 53.51 H new ATOM 0 HD1 PHE A 51 0.219 -3.273 -3.909 1.00 73.42 H new ATOM 0 HD2 PHE A 51 -2.894 -2.313 -6.662 1.00 40.44 H new ATOM 0 HE1 PHE A 51 0.123 -0.986 -3.012 1.00 41.11 H new ATOM 0 HE2 PHE A 51 -2.983 -0.034 -5.770 1.00 62.23 H new ATOM 0 HZ PHE A 51 -1.482 0.636 -3.943 1.00 65.04 H new ATOM 798 N ALA A 52 0.153 -5.649 -2.882 1.00 51.00 N ATOM 799 CA ALA A 52 -0.124 -6.011 -1.485 1.00 44.24 C ATOM 800 C ALA A 52 -0.210 -4.781 -0.567 1.00 73.25 C ATOM 801 O ALA A 52 0.571 -3.839 -0.699 1.00 21.24 O ATOM 802 CB ALA A 52 0.950 -6.967 -0.979 1.00 3.30 C ATOM 0 H ALA A 52 1.124 -5.393 -3.063 1.00 51.00 H new ATOM 0 HA ALA A 52 -1.098 -6.499 -1.460 1.00 44.24 H new ATOM 0 HB1 ALA A 52 0.741 -7.233 0.057 1.00 3.30 H new ATOM 0 HB2 ALA A 52 0.953 -7.868 -1.592 1.00 3.30 H new ATOM 0 HB3 ALA A 52 1.925 -6.484 -1.040 1.00 3.30 H new ATOM 808 N VAL A 53 -1.155 -4.806 0.376 1.00 11.43 N ATOM 809 CA VAL A 53 -1.356 -3.704 1.330 1.00 63.13 C ATOM 810 C VAL A 53 -1.323 -4.211 2.785 1.00 34.52 C ATOM 811 O VAL A 53 -2.103 -5.084 3.165 1.00 53.53 O ATOM 812 CB VAL A 53 -2.707 -2.985 1.078 1.00 61.24 C ATOM 813 CG1 VAL A 53 -2.875 -1.792 2.020 1.00 33.51 C ATOM 814 CG2 VAL A 53 -2.828 -2.550 -0.382 1.00 52.42 C ATOM 0 H VAL A 53 -1.801 -5.585 0.503 1.00 11.43 H new ATOM 0 HA VAL A 53 -0.538 -3.000 1.177 1.00 63.13 H new ATOM 0 HB VAL A 53 -3.510 -3.692 1.286 1.00 61.24 H new ATOM 0 HG11 VAL A 53 -3.830 -1.305 1.823 1.00 33.51 H new ATOM 0 HG12 VAL A 53 -2.850 -2.138 3.053 1.00 33.51 H new ATOM 0 HG13 VAL A 53 -2.065 -1.082 1.856 1.00 33.51 H new ATOM 0 HG21 VAL A 53 -3.784 -2.048 -0.534 1.00 52.42 H new ATOM 0 HG22 VAL A 53 -2.016 -1.865 -0.626 1.00 52.42 H new ATOM 0 HG23 VAL A 53 -2.771 -3.426 -1.028 1.00 52.42 H new ATOM 824 N VAL A 54 -0.425 -3.656 3.599 1.00 72.13 N ATOM 825 CA VAL A 54 -0.274 -4.078 5.002 1.00 65.35 C ATOM 826 C VAL A 54 -0.318 -2.879 5.968 1.00 12.21 C ATOM 827 O VAL A 54 0.258 -1.826 5.694 1.00 75.41 O ATOM 828 CB VAL A 54 1.060 -4.840 5.216 1.00 41.05 C ATOM 829 CG1 VAL A 54 1.211 -5.297 6.667 1.00 33.14 C ATOM 830 CG2 VAL A 54 1.168 -6.027 4.258 1.00 31.10 C ATOM 0 H VAL A 54 0.212 -2.912 3.316 1.00 72.13 H new ATOM 0 HA VAL A 54 -1.114 -4.739 5.218 1.00 65.35 H new ATOM 0 HB VAL A 54 1.876 -4.150 4.998 1.00 41.05 H new ATOM 0 HG11 VAL A 54 2.156 -5.828 6.785 1.00 33.14 H new ATOM 0 HG12 VAL A 54 1.198 -4.428 7.325 1.00 33.14 H new ATOM 0 HG13 VAL A 54 0.387 -5.961 6.927 1.00 33.14 H new ATOM 0 HG21 VAL A 54 2.112 -6.546 4.427 1.00 31.10 H new ATOM 0 HG22 VAL A 54 0.340 -6.713 4.434 1.00 31.10 H new ATOM 0 HG23 VAL A 54 1.130 -5.669 3.229 1.00 31.10 H new ATOM 840 N THR A 55 -1.003 -3.047 7.099 1.00 61.44 N ATOM 841 CA THR A 55 -1.053 -2.013 8.143 1.00 73.04 C ATOM 842 C THR A 55 -0.420 -2.519 9.445 1.00 33.44 C ATOM 843 O THR A 55 -0.800 -3.569 9.967 1.00 70.24 O ATOM 844 CB THR A 55 -2.501 -1.566 8.458 1.00 21.31 C ATOM 845 OG1 THR A 55 -3.176 -2.578 9.219 1.00 5.34 O ATOM 846 CG2 THR A 55 -3.285 -1.289 7.180 1.00 71.24 C ATOM 0 H THR A 55 -1.533 -3.890 7.320 1.00 61.44 H new ATOM 0 HA THR A 55 -0.495 -1.163 7.752 1.00 73.04 H new ATOM 0 HB THR A 55 -2.445 -0.645 9.038 1.00 21.31 H new ATOM 0 HG1 THR A 55 -4.134 -2.374 9.258 1.00 5.34 H new ATOM 0 HG21 THR A 55 -4.298 -0.977 7.435 1.00 71.24 H new ATOM 0 HG22 THR A 55 -2.793 -0.497 6.616 1.00 71.24 H new ATOM 0 HG23 THR A 55 -3.326 -2.195 6.575 1.00 71.24 H new ATOM 854 N LEU A 56 0.544 -1.771 9.968 1.00 35.21 N ATOM 855 CA LEU A 56 1.204 -2.119 11.231 1.00 25.33 C ATOM 856 C LEU A 56 1.259 -0.901 12.169 1.00 42.43 C ATOM 857 O LEU A 56 1.362 0.233 11.704 1.00 60.24 O ATOM 858 CB LEU A 56 2.632 -2.616 10.965 1.00 61.31 C ATOM 859 CG LEU A 56 2.769 -3.780 9.966 1.00 24.44 C ATOM 860 CD1 LEU A 56 4.227 -3.978 9.573 1.00 40.11 C ATOM 861 CD2 LEU A 56 2.200 -5.068 10.548 1.00 63.14 C ATOM 0 H LEU A 56 0.891 -0.914 9.538 1.00 35.21 H new ATOM 0 HA LEU A 56 0.625 -2.910 11.707 1.00 25.33 H new ATOM 0 HB2 LEU A 56 3.224 -1.778 10.598 1.00 61.31 H new ATOM 0 HB3 LEU A 56 3.070 -2.925 11.914 1.00 61.31 H new ATOM 0 HG LEU A 56 2.197 -3.526 9.073 1.00 24.44 H new ATOM 0 HD11 LEU A 56 4.304 -4.805 8.867 1.00 40.11 H new ATOM 0 HD12 LEU A 56 4.606 -3.067 9.109 1.00 40.11 H new ATOM 0 HD13 LEU A 56 4.816 -4.204 10.462 1.00 40.11 H new ATOM 0 HD21 LEU A 56 2.309 -5.874 9.823 1.00 63.14 H new ATOM 0 HD22 LEU A 56 2.739 -5.325 11.460 1.00 63.14 H new ATOM 0 HD23 LEU A 56 1.144 -4.928 10.778 1.00 63.14 H new ATOM 873 N PRO A 57 1.168 -1.107 13.500 1.00 24.12 N ATOM 874 CA PRO A 57 1.331 -0.014 14.475 1.00 33.13 C ATOM 875 C PRO A 57 2.697 0.679 14.329 1.00 23.32 C ATOM 876 O PRO A 57 2.783 1.828 13.885 1.00 23.21 O ATOM 877 CB PRO A 57 1.205 -0.717 15.838 1.00 72.04 C ATOM 878 CG PRO A 57 0.462 -1.979 15.547 1.00 64.24 C ATOM 879 CD PRO A 57 0.881 -2.393 14.161 1.00 70.00 C ATOM 0 HA PRO A 57 0.595 0.778 14.338 1.00 33.13 H new ATOM 0 HB2 PRO A 57 2.185 -0.925 16.268 1.00 72.04 H new ATOM 0 HB3 PRO A 57 0.667 -0.097 16.555 1.00 72.04 H new ATOM 0 HG2 PRO A 57 0.705 -2.752 16.276 1.00 64.24 H new ATOM 0 HG3 PRO A 57 -0.615 -1.819 15.598 1.00 64.24 H new ATOM 0 HD2 PRO A 57 1.758 -3.040 14.181 1.00 70.00 H new ATOM 0 HD3 PRO A 57 0.091 -2.942 13.648 1.00 70.00 H new ATOM 887 N SER A 58 3.766 -0.036 14.675 1.00 3.33 N ATOM 888 CA SER A 58 5.128 0.476 14.489 1.00 43.41 C ATOM 889 C SER A 58 6.077 -0.641 14.054 1.00 50.40 C ATOM 890 O SER A 58 5.819 -1.825 14.286 1.00 61.14 O ATOM 891 CB SER A 58 5.664 1.124 15.774 1.00 14.25 C ATOM 892 OG SER A 58 5.962 0.146 16.756 1.00 11.22 O ATOM 0 H SER A 58 3.719 -0.969 15.085 1.00 3.33 H new ATOM 0 HA SER A 58 5.080 1.234 13.707 1.00 43.41 H new ATOM 0 HB2 SER A 58 6.561 1.700 15.547 1.00 14.25 H new ATOM 0 HB3 SER A 58 4.926 1.824 16.166 1.00 14.25 H new ATOM 0 HG SER A 58 6.913 0.195 16.989 1.00 11.22 H new ATOM 898 N ILE A 59 7.182 -0.255 13.427 1.00 54.30 N ATOM 899 CA ILE A 59 8.184 -1.210 12.942 1.00 34.33 C ATOM 900 C ILE A 59 9.479 -1.121 13.767 1.00 12.30 C ATOM 901 O ILE A 59 10.554 -1.520 13.313 1.00 52.23 O ATOM 902 CB ILE A 59 8.501 -0.955 11.443 1.00 14.52 C ATOM 903 CG1 ILE A 59 9.024 0.482 11.235 1.00 20.33 C ATOM 904 CG2 ILE A 59 7.259 -1.209 10.584 1.00 2.10 C ATOM 905 CD1 ILE A 59 9.336 0.824 9.790 1.00 45.32 C ATOM 0 H ILE A 59 7.412 0.721 13.239 1.00 54.30 H new ATOM 0 HA ILE A 59 7.768 -2.211 13.054 1.00 34.33 H new ATOM 0 HB ILE A 59 9.282 -1.649 11.132 1.00 14.52 H new ATOM 0 HG12 ILE A 59 8.282 1.186 11.612 1.00 20.33 H new ATOM 0 HG13 ILE A 59 9.925 0.619 11.833 1.00 20.33 H new ATOM 0 HG21 ILE A 59 7.498 -1.026 9.536 1.00 2.10 H new ATOM 0 HG22 ILE A 59 6.936 -2.243 10.707 1.00 2.10 H new ATOM 0 HG23 ILE A 59 6.458 -0.539 10.896 1.00 2.10 H new ATOM 0 HD11 ILE A 59 9.698 1.850 9.729 1.00 45.32 H new ATOM 0 HD12 ILE A 59 10.102 0.146 9.413 1.00 45.32 H new ATOM 0 HD13 ILE A 59 8.433 0.721 9.189 1.00 45.32 H new ATOM 917 N GLY A 60 9.356 -0.629 15.001 1.00 45.55 N ATOM 918 CA GLY A 60 10.525 -0.389 15.843 1.00 21.15 C ATOM 919 C GLY A 60 11.279 0.874 15.438 1.00 12.33 C ATOM 920 O GLY A 60 10.665 1.867 15.035 1.00 11.32 O ATOM 0 H GLY A 60 8.464 -0.391 15.436 1.00 45.55 H new ATOM 0 HA2 GLY A 60 10.210 -0.304 16.883 1.00 21.15 H new ATOM 0 HA3 GLY A 60 11.196 -1.246 15.782 1.00 21.15 H new ATOM 924 N ASP A 61 12.604 0.849 15.544 1.00 2.03 N ATOM 925 CA ASP A 61 13.438 1.974 15.104 1.00 33.03 C ATOM 926 C ASP A 61 13.976 1.739 13.675 1.00 35.23 C ATOM 927 O ASP A 61 14.827 2.480 13.182 1.00 45.31 O ATOM 928 CB ASP A 61 14.593 2.183 16.097 1.00 54.32 C ATOM 929 CG ASP A 61 15.332 3.492 15.879 1.00 63.12 C ATOM 930 OD1 ASP A 61 14.722 4.567 16.083 1.00 11.11 O ATOM 931 OD2 ASP A 61 16.520 3.461 15.495 1.00 53.15 O ATOM 0 H ASP A 61 13.128 0.064 15.930 1.00 2.03 H new ATOM 0 HA ASP A 61 12.826 2.876 15.080 1.00 33.03 H new ATOM 0 HB2 ASP A 61 14.200 2.159 17.113 1.00 54.32 H new ATOM 0 HB3 ASP A 61 15.297 1.355 16.007 1.00 54.32 H new ATOM 936 N ALA A 62 13.462 0.706 13.011 1.00 64.12 N ATOM 937 CA ALA A 62 13.876 0.377 11.642 1.00 71.53 C ATOM 938 C ALA A 62 13.351 1.403 10.617 1.00 63.41 C ATOM 939 O ALA A 62 12.229 1.900 10.739 1.00 72.34 O ATOM 940 CB ALA A 62 13.395 -1.026 11.280 1.00 54.42 C ATOM 0 H ALA A 62 12.756 0.079 13.397 1.00 64.12 H new ATOM 0 HA ALA A 62 14.965 0.411 11.606 1.00 71.53 H new ATOM 0 HB1 ALA A 62 13.705 -1.266 10.263 1.00 54.42 H new ATOM 0 HB2 ALA A 62 13.828 -1.749 11.971 1.00 54.42 H new ATOM 0 HB3 ALA A 62 12.308 -1.067 11.347 1.00 54.42 H new ATOM 946 N PRO A 63 14.165 1.745 9.595 1.00 33.20 N ATOM 947 CA PRO A 63 13.749 2.671 8.524 1.00 64.10 C ATOM 948 C PRO A 63 12.646 2.082 7.619 1.00 41.20 C ATOM 949 O PRO A 63 12.629 0.881 7.336 1.00 33.34 O ATOM 950 CB PRO A 63 15.042 2.903 7.731 1.00 51.23 C ATOM 951 CG PRO A 63 15.877 1.698 8.002 1.00 10.51 C ATOM 952 CD PRO A 63 15.551 1.272 9.407 1.00 11.12 C ATOM 0 HA PRO A 63 13.312 3.585 8.926 1.00 64.10 H new ATOM 0 HB2 PRO A 63 14.838 3.012 6.666 1.00 51.23 H new ATOM 0 HB3 PRO A 63 15.546 3.814 8.054 1.00 51.23 H new ATOM 0 HG2 PRO A 63 15.654 0.902 7.292 1.00 10.51 H new ATOM 0 HG3 PRO A 63 16.938 1.928 7.901 1.00 10.51 H new ATOM 0 HD2 PRO A 63 15.627 0.191 9.527 1.00 11.12 H new ATOM 0 HD3 PRO A 63 16.231 1.721 10.131 1.00 11.12 H new ATOM 960 N LEU A 64 11.740 2.943 7.153 1.00 75.42 N ATOM 961 CA LEU A 64 10.572 2.510 6.373 1.00 10.25 C ATOM 962 C LEU A 64 10.969 1.817 5.054 1.00 40.45 C ATOM 963 O LEU A 64 10.438 0.755 4.721 1.00 60.22 O ATOM 964 CB LEU A 64 9.663 3.716 6.085 1.00 21.05 C ATOM 965 CG LEU A 64 8.371 3.406 5.308 1.00 74.43 C ATOM 966 CD1 LEU A 64 7.503 2.403 6.067 1.00 11.22 C ATOM 967 CD2 LEU A 64 7.591 4.692 5.033 1.00 42.11 C ATOM 0 H LEU A 64 11.791 3.951 7.302 1.00 75.42 H new ATOM 0 HA LEU A 64 10.034 1.775 6.971 1.00 10.25 H new ATOM 0 HB2 LEU A 64 9.392 4.179 7.034 1.00 21.05 H new ATOM 0 HB3 LEU A 64 10.236 4.453 5.523 1.00 21.05 H new ATOM 0 HG LEU A 64 8.648 2.958 4.354 1.00 74.43 H new ATOM 0 HD11 LEU A 64 6.596 2.201 5.496 1.00 11.22 H new ATOM 0 HD12 LEU A 64 8.057 1.475 6.207 1.00 11.22 H new ATOM 0 HD13 LEU A 64 7.235 2.816 7.039 1.00 11.22 H new ATOM 0 HD21 LEU A 64 6.680 4.455 4.483 1.00 42.11 H new ATOM 0 HD22 LEU A 64 7.330 5.169 5.978 1.00 42.11 H new ATOM 0 HD23 LEU A 64 8.206 5.371 4.442 1.00 42.11 H new ATOM 979 N GLU A 65 11.900 2.419 4.309 1.00 51.40 N ATOM 980 CA GLU A 65 12.348 1.859 3.023 1.00 44.54 C ATOM 981 C GLU A 65 12.917 0.438 3.174 1.00 4.33 C ATOM 982 O GLU A 65 12.499 -0.488 2.477 1.00 12.31 O ATOM 983 CB GLU A 65 13.393 2.777 2.379 1.00 51.23 C ATOM 984 CG GLU A 65 14.030 2.196 1.116 1.00 65.43 C ATOM 985 CD GLU A 65 14.934 3.183 0.400 1.00 15.02 C ATOM 986 OE1 GLU A 65 15.989 3.544 0.964 1.00 11.40 O ATOM 987 OE2 GLU A 65 14.597 3.605 -0.726 1.00 25.52 O ATOM 0 H GLU A 65 12.359 3.292 4.570 1.00 51.40 H new ATOM 0 HA GLU A 65 11.472 1.794 2.377 1.00 44.54 H new ATOM 0 HB2 GLU A 65 12.924 3.730 2.133 1.00 51.23 H new ATOM 0 HB3 GLU A 65 14.177 2.986 3.107 1.00 51.23 H new ATOM 0 HG2 GLU A 65 14.607 1.310 1.381 1.00 65.43 H new ATOM 0 HG3 GLU A 65 13.243 1.872 0.435 1.00 65.43 H new ATOM 994 N ASP A 66 13.878 0.273 4.079 1.00 51.24 N ATOM 995 CA ASP A 66 14.481 -1.039 4.321 1.00 34.21 C ATOM 996 C ASP A 66 13.437 -2.067 4.783 1.00 51.42 C ATOM 997 O ASP A 66 13.535 -3.250 4.454 1.00 22.34 O ATOM 998 CB ASP A 66 15.605 -0.920 5.352 1.00 1.13 C ATOM 999 CG ASP A 66 16.794 -0.159 4.800 1.00 12.12 C ATOM 1000 OD1 ASP A 66 16.776 1.090 4.830 1.00 4.31 O ATOM 1001 OD2 ASP A 66 17.749 -0.805 4.322 1.00 70.14 O ATOM 0 H ASP A 66 14.256 1.025 4.655 1.00 51.24 H new ATOM 0 HA ASP A 66 14.897 -1.394 3.378 1.00 34.21 H new ATOM 0 HB2 ASP A 66 15.230 -0.414 6.242 1.00 1.13 H new ATOM 0 HB3 ASP A 66 15.922 -1.916 5.661 1.00 1.13 H new ATOM 1006 N PHE A 67 12.437 -1.615 5.534 1.00 54.21 N ATOM 1007 CA PHE A 67 11.368 -2.505 5.994 1.00 52.43 C ATOM 1008 C PHE A 67 10.550 -3.052 4.812 1.00 64.52 C ATOM 1009 O PHE A 67 10.410 -4.269 4.652 1.00 51.30 O ATOM 1010 CB PHE A 67 10.444 -1.780 6.982 1.00 73.32 C ATOM 1011 CG PHE A 67 9.378 -2.678 7.563 1.00 31.44 C ATOM 1012 CD1 PHE A 67 9.656 -3.482 8.659 1.00 30.14 C ATOM 1013 CD2 PHE A 67 8.107 -2.731 7.005 1.00 62.31 C ATOM 1014 CE1 PHE A 67 8.689 -4.316 9.186 1.00 51.12 C ATOM 1015 CE2 PHE A 67 7.140 -3.566 7.528 1.00 10.14 C ATOM 1016 CZ PHE A 67 7.432 -4.359 8.621 1.00 34.40 C ATOM 0 H PHE A 67 12.342 -0.646 5.837 1.00 54.21 H new ATOM 0 HA PHE A 67 11.838 -3.346 6.504 1.00 52.43 H new ATOM 0 HB2 PHE A 67 11.043 -1.365 7.793 1.00 73.32 H new ATOM 0 HB3 PHE A 67 9.967 -0.941 6.476 1.00 73.32 H new ATOM 0 HD1 PHE A 67 10.639 -3.456 9.105 1.00 30.14 H new ATOM 0 HD2 PHE A 67 7.873 -2.112 6.152 1.00 62.31 H new ATOM 0 HE1 PHE A 67 8.918 -4.935 10.041 1.00 51.12 H new ATOM 0 HE2 PHE A 67 6.156 -3.599 7.083 1.00 10.14 H new ATOM 0 HZ PHE A 67 6.676 -5.012 9.032 1.00 34.40 H new ATOM 1026 N THR A 68 10.015 -2.149 3.983 1.00 42.41 N ATOM 1027 CA THR A 68 9.220 -2.548 2.810 1.00 44.41 C ATOM 1028 C THR A 68 10.033 -3.432 1.864 1.00 42.15 C ATOM 1029 O THR A 68 9.517 -4.402 1.308 1.00 14.24 O ATOM 1030 CB THR A 68 8.694 -1.328 2.011 1.00 11.11 C ATOM 1031 OG1 THR A 68 9.790 -0.535 1.525 1.00 33.51 O ATOM 1032 CG2 THR A 68 7.784 -0.459 2.873 1.00 13.23 C ATOM 0 H THR A 68 10.116 -1.141 4.099 1.00 42.41 H new ATOM 0 HA THR A 68 8.369 -3.105 3.202 1.00 44.41 H new ATOM 0 HB THR A 68 8.119 -1.708 1.166 1.00 11.11 H new ATOM 0 HG1 THR A 68 10.578 -0.685 2.089 1.00 33.51 H new ATOM 0 HG21 THR A 68 7.430 0.389 2.287 1.00 13.23 H new ATOM 0 HG22 THR A 68 6.932 -1.048 3.211 1.00 13.23 H new ATOM 0 HG23 THR A 68 8.340 -0.096 3.738 1.00 13.23 H new ATOM 1040 N LEU A 69 11.307 -3.092 1.689 1.00 1.32 N ATOM 1041 CA LEU A 69 12.211 -3.892 0.862 1.00 63.24 C ATOM 1042 C LEU A 69 12.334 -5.328 1.403 1.00 11.35 C ATOM 1043 O LEU A 69 12.072 -6.297 0.690 1.00 40.14 O ATOM 1044 CB LEU A 69 13.595 -3.227 0.811 1.00 14.44 C ATOM 1045 CG LEU A 69 14.633 -3.927 -0.082 1.00 32.30 C ATOM 1046 CD1 LEU A 69 14.170 -3.941 -1.538 1.00 53.53 C ATOM 1047 CD2 LEU A 69 16.000 -3.254 0.049 1.00 23.23 C ATOM 0 H LEU A 69 11.739 -2.268 2.108 1.00 1.32 H new ATOM 0 HA LEU A 69 11.797 -3.945 -0.145 1.00 63.24 H new ATOM 0 HB2 LEU A 69 13.474 -2.202 0.462 1.00 14.44 H new ATOM 0 HB3 LEU A 69 13.991 -3.174 1.825 1.00 14.44 H new ATOM 0 HG LEU A 69 14.731 -4.960 0.252 1.00 32.30 H new ATOM 0 HD11 LEU A 69 14.918 -4.441 -2.153 1.00 53.53 H new ATOM 0 HD12 LEU A 69 13.223 -4.475 -1.614 1.00 53.53 H new ATOM 0 HD13 LEU A 69 14.038 -2.917 -1.888 1.00 53.53 H new ATOM 0 HD21 LEU A 69 16.720 -3.765 -0.591 1.00 23.23 H new ATOM 0 HD22 LEU A 69 15.922 -2.210 -0.254 1.00 23.23 H new ATOM 0 HD23 LEU A 69 16.334 -3.307 1.085 1.00 23.23 H new ATOM 1059 N LYS A 70 12.704 -5.455 2.678 1.00 64.11 N ATOM 1060 CA LYS A 70 12.869 -6.771 3.318 1.00 74.35 C ATOM 1061 C LYS A 70 11.565 -7.587 3.312 1.00 54.24 C ATOM 1062 O LYS A 70 11.588 -8.819 3.237 1.00 54.34 O ATOM 1063 CB LYS A 70 13.371 -6.602 4.761 1.00 43.31 C ATOM 1064 CG LYS A 70 14.802 -6.079 4.860 1.00 1.24 C ATOM 1065 CD LYS A 70 15.239 -5.871 6.310 1.00 31.25 C ATOM 1066 CE LYS A 70 15.158 -7.160 7.129 1.00 43.14 C ATOM 1067 NZ LYS A 70 15.991 -8.247 6.547 1.00 74.32 N ATOM 0 H LYS A 70 12.897 -4.664 3.293 1.00 64.11 H new ATOM 0 HA LYS A 70 13.607 -7.322 2.735 1.00 74.35 H new ATOM 0 HB2 LYS A 70 12.707 -5.917 5.289 1.00 43.31 H new ATOM 0 HB3 LYS A 70 13.309 -7.563 5.272 1.00 43.31 H new ATOM 0 HG2 LYS A 70 15.479 -6.782 4.375 1.00 1.24 H new ATOM 0 HG3 LYS A 70 14.881 -5.136 4.319 1.00 1.24 H new ATOM 0 HD2 LYS A 70 16.262 -5.494 6.329 1.00 31.25 H new ATOM 0 HD3 LYS A 70 14.610 -5.109 6.771 1.00 31.25 H new ATOM 0 HE2 LYS A 70 15.484 -6.961 8.150 1.00 43.14 H new ATOM 0 HE3 LYS A 70 14.120 -7.489 7.184 1.00 43.14 H new ATOM 0 HZ1 LYS A 70 15.987 -9.067 7.186 1.00 74.32 H new ATOM 0 HZ2 LYS A 70 15.602 -8.526 5.624 1.00 74.32 H new ATOM 0 HZ3 LYS A 70 16.967 -7.909 6.424 1.00 74.32 H new ATOM 1081 N LEU A 71 10.433 -6.898 3.401 1.00 61.13 N ATOM 1082 CA LEU A 71 9.125 -7.557 3.381 1.00 53.31 C ATOM 1083 C LEU A 71 8.777 -8.066 1.967 1.00 12.43 C ATOM 1084 O LEU A 71 8.390 -9.223 1.786 1.00 4.21 O ATOM 1085 CB LEU A 71 8.047 -6.588 3.891 1.00 1.40 C ATOM 1086 CG LEU A 71 6.653 -7.201 4.097 1.00 31.40 C ATOM 1087 CD1 LEU A 71 6.699 -8.329 5.124 1.00 11.13 C ATOM 1088 CD2 LEU A 71 5.651 -6.129 4.521 1.00 60.21 C ATOM 0 H LEU A 71 10.391 -5.883 3.488 1.00 61.13 H new ATOM 0 HA LEU A 71 9.164 -8.424 4.041 1.00 53.31 H new ATOM 0 HB2 LEU A 71 8.382 -6.164 4.838 1.00 1.40 H new ATOM 0 HB3 LEU A 71 7.961 -5.762 3.185 1.00 1.40 H new ATOM 0 HG LEU A 71 6.326 -7.622 3.146 1.00 31.40 H new ATOM 0 HD11 LEU A 71 5.700 -8.746 5.252 1.00 11.13 H new ATOM 0 HD12 LEU A 71 7.376 -9.109 4.777 1.00 11.13 H new ATOM 0 HD13 LEU A 71 7.054 -7.938 6.078 1.00 11.13 H new ATOM 0 HD21 LEU A 71 4.670 -6.583 4.662 1.00 60.21 H new ATOM 0 HD22 LEU A 71 5.978 -5.675 5.456 1.00 60.21 H new ATOM 0 HD23 LEU A 71 5.589 -5.363 3.748 1.00 60.21 H new ATOM 1100 N ALA A 72 8.940 -7.203 0.963 1.00 3.23 N ATOM 1101 CA ALA A 72 8.671 -7.571 -0.435 1.00 31.44 C ATOM 1102 C ALA A 72 9.610 -8.688 -0.924 1.00 13.13 C ATOM 1103 O ALA A 72 9.198 -9.567 -1.689 1.00 72.31 O ATOM 1104 CB ALA A 72 8.793 -6.345 -1.335 1.00 13.44 C ATOM 0 H ALA A 72 9.257 -6.242 1.089 1.00 3.23 H new ATOM 0 HA ALA A 72 7.652 -7.954 -0.485 1.00 31.44 H new ATOM 0 HB1 ALA A 72 8.592 -6.630 -2.368 1.00 13.44 H new ATOM 0 HB2 ALA A 72 8.073 -5.589 -1.020 1.00 13.44 H new ATOM 0 HB3 ALA A 72 9.802 -5.938 -1.261 1.00 13.44 H new ATOM 1110 N ARG A 73 10.871 -8.645 -0.482 1.00 21.10 N ATOM 1111 CA ARG A 73 11.870 -9.650 -0.872 1.00 54.25 C ATOM 1112 C ARG A 73 11.471 -11.060 -0.419 1.00 1.42 C ATOM 1113 O ARG A 73 11.395 -11.979 -1.236 1.00 61.35 O ATOM 1114 CB ARG A 73 13.257 -9.293 -0.307 1.00 31.11 C ATOM 1115 CG ARG A 73 13.886 -8.060 -0.952 1.00 31.54 C ATOM 1116 CD ARG A 73 15.289 -7.790 -0.420 1.00 65.30 C ATOM 1117 NE ARG A 73 16.201 -8.908 -0.672 1.00 23.11 N ATOM 1118 CZ ARG A 73 17.488 -8.867 -0.453 1.00 43.21 C ATOM 1119 NH1 ARG A 73 18.051 -7.784 -0.028 1.00 22.02 N ATOM 1120 NH2 ARG A 73 18.217 -9.910 -0.681 1.00 60.33 N ATOM 0 H ARG A 73 11.226 -7.925 0.147 1.00 21.10 H new ATOM 0 HA ARG A 73 11.916 -9.646 -1.961 1.00 54.25 H new ATOM 0 HB2 ARG A 73 13.170 -9.125 0.766 1.00 31.11 H new ATOM 0 HB3 ARG A 73 13.925 -10.144 -0.444 1.00 31.11 H new ATOM 0 HG2 ARG A 73 13.928 -8.198 -2.032 1.00 31.54 H new ATOM 0 HG3 ARG A 73 13.254 -7.191 -0.766 1.00 31.54 H new ATOM 0 HD2 ARG A 73 15.685 -6.888 -0.886 1.00 65.30 H new ATOM 0 HD3 ARG A 73 15.239 -7.599 0.652 1.00 65.30 H new ATOM 0 HE ARG A 73 15.806 -9.773 -1.042 1.00 23.11 H new ATOM 0 HH11 ARG A 73 17.489 -6.949 0.140 1.00 22.02 H new ATOM 0 HH12 ARG A 73 19.057 -7.764 0.139 1.00 22.02 H new ATOM 0 HH21 ARG A 73 17.787 -10.766 -1.032 1.00 60.33 H new ATOM 0 HH22 ARG A 73 19.222 -9.877 -0.510 1.00 60.33 H new ATOM 1134 N GLN A 74 11.195 -11.226 0.872 1.00 31.14 N ATOM 1135 CA GLN A 74 10.828 -12.542 1.417 1.00 20.22 C ATOM 1136 C GLN A 74 9.497 -13.046 0.828 1.00 72.14 C ATOM 1137 O GLN A 74 9.264 -14.252 0.734 1.00 4.30 O ATOM 1138 CB GLN A 74 10.745 -12.481 2.949 1.00 70.25 C ATOM 1139 CG GLN A 74 9.664 -11.541 3.466 1.00 0.44 C ATOM 1140 CD GLN A 74 9.631 -11.453 4.979 1.00 43.52 C ATOM 1141 OE1 GLN A 74 8.954 -12.223 5.643 1.00 74.42 O ATOM 1142 NE2 GLN A 74 10.360 -10.506 5.534 1.00 71.42 N ATOM 0 H GLN A 74 11.217 -10.474 1.561 1.00 31.14 H new ATOM 0 HA GLN A 74 11.607 -13.249 1.132 1.00 20.22 H new ATOM 0 HB2 GLN A 74 10.557 -13.483 3.334 1.00 70.25 H new ATOM 0 HB3 GLN A 74 11.710 -12.163 3.344 1.00 70.25 H new ATOM 0 HG2 GLN A 74 9.828 -10.546 3.053 1.00 0.44 H new ATOM 0 HG3 GLN A 74 8.693 -11.880 3.106 1.00 0.44 H new ATOM 0 HE21 GLN A 74 10.914 -9.880 4.949 1.00 71.42 H new ATOM 0 HE22 GLN A 74 10.371 -10.399 6.548 1.00 71.42 H new ATOM 1151 N TRP A 75 8.634 -12.113 0.425 1.00 11.12 N ATOM 1152 CA TRP A 75 7.356 -12.456 -0.212 1.00 1.23 C ATOM 1153 C TRP A 75 7.531 -12.796 -1.703 1.00 55.11 C ATOM 1154 O TRP A 75 6.562 -13.125 -2.388 1.00 24.11 O ATOM 1155 CB TRP A 75 6.359 -11.296 -0.058 1.00 53.05 C ATOM 1156 CG TRP A 75 5.854 -11.098 1.344 1.00 72.03 C ATOM 1157 CD1 TRP A 75 6.333 -11.677 2.485 1.00 31.24 C ATOM 1158 CD2 TRP A 75 4.766 -10.261 1.750 1.00 50.14 C ATOM 1159 NE1 TRP A 75 5.609 -11.253 3.569 1.00 0.04 N ATOM 1160 CE2 TRP A 75 4.641 -10.387 3.145 1.00 2.44 C ATOM 1161 CE3 TRP A 75 3.885 -9.419 1.071 1.00 63.12 C ATOM 1162 CZ2 TRP A 75 3.672 -9.701 3.872 1.00 74.24 C ATOM 1163 CZ3 TRP A 75 2.922 -8.741 1.793 1.00 54.51 C ATOM 1164 CH2 TRP A 75 2.821 -8.888 3.181 1.00 2.51 C ATOM 0 H TRP A 75 8.795 -11.111 0.527 1.00 11.12 H new ATOM 0 HA TRP A 75 6.969 -13.342 0.290 1.00 1.23 H new ATOM 0 HB2 TRP A 75 6.836 -10.375 -0.394 1.00 53.05 H new ATOM 0 HB3 TRP A 75 5.509 -11.473 -0.717 1.00 53.05 H new ATOM 0 HD1 TRP A 75 7.162 -12.368 2.527 1.00 31.24 H new ATOM 0 HE1 TRP A 75 5.767 -11.538 4.536 1.00 0.04 H new ATOM 0 HE3 TRP A 75 3.955 -9.299 -0.000 1.00 63.12 H new ATOM 0 HZ2 TRP A 75 3.596 -9.808 4.944 1.00 74.24 H new ATOM 0 HZ3 TRP A 75 2.235 -8.086 1.277 1.00 54.51 H new ATOM 0 HH2 TRP A 75 2.054 -8.347 3.716 1.00 2.51 H new ATOM 1175 N GLY A 76 8.760 -12.692 -2.211 1.00 44.44 N ATOM 1176 CA GLY A 76 9.036 -13.033 -3.607 1.00 2.44 C ATOM 1177 C GLY A 76 8.681 -11.915 -4.589 1.00 51.03 C ATOM 1178 O GLY A 76 9.473 -11.582 -5.474 1.00 2.22 O ATOM 0 H GLY A 76 9.573 -12.377 -1.682 1.00 44.44 H new ATOM 0 HA2 GLY A 76 10.094 -13.275 -3.711 1.00 2.44 H new ATOM 0 HA3 GLY A 76 8.476 -13.930 -3.871 1.00 2.44 H new ATOM 1182 N VAL A 77 7.492 -11.333 -4.422 1.00 61.51 N ATOM 1183 CA VAL A 77 7.015 -10.243 -5.283 1.00 60.11 C ATOM 1184 C VAL A 77 8.049 -9.118 -5.448 1.00 61.42 C ATOM 1185 O VAL A 77 8.077 -8.437 -6.470 1.00 11.31 O ATOM 1186 CB VAL A 77 5.703 -9.644 -4.734 1.00 35.15 C ATOM 1187 CG1 VAL A 77 4.560 -10.646 -4.857 1.00 2.41 C ATOM 1188 CG2 VAL A 77 5.875 -9.189 -3.282 1.00 31.41 C ATOM 0 H VAL A 77 6.833 -11.600 -3.690 1.00 61.51 H new ATOM 0 HA VAL A 77 6.842 -10.687 -6.263 1.00 60.11 H new ATOM 0 HB VAL A 77 5.454 -8.768 -5.333 1.00 35.15 H new ATOM 0 HG11 VAL A 77 3.644 -10.204 -4.464 1.00 2.41 H new ATOM 0 HG12 VAL A 77 4.416 -10.907 -5.905 1.00 2.41 H new ATOM 0 HG13 VAL A 77 4.801 -11.545 -4.289 1.00 2.41 H new ATOM 0 HG21 VAL A 77 4.937 -8.771 -2.918 1.00 31.41 H new ATOM 0 HG22 VAL A 77 6.156 -10.042 -2.664 1.00 31.41 H new ATOM 0 HG23 VAL A 77 6.655 -8.430 -3.229 1.00 31.41 H new ATOM 1256 N ASN A 82 11.588 -7.053 -8.632 1.00 54.12 N ATOM 1257 CA ASN A 82 10.934 -8.125 -9.396 1.00 60.45 C ATOM 1258 C ASN A 82 9.856 -7.568 -10.347 1.00 33.34 C ATOM 1259 O ASN A 82 9.483 -6.401 -10.272 1.00 63.34 O ATOM 1260 CB ASN A 82 10.296 -9.122 -8.420 1.00 31.44 C ATOM 1261 CG ASN A 82 9.856 -10.419 -9.075 1.00 13.14 C ATOM 1262 OD1 ASN A 82 10.465 -10.888 -10.032 1.00 12.23 O ATOM 1263 ND2 ASN A 82 8.786 -10.999 -8.572 1.00 31.21 N ATOM 0 HA ASN A 82 11.690 -8.622 -10.004 1.00 60.45 H new ATOM 0 HB2 ASN A 82 11.009 -9.349 -7.628 1.00 31.44 H new ATOM 0 HB3 ASN A 82 9.433 -8.653 -7.947 1.00 31.44 H new ATOM 0 HD21 ASN A 82 8.438 -11.867 -8.979 1.00 31.21 H new ATOM 0 HD22 ASN A 82 8.305 -10.580 -7.776 1.00 31.21 H new ATOM 1270 N ASN A 83 9.349 -8.408 -11.237 1.00 62.04 N ATOM 1271 CA ASN A 83 8.276 -8.000 -12.145 1.00 4.42 C ATOM 1272 C ASN A 83 6.932 -7.815 -11.409 1.00 23.23 C ATOM 1273 O ASN A 83 6.590 -8.585 -10.522 1.00 63.10 O ATOM 1274 CB ASN A 83 8.116 -9.019 -13.272 1.00 71.33 C ATOM 1275 CG ASN A 83 7.907 -10.432 -12.748 1.00 70.22 C ATOM 1276 OD1 ASN A 83 6.710 -10.728 -12.280 1.00 10.31 O flip ATOM 1277 ND2 ASN A 83 8.833 -11.234 -12.713 1.00 33.11 N flip ATOM 0 H ASN A 83 9.658 -9.373 -11.353 1.00 62.04 H new ATOM 0 HA ASN A 83 8.559 -7.035 -12.565 1.00 4.42 H new ATOM 0 HB2 ASN A 83 7.268 -8.737 -13.897 1.00 71.33 H new ATOM 0 HB3 ASN A 83 9.001 -8.997 -13.907 1.00 71.33 H new ATOM 0 HD21 ASN A 83 9.747 -10.974 -13.083 1.00 33.11 H new ATOM 0 HD22 ASN A 83 8.690 -12.161 -12.313 1.00 33.11 H new ATOM 1284 N ASN A 84 6.215 -6.755 -11.790 1.00 31.35 N ATOM 1285 CA ASN A 84 4.843 -6.434 -11.324 1.00 72.40 C ATOM 1286 C ASN A 84 4.584 -6.681 -9.822 1.00 35.04 C ATOM 1287 O ASN A 84 3.441 -6.894 -9.408 1.00 11.11 O ATOM 1288 CB ASN A 84 3.778 -7.137 -12.195 1.00 60.31 C ATOM 1289 CG ASN A 84 3.814 -8.658 -12.149 1.00 45.53 C ATOM 1290 OD1 ASN A 84 4.205 -9.265 -11.167 1.00 11.42 O ATOM 1291 ND2 ASN A 84 3.380 -9.288 -13.218 1.00 25.33 N ATOM 0 H ASN A 84 6.575 -6.068 -12.452 1.00 31.35 H new ATOM 0 HA ASN A 84 4.755 -5.355 -11.447 1.00 72.40 H new ATOM 0 HB2 ASN A 84 2.791 -6.802 -11.877 1.00 60.31 H new ATOM 0 HB3 ASN A 84 3.906 -6.816 -13.229 1.00 60.31 H new ATOM 0 HD21 ASN A 84 3.365 -10.308 -13.238 1.00 25.33 H new ATOM 0 HD22 ASN A 84 3.058 -8.757 -14.027 1.00 25.33 H new ATOM 1298 N GLY A 85 5.632 -6.601 -9.008 1.00 35.43 N ATOM 1299 CA GLY A 85 5.460 -6.664 -7.562 1.00 35.13 C ATOM 1300 C GLY A 85 5.346 -5.275 -6.942 1.00 5.54 C ATOM 1301 O GLY A 85 6.227 -4.431 -7.136 1.00 73.32 O ATOM 0 H GLY A 85 6.597 -6.494 -9.320 1.00 35.43 H new ATOM 0 HA2 GLY A 85 4.565 -7.241 -7.328 1.00 35.13 H new ATOM 0 HA3 GLY A 85 6.305 -7.191 -7.119 1.00 35.13 H new ATOM 1305 N LEU A 86 4.258 -5.024 -6.215 1.00 35.24 N ATOM 1306 CA LEU A 86 4.037 -3.720 -5.575 1.00 32.23 C ATOM 1307 C LEU A 86 3.568 -3.884 -4.121 1.00 32.41 C ATOM 1308 O LEU A 86 2.548 -4.516 -3.853 1.00 65.34 O ATOM 1309 CB LEU A 86 3.012 -2.901 -6.375 1.00 24.24 C ATOM 1310 CG LEU A 86 2.684 -1.506 -5.808 1.00 62.15 C ATOM 1311 CD1 LEU A 86 3.944 -0.660 -5.655 1.00 21.01 C ATOM 1312 CD2 LEU A 86 1.666 -0.796 -6.696 1.00 43.02 C ATOM 0 H LEU A 86 3.514 -5.703 -6.052 1.00 35.24 H new ATOM 0 HA LEU A 86 4.987 -3.187 -5.564 1.00 32.23 H new ATOM 0 HB2 LEU A 86 3.384 -2.781 -7.392 1.00 24.24 H new ATOM 0 HB3 LEU A 86 2.087 -3.474 -6.439 1.00 24.24 H new ATOM 0 HG LEU A 86 2.250 -1.640 -4.817 1.00 62.15 H new ATOM 0 HD11 LEU A 86 3.679 0.318 -5.253 1.00 21.01 H new ATOM 0 HD12 LEU A 86 4.635 -1.157 -4.975 1.00 21.01 H new ATOM 0 HD13 LEU A 86 4.419 -0.536 -6.628 1.00 21.01 H new ATOM 0 HD21 LEU A 86 1.445 0.188 -6.282 1.00 43.02 H new ATOM 0 HD22 LEU A 86 2.075 -0.683 -7.700 1.00 43.02 H new ATOM 0 HD23 LEU A 86 0.750 -1.385 -6.741 1.00 43.02 H new ATOM 1324 N LEU A 87 4.322 -3.311 -3.187 1.00 11.24 N ATOM 1325 CA LEU A 87 3.994 -3.407 -1.757 1.00 52.34 C ATOM 1326 C LEU A 87 3.600 -2.040 -1.169 1.00 75.14 C ATOM 1327 O LEU A 87 4.232 -1.027 -1.454 1.00 43.33 O ATOM 1328 CB LEU A 87 5.195 -3.980 -0.990 1.00 51.24 C ATOM 1329 CG LEU A 87 4.977 -4.192 0.518 1.00 2.33 C ATOM 1330 CD1 LEU A 87 3.850 -5.191 0.777 1.00 62.15 C ATOM 1331 CD2 LEU A 87 6.273 -4.649 1.183 1.00 35.31 C ATOM 0 H LEU A 87 5.165 -2.774 -3.389 1.00 11.24 H new ATOM 0 HA LEU A 87 3.136 -4.071 -1.653 1.00 52.34 H new ATOM 0 HB2 LEU A 87 5.468 -4.936 -1.438 1.00 51.24 H new ATOM 0 HB3 LEU A 87 6.044 -3.310 -1.126 1.00 51.24 H new ATOM 0 HG LEU A 87 4.681 -3.239 0.957 1.00 2.33 H new ATOM 0 HD11 LEU A 87 3.719 -5.321 1.851 1.00 62.15 H new ATOM 0 HD12 LEU A 87 2.924 -4.816 0.341 1.00 62.15 H new ATOM 0 HD13 LEU A 87 4.102 -6.150 0.324 1.00 62.15 H new ATOM 0 HD21 LEU A 87 6.103 -4.795 2.250 1.00 35.31 H new ATOM 0 HD22 LEU A 87 6.600 -5.588 0.736 1.00 35.31 H new ATOM 0 HD23 LEU A 87 7.043 -3.891 1.039 1.00 35.31 H new ATOM 1343 N LEU A 88 2.557 -2.027 -0.343 1.00 0.11 N ATOM 1344 CA LEU A 88 2.095 -0.804 0.327 1.00 74.24 C ATOM 1345 C LEU A 88 1.986 -1.019 1.846 1.00 54.24 C ATOM 1346 O LEU A 88 1.064 -1.677 2.324 1.00 24.32 O ATOM 1347 CB LEU A 88 0.736 -0.375 -0.251 1.00 61.52 C ATOM 1348 CG LEU A 88 0.058 0.813 0.453 1.00 4.15 C ATOM 1349 CD1 LEU A 88 0.960 2.045 0.431 1.00 44.45 C ATOM 1350 CD2 LEU A 88 -1.299 1.111 -0.186 1.00 61.43 C ATOM 0 H LEU A 88 2.008 -2.856 -0.117 1.00 0.11 H new ATOM 0 HA LEU A 88 2.824 -0.014 0.150 1.00 74.24 H new ATOM 0 HB2 LEU A 88 0.873 -0.121 -1.302 1.00 61.52 H new ATOM 0 HB3 LEU A 88 0.060 -1.229 -0.215 1.00 61.52 H new ATOM 0 HG LEU A 88 -0.111 0.544 1.496 1.00 4.15 H new ATOM 0 HD11 LEU A 88 0.459 2.872 0.935 1.00 44.45 H new ATOM 0 HD12 LEU A 88 1.895 1.821 0.944 1.00 44.45 H new ATOM 0 HD13 LEU A 88 1.171 2.323 -0.602 1.00 44.45 H new ATOM 0 HD21 LEU A 88 -1.764 1.954 0.325 1.00 61.43 H new ATOM 0 HD22 LEU A 88 -1.159 1.356 -1.239 1.00 61.43 H new ATOM 0 HD23 LEU A 88 -1.942 0.235 -0.100 1.00 61.43 H new ATOM 1362 N VAL A 89 2.935 -0.468 2.602 1.00 21.00 N ATOM 1363 CA VAL A 89 2.952 -0.632 4.066 1.00 62.24 C ATOM 1364 C VAL A 89 2.636 0.688 4.796 1.00 12.34 C ATOM 1365 O VAL A 89 3.232 1.725 4.508 1.00 55.24 O ATOM 1366 CB VAL A 89 4.324 -1.168 4.557 1.00 32.53 C ATOM 1367 CG1 VAL A 89 4.338 -1.337 6.079 1.00 33.04 C ATOM 1368 CG2 VAL A 89 4.666 -2.488 3.865 1.00 4.55 C ATOM 0 H VAL A 89 3.702 0.095 2.233 1.00 21.00 H new ATOM 0 HA VAL A 89 2.174 -1.358 4.304 1.00 62.24 H new ATOM 0 HB VAL A 89 5.085 -0.433 4.294 1.00 32.53 H new ATOM 0 HG11 VAL A 89 5.311 -1.714 6.394 1.00 33.04 H new ATOM 0 HG12 VAL A 89 4.150 -0.374 6.554 1.00 33.04 H new ATOM 0 HG13 VAL A 89 3.562 -2.044 6.374 1.00 33.04 H new ATOM 0 HG21 VAL A 89 5.631 -2.847 4.223 1.00 4.55 H new ATOM 0 HG22 VAL A 89 3.897 -3.227 4.091 1.00 4.55 H new ATOM 0 HG23 VAL A 89 4.714 -2.332 2.787 1.00 4.55 H new ATOM 1378 N LEU A 90 1.690 0.631 5.736 1.00 53.43 N ATOM 1379 CA LEU A 90 1.339 1.784 6.579 1.00 75.41 C ATOM 1380 C LEU A 90 1.836 1.588 8.015 1.00 32.21 C ATOM 1381 O LEU A 90 1.580 0.554 8.636 1.00 70.34 O ATOM 1382 CB LEU A 90 -0.186 1.997 6.600 1.00 63.21 C ATOM 1383 CG LEU A 90 -0.704 2.991 7.667 1.00 11.32 C ATOM 1384 CD1 LEU A 90 -0.293 4.427 7.355 1.00 12.21 C ATOM 1385 CD2 LEU A 90 -2.220 2.886 7.820 1.00 44.30 C ATOM 0 H LEU A 90 1.147 -0.209 5.936 1.00 53.43 H new ATOM 0 HA LEU A 90 1.824 2.661 6.151 1.00 75.41 H new ATOM 0 HB2 LEU A 90 -0.500 2.349 5.617 1.00 63.21 H new ATOM 0 HB3 LEU A 90 -0.668 1.033 6.762 1.00 63.21 H new ATOM 0 HG LEU A 90 -0.240 2.716 8.614 1.00 11.32 H new ATOM 0 HD11 LEU A 90 -0.677 5.092 8.129 1.00 12.21 H new ATOM 0 HD12 LEU A 90 0.794 4.496 7.325 1.00 12.21 H new ATOM 0 HD13 LEU A 90 -0.702 4.721 6.388 1.00 12.21 H new ATOM 0 HD21 LEU A 90 -2.559 3.595 8.576 1.00 44.30 H new ATOM 0 HD22 LEU A 90 -2.698 3.114 6.868 1.00 44.30 H new ATOM 0 HD23 LEU A 90 -2.486 1.874 8.126 1.00 44.30 H new ATOM 1397 N VAL A 91 2.545 2.582 8.540 1.00 50.23 N ATOM 1398 CA VAL A 91 2.969 2.573 9.944 1.00 34.44 C ATOM 1399 C VAL A 91 2.130 3.567 10.768 1.00 1.42 C ATOM 1400 O VAL A 91 2.281 4.777 10.620 1.00 61.33 O ATOM 1401 CB VAL A 91 4.472 2.926 10.082 1.00 71.25 C ATOM 1402 CG1 VAL A 91 4.907 2.888 11.545 1.00 44.42 C ATOM 1403 CG2 VAL A 91 5.333 1.988 9.234 1.00 72.51 C ATOM 0 H VAL A 91 2.840 3.407 8.017 1.00 50.23 H new ATOM 0 HA VAL A 91 2.813 1.564 10.326 1.00 34.44 H new ATOM 0 HB VAL A 91 4.615 3.942 9.713 1.00 71.25 H new ATOM 0 HG11 VAL A 91 5.965 3.139 11.617 1.00 44.42 H new ATOM 0 HG12 VAL A 91 4.323 3.609 12.117 1.00 44.42 H new ATOM 0 HG13 VAL A 91 4.743 1.888 11.947 1.00 44.42 H new ATOM 0 HG21 VAL A 91 6.383 2.256 9.348 1.00 72.51 H new ATOM 0 HG22 VAL A 91 5.183 0.960 9.563 1.00 72.51 H new ATOM 0 HG23 VAL A 91 5.047 2.079 8.186 1.00 72.51 H new ATOM 1413 N LEU A 92 1.254 3.047 11.633 1.00 22.24 N ATOM 1414 CA LEU A 92 0.316 3.875 12.417 1.00 45.43 C ATOM 1415 C LEU A 92 1.033 4.953 13.253 1.00 5.43 C ATOM 1416 O LEU A 92 0.742 6.142 13.128 1.00 20.11 O ATOM 1417 CB LEU A 92 -0.532 2.976 13.333 1.00 31.31 C ATOM 1418 CG LEU A 92 -1.507 3.705 14.277 1.00 22.32 C ATOM 1419 CD1 LEU A 92 -2.520 4.527 13.485 1.00 73.13 C ATOM 1420 CD2 LEU A 92 -2.213 2.709 15.195 1.00 55.42 C ATOM 0 H LEU A 92 1.171 2.047 11.813 1.00 22.24 H new ATOM 0 HA LEU A 92 -0.326 4.396 11.707 1.00 45.43 H new ATOM 0 HB2 LEU A 92 -1.106 2.292 12.708 1.00 31.31 H new ATOM 0 HB3 LEU A 92 0.141 2.368 13.937 1.00 31.31 H new ATOM 0 HG LEU A 92 -0.930 4.391 14.898 1.00 22.32 H new ATOM 0 HD11 LEU A 92 -3.197 5.032 14.174 1.00 73.13 H new ATOM 0 HD12 LEU A 92 -1.995 5.269 12.883 1.00 73.13 H new ATOM 0 HD13 LEU A 92 -3.092 3.868 12.832 1.00 73.13 H new ATOM 0 HD21 LEU A 92 -2.897 3.243 15.854 1.00 55.42 H new ATOM 0 HD22 LEU A 92 -2.773 1.994 14.593 1.00 55.42 H new ATOM 0 HD23 LEU A 92 -1.473 2.178 15.794 1.00 55.42 H new ATOM 1432 N ASP A 93 1.972 4.528 14.095 1.00 5.33 N ATOM 1433 CA ASP A 93 2.717 5.444 14.973 1.00 4.34 C ATOM 1434 C ASP A 93 3.476 6.530 14.187 1.00 61.23 C ATOM 1435 O ASP A 93 3.767 7.606 14.715 1.00 31.11 O ATOM 1436 CB ASP A 93 3.689 4.648 15.854 1.00 22.30 C ATOM 1437 CG ASP A 93 2.975 3.909 16.971 1.00 73.35 C ATOM 1438 OD1 ASP A 93 2.220 2.961 16.680 1.00 42.33 O ATOM 1439 OD2 ASP A 93 3.151 4.293 18.150 1.00 32.20 O ATOM 0 H ASP A 93 2.241 3.549 14.192 1.00 5.33 H new ATOM 0 HA ASP A 93 1.988 5.957 15.600 1.00 4.34 H new ATOM 0 HB2 ASP A 93 4.233 3.933 15.237 1.00 22.30 H new ATOM 0 HB3 ASP A 93 4.427 5.326 16.283 1.00 22.30 H new ATOM 1444 N GLN A 94 3.794 6.241 12.929 1.00 25.24 N ATOM 1445 CA GLN A 94 4.466 7.209 12.050 1.00 3.12 C ATOM 1446 C GLN A 94 3.483 7.835 11.041 1.00 62.30 C ATOM 1447 O GLN A 94 3.843 8.762 10.317 1.00 41.01 O ATOM 1448 CB GLN A 94 5.618 6.521 11.298 1.00 1.23 C ATOM 1449 CG GLN A 94 6.882 6.319 12.131 1.00 21.31 C ATOM 1450 CD GLN A 94 7.884 5.393 11.456 1.00 11.10 C ATOM 1451 OE1 GLN A 94 8.675 5.812 10.620 1.00 33.54 O ATOM 1452 NE2 GLN A 94 7.877 4.130 11.830 1.00 53.42 N ATOM 0 H GLN A 94 3.599 5.342 12.488 1.00 25.24 H new ATOM 0 HA GLN A 94 4.862 8.010 12.674 1.00 3.12 H new ATOM 0 HB2 GLN A 94 5.274 5.551 10.940 1.00 1.23 H new ATOM 0 HB3 GLN A 94 5.868 7.115 10.419 1.00 1.23 H new ATOM 0 HG2 GLN A 94 7.351 7.286 12.313 1.00 21.31 H new ATOM 0 HG3 GLN A 94 6.610 5.908 13.103 1.00 21.31 H new ATOM 0 HE21 GLN A 94 7.207 3.809 12.529 1.00 53.42 H new ATOM 0 HE22 GLN A 94 8.542 3.473 11.421 1.00 53.42 H new ATOM 1461 N ARG A 95 2.248 7.312 11.018 1.00 44.04 N ATOM 1462 CA ARG A 95 1.196 7.704 10.055 1.00 13.21 C ATOM 1463 C ARG A 95 1.751 8.085 8.670 1.00 31.25 C ATOM 1464 O ARG A 95 1.408 9.125 8.104 1.00 50.40 O ATOM 1465 CB ARG A 95 0.280 8.810 10.624 1.00 75.40 C ATOM 1466 CG ARG A 95 1.001 10.019 11.213 1.00 31.44 C ATOM 1467 CD ARG A 95 0.010 11.102 11.636 1.00 14.12 C ATOM 1468 NE ARG A 95 0.652 12.178 12.386 1.00 51.14 N ATOM 1469 CZ ARG A 95 1.062 13.302 11.864 1.00 23.23 C ATOM 1470 NH1 ARG A 95 1.009 13.500 10.586 1.00 44.40 N ATOM 1471 NH2 ARG A 95 1.554 14.222 12.627 1.00 40.21 N ATOM 0 H ARG A 95 1.943 6.594 11.675 1.00 44.04 H new ATOM 0 HA ARG A 95 0.586 6.814 9.902 1.00 13.21 H new ATOM 0 HB2 ARG A 95 -0.382 9.155 9.829 1.00 75.40 H new ATOM 0 HB3 ARG A 95 -0.352 8.373 11.397 1.00 75.40 H new ATOM 0 HG2 ARG A 95 1.593 9.709 12.074 1.00 31.44 H new ATOM 0 HG3 ARG A 95 1.696 10.425 10.478 1.00 31.44 H new ATOM 0 HD2 ARG A 95 -0.472 11.517 10.750 1.00 14.12 H new ATOM 0 HD3 ARG A 95 -0.775 10.655 12.246 1.00 14.12 H new ATOM 0 HE ARG A 95 0.790 12.042 13.387 1.00 51.14 H new ATOM 0 HH11 ARG A 95 0.643 12.772 9.972 1.00 44.40 H new ATOM 0 HH12 ARG A 95 1.333 14.384 10.193 1.00 44.40 H new ATOM 0 HH21 ARG A 95 1.621 14.068 13.633 1.00 40.21 H new ATOM 0 HH22 ARG A 95 1.875 15.102 12.223 1.00 40.21 H new ATOM 1485 N ARG A 96 2.601 7.212 8.131 1.00 10.42 N ATOM 1486 CA ARG A 96 3.141 7.368 6.777 1.00 62.13 C ATOM 1487 C ARG A 96 3.244 6.003 6.084 1.00 23.15 C ATOM 1488 O ARG A 96 3.345 4.967 6.747 1.00 62.34 O ATOM 1489 CB ARG A 96 4.515 8.058 6.806 1.00 22.11 C ATOM 1490 CG ARG A 96 5.601 7.282 7.551 1.00 60.51 C ATOM 1491 CD ARG A 96 6.930 8.035 7.536 1.00 51.33 C ATOM 1492 NE ARG A 96 7.993 7.317 8.243 1.00 2.11 N ATOM 1493 CZ ARG A 96 9.272 7.528 8.055 1.00 4.04 C ATOM 1494 NH1 ARG A 96 9.683 8.396 7.188 1.00 64.42 N ATOM 1495 NH2 ARG A 96 10.147 6.869 8.738 1.00 13.23 N ATOM 0 H ARG A 96 2.935 6.379 8.616 1.00 10.42 H new ATOM 0 HA ARG A 96 2.457 8.000 6.210 1.00 62.13 H new ATOM 0 HB2 ARG A 96 4.845 8.225 5.781 1.00 22.11 H new ATOM 0 HB3 ARG A 96 4.405 9.039 7.269 1.00 22.11 H new ATOM 0 HG2 ARG A 96 5.288 7.113 8.581 1.00 60.51 H new ATOM 0 HG3 ARG A 96 5.731 6.302 7.092 1.00 60.51 H new ATOM 0 HD2 ARG A 96 7.236 8.204 6.504 1.00 51.33 H new ATOM 0 HD3 ARG A 96 6.793 9.015 7.993 1.00 51.33 H new ATOM 0 HE ARG A 96 7.720 6.609 8.924 1.00 2.11 H new ATOM 0 HH11 ARG A 96 9.007 8.928 6.639 1.00 64.42 H new ATOM 0 HH12 ARG A 96 10.683 8.549 7.054 1.00 64.42 H new ATOM 0 HH21 ARG A 96 9.843 6.181 9.427 1.00 13.23 H new ATOM 0 HH22 ARG A 96 11.142 7.036 8.589 1.00 13.23 H new ATOM 1509 N VAL A 97 3.217 6.004 4.756 1.00 64.10 N ATOM 1510 CA VAL A 97 3.226 4.757 3.981 1.00 50.03 C ATOM 1511 C VAL A 97 4.324 4.772 2.906 1.00 72.11 C ATOM 1512 O VAL A 97 4.964 5.797 2.672 1.00 62.44 O ATOM 1513 CB VAL A 97 1.859 4.502 3.290 1.00 53.22 C ATOM 1514 CG1 VAL A 97 0.710 4.642 4.274 1.00 62.23 C ATOM 1515 CG2 VAL A 97 1.662 5.434 2.097 1.00 22.42 C ATOM 0 H VAL A 97 3.189 6.851 4.189 1.00 64.10 H new ATOM 0 HA VAL A 97 3.424 3.955 4.692 1.00 50.03 H new ATOM 0 HB VAL A 97 1.865 3.476 2.922 1.00 53.22 H new ATOM 0 HG11 VAL A 97 -0.234 4.458 3.760 1.00 62.23 H new ATOM 0 HG12 VAL A 97 0.831 3.919 5.080 1.00 62.23 H new ATOM 0 HG13 VAL A 97 0.707 5.650 4.688 1.00 62.23 H new ATOM 0 HG21 VAL A 97 0.696 5.232 1.633 1.00 22.42 H new ATOM 0 HG22 VAL A 97 1.693 6.470 2.435 1.00 22.42 H new ATOM 0 HG23 VAL A 97 2.456 5.266 1.369 1.00 22.42 H new ATOM 1525 N ARG A 98 4.534 3.629 2.259 1.00 74.42 N ATOM 1526 CA ARG A 98 5.495 3.529 1.156 1.00 10.22 C ATOM 1527 C ARG A 98 5.070 2.476 0.123 1.00 62.33 C ATOM 1528 O ARG A 98 4.692 1.359 0.482 1.00 50.12 O ATOM 1529 CB ARG A 98 6.901 3.193 1.683 1.00 3.32 C ATOM 1530 CG ARG A 98 7.900 2.830 0.581 1.00 31.55 C ATOM 1531 CD ARG A 98 9.299 2.566 1.129 1.00 41.23 C ATOM 1532 NE ARG A 98 10.169 1.948 0.127 1.00 24.24 N ATOM 1533 CZ ARG A 98 11.036 2.595 -0.602 1.00 21.01 C ATOM 1534 NH1 ARG A 98 11.160 3.882 -0.501 1.00 2.42 N ATOM 1535 NH2 ARG A 98 11.778 1.946 -1.439 1.00 55.30 N ATOM 0 H ARG A 98 4.053 2.756 2.477 1.00 74.42 H new ATOM 0 HA ARG A 98 5.516 4.502 0.665 1.00 10.22 H new ATOM 0 HB2 ARG A 98 7.284 4.047 2.241 1.00 3.32 H new ATOM 0 HB3 ARG A 98 6.828 2.361 2.383 1.00 3.32 H new ATOM 0 HG2 ARG A 98 7.547 1.945 0.051 1.00 31.55 H new ATOM 0 HG3 ARG A 98 7.945 3.640 -0.147 1.00 31.55 H new ATOM 0 HD2 ARG A 98 9.741 3.504 1.464 1.00 41.23 H new ATOM 0 HD3 ARG A 98 9.231 1.916 2.001 1.00 41.23 H new ATOM 0 HE ARG A 98 10.092 0.940 -0.011 1.00 24.24 H new ATOM 0 HH11 ARG A 98 10.576 4.401 0.155 1.00 2.42 H new ATOM 0 HH12 ARG A 98 11.842 4.375 -1.077 1.00 2.42 H new ATOM 0 HH21 ARG A 98 11.683 0.934 -1.526 1.00 55.30 H new ATOM 0 HH22 ARG A 98 12.458 2.446 -2.012 1.00 55.30 H new ATOM 1549 N PHE A 99 5.135 2.851 -1.155 1.00 44.15 N ATOM 1550 CA PHE A 99 4.923 1.912 -2.263 1.00 72.02 C ATOM 1551 C PHE A 99 6.270 1.364 -2.767 1.00 74.12 C ATOM 1552 O PHE A 99 7.081 2.109 -3.316 1.00 34.22 O ATOM 1553 CB PHE A 99 4.196 2.600 -3.429 1.00 45.51 C ATOM 1554 CG PHE A 99 2.780 3.023 -3.136 1.00 0.35 C ATOM 1555 CD1 PHE A 99 1.729 2.136 -3.308 1.00 43.15 C ATOM 1556 CD2 PHE A 99 2.499 4.313 -2.708 1.00 12.02 C ATOM 1557 CE1 PHE A 99 0.427 2.527 -3.062 1.00 4.10 C ATOM 1558 CE2 PHE A 99 1.199 4.707 -2.458 1.00 63.10 C ATOM 1559 CZ PHE A 99 0.161 3.813 -2.636 1.00 62.53 C ATOM 0 H PHE A 99 5.334 3.806 -1.452 1.00 44.15 H new ATOM 0 HA PHE A 99 4.310 1.091 -1.891 1.00 72.02 H new ATOM 0 HB2 PHE A 99 4.768 3.479 -3.726 1.00 45.51 H new ATOM 0 HB3 PHE A 99 4.187 1.922 -4.283 1.00 45.51 H new ATOM 0 HD1 PHE A 99 1.930 1.128 -3.638 1.00 43.15 H new ATOM 0 HD2 PHE A 99 3.306 5.017 -2.569 1.00 12.02 H new ATOM 0 HE1 PHE A 99 -0.383 1.827 -3.203 1.00 4.10 H new ATOM 0 HE2 PHE A 99 0.994 5.713 -2.124 1.00 63.10 H new ATOM 0 HZ PHE A 99 -0.856 4.119 -2.442 1.00 62.53 H new ATOM 1569 N GLU A 100 6.513 0.075 -2.562 1.00 43.44 N ATOM 1570 CA GLU A 100 7.739 -0.567 -3.051 1.00 50.41 C ATOM 1571 C GLU A 100 7.494 -1.217 -4.423 1.00 53.11 C ATOM 1572 O GLU A 100 6.751 -2.196 -4.530 1.00 74.22 O ATOM 1573 CB GLU A 100 8.212 -1.624 -2.038 1.00 41.12 C ATOM 1574 CG GLU A 100 9.588 -2.220 -2.340 1.00 42.11 C ATOM 1575 CD GLU A 100 10.709 -1.192 -2.254 1.00 23.24 C ATOM 1576 OE1 GLU A 100 10.932 -0.642 -1.151 1.00 2.44 O ATOM 1577 OE2 GLU A 100 11.363 -0.920 -3.288 1.00 53.21 O ATOM 0 H GLU A 100 5.881 -0.550 -2.062 1.00 43.44 H new ATOM 0 HA GLU A 100 8.514 0.191 -3.163 1.00 50.41 H new ATOM 0 HB2 GLU A 100 8.235 -1.173 -1.046 1.00 41.12 H new ATOM 0 HB3 GLU A 100 7.480 -2.431 -2.005 1.00 41.12 H new ATOM 0 HG2 GLU A 100 9.790 -3.030 -1.639 1.00 42.11 H new ATOM 0 HG3 GLU A 100 9.578 -2.657 -3.338 1.00 42.11 H new ATOM 1584 N THR A 101 8.115 -0.668 -5.468 1.00 51.03 N ATOM 1585 CA THR A 101 7.932 -1.171 -6.841 1.00 13.04 C ATOM 1586 C THR A 101 9.051 -2.107 -7.288 1.00 12.04 C ATOM 1587 O THR A 101 10.215 -1.941 -6.917 1.00 22.24 O ATOM 1588 CB THR A 101 7.847 -0.022 -7.881 1.00 12.50 C ATOM 1589 OG1 THR A 101 8.728 1.052 -7.514 1.00 64.24 O ATOM 1590 CG2 THR A 101 6.422 0.488 -8.036 1.00 64.31 C ATOM 0 H THR A 101 8.751 0.126 -5.395 1.00 51.03 H new ATOM 0 HA THR A 101 6.991 -1.720 -6.804 1.00 13.04 H new ATOM 0 HB THR A 101 8.161 -0.423 -8.845 1.00 12.50 H new ATOM 0 HG1 THR A 101 8.665 1.769 -8.180 1.00 64.24 H new ATOM 0 HG21 THR A 101 6.401 1.292 -8.772 1.00 64.31 H new ATOM 0 HG22 THR A 101 5.778 -0.326 -8.369 1.00 64.31 H new ATOM 0 HG23 THR A 101 6.064 0.864 -7.078 1.00 64.31 H new ATOM 1598 N GLY A 102 8.677 -3.095 -8.091 1.00 2.13 N ATOM 1599 CA GLY A 102 9.653 -3.892 -8.811 1.00 14.31 C ATOM 1600 C GLY A 102 9.850 -3.405 -10.239 1.00 42.52 C ATOM 1601 O GLY A 102 9.265 -2.401 -10.653 1.00 4.23 O ATOM 0 H GLY A 102 7.706 -3.361 -8.258 1.00 2.13 H new ATOM 0 HA2 GLY A 102 10.606 -3.860 -8.283 1.00 14.31 H new ATOM 0 HA3 GLY A 102 9.331 -4.933 -8.825 1.00 14.31 H new ATOM 1605 N TYR A 103 10.631 -4.147 -11.011 1.00 42.11 N ATOM 1606 CA TYR A 103 10.985 -3.750 -12.369 1.00 30.13 C ATOM 1607 C TYR A 103 9.755 -3.682 -13.290 1.00 62.52 C ATOM 1608 O TYR A 103 9.715 -2.902 -14.244 1.00 11.02 O ATOM 1609 CB TYR A 103 12.020 -4.732 -12.934 1.00 42.41 C ATOM 1610 CG TYR A 103 12.180 -4.640 -14.434 1.00 1.11 C ATOM 1611 CD1 TYR A 103 13.031 -3.708 -15.008 1.00 40.54 C ATOM 1612 CD2 TYR A 103 11.459 -5.479 -15.272 1.00 3.33 C ATOM 1613 CE1 TYR A 103 13.156 -3.608 -16.378 1.00 22.34 C ATOM 1614 CE2 TYR A 103 11.578 -5.394 -16.641 1.00 33.24 C ATOM 1615 CZ TYR A 103 12.431 -4.456 -17.192 1.00 52.11 C ATOM 1616 OH TYR A 103 12.545 -4.349 -18.562 1.00 21.45 O ATOM 0 H TYR A 103 11.036 -5.036 -10.717 1.00 42.11 H new ATOM 0 HA TYR A 103 11.410 -2.747 -12.328 1.00 30.13 H new ATOM 0 HB2 TYR A 103 12.984 -4.544 -12.461 1.00 42.41 H new ATOM 0 HB3 TYR A 103 11.728 -5.748 -12.669 1.00 42.41 H new ATOM 0 HD1 TYR A 103 13.605 -3.050 -14.372 1.00 40.54 H new ATOM 0 HD2 TYR A 103 10.792 -6.212 -14.842 1.00 3.33 H new ATOM 0 HE1 TYR A 103 13.816 -2.871 -16.811 1.00 22.34 H new ATOM 0 HE2 TYR A 103 11.010 -6.055 -17.279 1.00 33.24 H new ATOM 0 HH TYR A 103 11.971 -5.018 -18.991 1.00 21.45 H new ATOM 1626 N GLY A 104 8.738 -4.480 -12.980 1.00 2.44 N ATOM 1627 CA GLY A 104 7.592 -4.617 -13.874 1.00 22.32 C ATOM 1628 C GLY A 104 6.671 -3.402 -13.880 1.00 40.53 C ATOM 1629 O GLY A 104 5.759 -3.314 -14.698 1.00 22.23 O ATOM 0 H GLY A 104 8.683 -5.036 -12.127 1.00 2.44 H new ATOM 0 HA2 GLY A 104 7.952 -4.794 -14.887 1.00 22.32 H new ATOM 0 HA3 GLY A 104 7.017 -5.496 -13.582 1.00 22.32 H new ATOM 1633 N LEU A 105 6.904 -2.467 -12.961 1.00 61.10 N ATOM 1634 CA LEU A 105 6.031 -1.297 -12.812 1.00 5.21 C ATOM 1635 C LEU A 105 6.811 0.024 -12.800 1.00 73.31 C ATOM 1636 O LEU A 105 6.222 1.088 -12.618 1.00 14.35 O ATOM 1637 CB LEU A 105 5.203 -1.440 -11.528 1.00 43.45 C ATOM 1638 CG LEU A 105 4.092 -2.500 -11.595 1.00 2.21 C ATOM 1639 CD1 LEU A 105 3.505 -2.773 -10.213 1.00 52.14 C ATOM 1640 CD2 LEU A 105 2.998 -2.065 -12.571 1.00 51.23 C ATOM 0 H LEU A 105 7.687 -2.494 -12.308 1.00 61.10 H new ATOM 0 HA LEU A 105 5.372 -1.263 -13.680 1.00 5.21 H new ATOM 0 HB2 LEU A 105 5.874 -1.688 -10.705 1.00 43.45 H new ATOM 0 HB3 LEU A 105 4.753 -0.476 -11.293 1.00 43.45 H new ATOM 0 HG LEU A 105 4.532 -3.429 -11.958 1.00 2.21 H new ATOM 0 HD11 LEU A 105 2.722 -3.527 -10.293 1.00 52.14 H new ATOM 0 HD12 LEU A 105 4.290 -3.134 -9.549 1.00 52.14 H new ATOM 0 HD13 LEU A 105 3.083 -1.853 -9.809 1.00 52.14 H new ATOM 0 HD21 LEU A 105 2.219 -2.826 -12.607 1.00 51.23 H new ATOM 0 HD22 LEU A 105 2.568 -1.121 -12.238 1.00 51.23 H new ATOM 0 HD23 LEU A 105 3.427 -1.937 -13.565 1.00 51.23 H new ATOM 1652 N GLU A 106 8.124 -0.038 -13.021 1.00 33.40 N ATOM 1653 CA GLU A 106 8.954 1.175 -13.044 1.00 32.04 C ATOM 1654 C GLU A 106 8.513 2.127 -14.169 1.00 40.22 C ATOM 1655 O GLU A 106 8.451 3.344 -13.981 1.00 31.30 O ATOM 1656 CB GLU A 106 10.436 0.815 -13.216 1.00 64.34 C ATOM 1657 CG GLU A 106 11.006 -0.024 -12.074 1.00 61.22 C ATOM 1658 CD GLU A 106 12.502 -0.266 -12.216 1.00 12.44 C ATOM 1659 OE1 GLU A 106 12.895 -1.127 -13.027 1.00 1.12 O ATOM 1660 OE2 GLU A 106 13.295 0.426 -11.535 1.00 52.13 O ATOM 0 H GLU A 106 8.636 -0.905 -13.186 1.00 33.40 H new ATOM 0 HA GLU A 106 8.822 1.684 -12.089 1.00 32.04 H new ATOM 0 HB2 GLU A 106 10.561 0.270 -14.152 1.00 64.34 H new ATOM 0 HB3 GLU A 106 11.015 1.734 -13.303 1.00 64.34 H new ATOM 0 HG2 GLU A 106 10.811 0.479 -11.127 1.00 61.22 H new ATOM 0 HG3 GLU A 106 10.488 -0.983 -12.039 1.00 61.22 H new ATOM 1667 N GLY A 107 8.208 1.563 -15.338 1.00 23.15 N ATOM 1668 CA GLY A 107 7.716 2.359 -16.460 1.00 33.34 C ATOM 1669 C GLY A 107 6.353 3.002 -16.192 1.00 62.23 C ATOM 1670 O GLY A 107 6.000 4.008 -16.810 1.00 43.22 O ATOM 0 H GLY A 107 8.292 0.565 -15.531 1.00 23.15 H new ATOM 0 HA2 GLY A 107 8.441 3.141 -16.688 1.00 33.34 H new ATOM 0 HA3 GLY A 107 7.644 1.724 -17.343 1.00 33.34 H new ATOM 1674 N TYR A 108 5.589 2.418 -15.267 1.00 61.00 N ATOM 1675 CA TYR A 108 4.262 2.939 -14.901 1.00 3.13 C ATOM 1676 C TYR A 108 4.342 3.910 -13.712 1.00 12.23 C ATOM 1677 O TYR A 108 4.081 5.106 -13.858 1.00 73.21 O ATOM 1678 CB TYR A 108 3.307 1.784 -14.561 1.00 32.43 C ATOM 1679 CG TYR A 108 2.832 0.994 -15.765 1.00 50.23 C ATOM 1680 CD1 TYR A 108 3.559 -0.087 -16.254 1.00 4.14 C ATOM 1681 CD2 TYR A 108 1.644 1.329 -16.409 1.00 0.12 C ATOM 1682 CE1 TYR A 108 3.118 -0.806 -17.350 1.00 75.33 C ATOM 1683 CE2 TYR A 108 1.198 0.615 -17.504 1.00 1.11 C ATOM 1684 CZ TYR A 108 1.936 -0.451 -17.971 1.00 33.34 C ATOM 1685 OH TYR A 108 1.493 -1.164 -19.066 1.00 73.41 O ATOM 0 H TYR A 108 5.864 1.581 -14.754 1.00 61.00 H new ATOM 0 HA TYR A 108 3.879 3.486 -15.762 1.00 3.13 H new ATOM 0 HB2 TYR A 108 3.807 1.106 -13.870 1.00 32.43 H new ATOM 0 HB3 TYR A 108 2.439 2.187 -14.040 1.00 32.43 H new ATOM 0 HD1 TYR A 108 4.482 -0.369 -15.770 1.00 4.14 H new ATOM 0 HD2 TYR A 108 1.061 2.162 -16.046 1.00 0.12 H new ATOM 0 HE1 TYR A 108 3.695 -1.641 -17.719 1.00 75.33 H new ATOM 0 HE2 TYR A 108 0.275 0.891 -17.992 1.00 1.11 H new ATOM 0 HH TYR A 108 0.646 -0.785 -19.382 1.00 73.41 H new ATOM 1695 N LEU A 109 4.700 3.390 -12.534 1.00 3.33 N ATOM 1696 CA LEU A 109 4.744 4.200 -11.310 1.00 2.35 C ATOM 1697 C LEU A 109 6.170 4.288 -10.732 1.00 44.12 C ATOM 1698 O LEU A 109 6.606 3.397 -10.000 1.00 1.12 O ATOM 1699 CB LEU A 109 3.795 3.628 -10.241 1.00 65.22 C ATOM 1700 CG LEU A 109 2.356 3.322 -10.706 1.00 60.41 C ATOM 1701 CD1 LEU A 109 2.236 1.882 -11.208 1.00 73.05 C ATOM 1702 CD2 LEU A 109 1.353 3.596 -9.588 1.00 15.52 C ATOM 0 H LEU A 109 4.963 2.414 -12.401 1.00 3.33 H new ATOM 0 HA LEU A 109 4.421 5.204 -11.583 1.00 2.35 H new ATOM 0 HB2 LEU A 109 4.232 2.709 -9.850 1.00 65.22 H new ATOM 0 HB3 LEU A 109 3.745 4.335 -9.413 1.00 65.22 H new ATOM 0 HG LEU A 109 2.123 3.987 -11.538 1.00 60.41 H new ATOM 0 HD11 LEU A 109 1.212 1.693 -11.530 1.00 73.05 H new ATOM 0 HD12 LEU A 109 2.914 1.732 -12.048 1.00 73.05 H new ATOM 0 HD13 LEU A 109 2.497 1.194 -10.404 1.00 73.05 H new ATOM 0 HD21 LEU A 109 0.346 3.373 -9.940 1.00 15.52 H new ATOM 0 HD22 LEU A 109 1.585 2.967 -8.729 1.00 15.52 H new ATOM 0 HD23 LEU A 109 1.411 4.645 -9.296 1.00 15.52 H new ATOM 1714 N PRO A 110 6.923 5.355 -11.069 1.00 64.11 N ATOM 1715 CA PRO A 110 8.254 5.603 -10.490 1.00 72.02 C ATOM 1716 C PRO A 110 8.181 6.225 -9.083 1.00 20.02 C ATOM 1717 O PRO A 110 7.100 6.581 -8.601 1.00 12.44 O ATOM 1718 CB PRO A 110 8.876 6.589 -11.486 1.00 32.34 C ATOM 1719 CG PRO A 110 7.712 7.361 -12.010 1.00 22.03 C ATOM 1720 CD PRO A 110 6.554 6.388 -12.057 1.00 10.23 C ATOM 0 HA PRO A 110 8.825 4.684 -10.355 1.00 72.02 H new ATOM 0 HB2 PRO A 110 9.601 7.242 -11.000 1.00 32.34 H new ATOM 0 HB3 PRO A 110 9.402 6.068 -12.286 1.00 32.34 H new ATOM 0 HG2 PRO A 110 7.483 8.209 -11.364 1.00 22.03 H new ATOM 0 HG3 PRO A 110 7.924 7.763 -13.001 1.00 22.03 H new ATOM 0 HD2 PRO A 110 5.613 6.873 -11.797 1.00 10.23 H new ATOM 0 HD3 PRO A 110 6.429 5.963 -13.053 1.00 10.23 H new ATOM 1728 N ASP A 111 9.343 6.380 -8.442 1.00 54.33 N ATOM 1729 CA ASP A 111 9.430 6.930 -7.081 1.00 14.45 C ATOM 1730 C ASP A 111 8.664 8.260 -6.937 1.00 42.33 C ATOM 1731 O ASP A 111 7.942 8.470 -5.961 1.00 11.23 O ATOM 1732 CB ASP A 111 10.901 7.133 -6.702 1.00 32.31 C ATOM 1733 CG ASP A 111 11.706 5.850 -6.807 1.00 74.33 C ATOM 1734 OD1 ASP A 111 12.046 5.450 -7.942 1.00 14.43 O ATOM 1735 OD2 ASP A 111 12.006 5.237 -5.762 1.00 42.20 O ATOM 0 H ASP A 111 10.246 6.130 -8.846 1.00 54.33 H new ATOM 0 HA ASP A 111 8.964 6.213 -6.406 1.00 14.45 H new ATOM 0 HB2 ASP A 111 11.340 7.889 -7.353 1.00 32.31 H new ATOM 0 HB3 ASP A 111 10.962 7.515 -5.683 1.00 32.31 H new ATOM 1740 N GLY A 112 8.826 9.152 -7.915 1.00 73.23 N ATOM 1741 CA GLY A 112 8.144 10.443 -7.882 1.00 61.21 C ATOM 1742 C GLY A 112 6.622 10.328 -7.845 1.00 52.43 C ATOM 1743 O GLY A 112 5.967 10.943 -7.000 1.00 55.10 O ATOM 0 H GLY A 112 9.418 9.005 -8.732 1.00 73.23 H new ATOM 0 HA2 GLY A 112 8.480 11.000 -7.007 1.00 61.21 H new ATOM 0 HA3 GLY A 112 8.435 11.021 -8.759 1.00 61.21 H new ATOM 1747 N LEU A 113 6.060 9.533 -8.757 1.00 21.21 N ATOM 1748 CA LEU A 113 4.607 9.321 -8.815 1.00 13.43 C ATOM 1749 C LEU A 113 4.079 8.698 -7.514 1.00 64.54 C ATOM 1750 O LEU A 113 3.107 9.182 -6.931 1.00 22.34 O ATOM 1751 CB LEU A 113 4.246 8.431 -10.018 1.00 51.43 C ATOM 1752 CG LEU A 113 2.761 8.033 -10.134 1.00 4.33 C ATOM 1753 CD1 LEU A 113 1.864 9.269 -10.127 1.00 40.05 C ATOM 1754 CD2 LEU A 113 2.520 7.204 -11.395 1.00 24.33 C ATOM 0 H LEU A 113 6.586 9.024 -9.467 1.00 21.21 H new ATOM 0 HA LEU A 113 4.131 10.294 -8.937 1.00 13.43 H new ATOM 0 HB2 LEU A 113 4.536 8.951 -10.931 1.00 51.43 H new ATOM 0 HB3 LEU A 113 4.844 7.521 -9.966 1.00 51.43 H new ATOM 0 HG LEU A 113 2.507 7.423 -9.267 1.00 4.33 H new ATOM 0 HD11 LEU A 113 0.821 8.962 -10.210 1.00 40.05 H new ATOM 0 HD12 LEU A 113 2.008 9.818 -9.196 1.00 40.05 H new ATOM 0 HD13 LEU A 113 2.122 9.910 -10.970 1.00 40.05 H new ATOM 0 HD21 LEU A 113 1.466 6.934 -11.457 1.00 24.33 H new ATOM 0 HD22 LEU A 113 2.797 7.788 -12.273 1.00 24.33 H new ATOM 0 HD23 LEU A 113 3.125 6.298 -11.356 1.00 24.33 H new ATOM 1766 N LEU A 114 4.736 7.630 -7.064 1.00 23.11 N ATOM 1767 CA LEU A 114 4.367 6.961 -5.808 1.00 41.12 C ATOM 1768 C LEU A 114 4.388 7.943 -4.628 1.00 3.21 C ATOM 1769 O LEU A 114 3.437 8.019 -3.850 1.00 43.33 O ATOM 1770 CB LEU A 114 5.327 5.793 -5.535 1.00 73.43 C ATOM 1771 CG LEU A 114 5.326 4.684 -6.599 1.00 35.14 C ATOM 1772 CD1 LEU A 114 6.393 3.638 -6.289 1.00 63.15 C ATOM 1773 CD2 LEU A 114 3.943 4.039 -6.707 1.00 54.43 C ATOM 0 H LEU A 114 5.528 7.206 -7.548 1.00 23.11 H new ATOM 0 HA LEU A 114 3.351 6.579 -5.913 1.00 41.12 H new ATOM 0 HB2 LEU A 114 6.339 6.188 -5.446 1.00 73.43 H new ATOM 0 HB3 LEU A 114 5.072 5.351 -4.572 1.00 73.43 H new ATOM 0 HG LEU A 114 5.564 5.134 -7.563 1.00 35.14 H new ATOM 0 HD11 LEU A 114 6.375 2.862 -7.054 1.00 63.15 H new ATOM 0 HD12 LEU A 114 7.374 4.112 -6.276 1.00 63.15 H new ATOM 0 HD13 LEU A 114 6.193 3.191 -5.315 1.00 63.15 H new ATOM 0 HD21 LEU A 114 3.965 3.257 -7.466 1.00 54.43 H new ATOM 0 HD22 LEU A 114 3.668 3.605 -5.746 1.00 54.43 H new ATOM 0 HD23 LEU A 114 3.210 4.795 -6.986 1.00 54.43 H new ATOM 1785 N SER A 115 5.476 8.705 -4.516 1.00 41.21 N ATOM 1786 CA SER A 115 5.622 9.706 -3.449 1.00 64.34 C ATOM 1787 C SER A 115 4.535 10.783 -3.541 1.00 11.53 C ATOM 1788 O SER A 115 4.041 11.271 -2.522 1.00 3.25 O ATOM 1789 CB SER A 115 7.007 10.368 -3.513 1.00 20.14 C ATOM 1790 OG SER A 115 8.048 9.419 -3.319 1.00 33.22 O ATOM 0 H SER A 115 6.273 8.651 -5.150 1.00 41.21 H new ATOM 0 HA SER A 115 5.515 9.185 -2.497 1.00 64.34 H new ATOM 0 HB2 SER A 115 7.134 10.856 -4.479 1.00 20.14 H new ATOM 0 HB3 SER A 115 7.075 11.145 -2.752 1.00 20.14 H new ATOM 0 HG SER A 115 8.215 8.941 -4.158 1.00 33.22 H new ATOM 1796 N ARG A 116 4.162 11.151 -4.769 1.00 75.51 N ATOM 1797 CA ARG A 116 3.110 12.149 -4.984 1.00 54.15 C ATOM 1798 C ARG A 116 1.752 11.632 -4.487 1.00 52.11 C ATOM 1799 O ARG A 116 1.067 12.313 -3.728 1.00 41.22 O ATOM 1800 CB ARG A 116 3.031 12.547 -6.468 1.00 52.32 C ATOM 1801 CG ARG A 116 2.023 13.664 -6.749 1.00 4.21 C ATOM 1802 CD ARG A 116 2.153 14.214 -8.169 1.00 0.40 C ATOM 1803 NE ARG A 116 1.827 13.222 -9.193 1.00 43.11 N ATOM 1804 CZ ARG A 116 2.500 13.063 -10.302 1.00 40.13 C ATOM 1805 NH1 ARG A 116 3.566 13.757 -10.543 1.00 71.23 N ATOM 1806 NH2 ARG A 116 2.105 12.203 -11.177 1.00 23.33 N ATOM 0 H ARG A 116 4.570 10.776 -5.625 1.00 75.51 H new ATOM 0 HA ARG A 116 3.365 13.037 -4.406 1.00 54.15 H new ATOM 0 HB2 ARG A 116 4.018 12.867 -6.803 1.00 52.32 H new ATOM 0 HB3 ARG A 116 2.763 11.670 -7.057 1.00 52.32 H new ATOM 0 HG2 ARG A 116 1.012 13.285 -6.599 1.00 4.21 H new ATOM 0 HG3 ARG A 116 2.170 14.473 -6.033 1.00 4.21 H new ATOM 0 HD2 ARG A 116 1.495 15.076 -8.282 1.00 0.40 H new ATOM 0 HD3 ARG A 116 3.172 14.569 -8.325 1.00 0.40 H new ATOM 0 HE ARG A 116 1.023 12.615 -9.031 1.00 43.11 H new ATOM 0 HH11 ARG A 116 3.894 14.442 -9.862 1.00 71.23 H new ATOM 0 HH12 ARG A 116 4.078 13.619 -11.414 1.00 71.23 H new ATOM 0 HH21 ARG A 116 1.268 11.647 -11.004 1.00 23.33 H new ATOM 0 HH22 ARG A 116 2.630 12.078 -12.043 1.00 23.33 H new ATOM 1820 N ILE A 117 1.374 10.420 -4.900 1.00 42.32 N ATOM 1821 CA ILE A 117 0.133 9.795 -4.419 1.00 40.44 C ATOM 1822 C ILE A 117 0.079 9.811 -2.882 1.00 21.11 C ATOM 1823 O ILE A 117 -0.926 10.206 -2.280 1.00 24.21 O ATOM 1824 CB ILE A 117 0.001 8.328 -4.908 1.00 64.13 C ATOM 1825 CG1 ILE A 117 -0.064 8.265 -6.446 1.00 12.31 C ATOM 1826 CG2 ILE A 117 -1.228 7.656 -4.287 1.00 22.13 C ATOM 1827 CD1 ILE A 117 -0.214 6.858 -6.992 1.00 60.40 C ATOM 0 H ILE A 117 1.903 9.852 -5.562 1.00 42.32 H new ATOM 0 HA ILE A 117 -0.693 10.377 -4.827 1.00 40.44 H new ATOM 0 HB ILE A 117 0.888 7.784 -4.583 1.00 64.13 H new ATOM 0 HG12 ILE A 117 -0.902 8.870 -6.791 1.00 12.31 H new ATOM 0 HG13 ILE A 117 0.842 8.711 -6.858 1.00 12.31 H new ATOM 0 HG21 ILE A 117 -1.300 6.629 -4.644 1.00 22.13 H new ATOM 0 HG22 ILE A 117 -1.133 7.657 -3.201 1.00 22.13 H new ATOM 0 HG23 ILE A 117 -2.126 8.204 -4.573 1.00 22.13 H new ATOM 0 HD11 ILE A 117 -0.253 6.892 -8.081 1.00 60.40 H new ATOM 0 HD12 ILE A 117 0.637 6.253 -6.678 1.00 60.40 H new ATOM 0 HD13 ILE A 117 -1.134 6.416 -6.610 1.00 60.40 H new ATOM 1839 N ILE A 118 1.186 9.404 -2.259 1.00 61.50 N ATOM 1840 CA ILE A 118 1.282 9.356 -0.798 1.00 3.13 C ATOM 1841 C ILE A 118 1.050 10.730 -0.151 1.00 42.42 C ATOM 1842 O ILE A 118 0.149 10.889 0.665 1.00 52.03 O ATOM 1843 CB ILE A 118 2.668 8.821 -0.343 1.00 64.22 C ATOM 1844 CG1 ILE A 118 2.893 7.394 -0.866 1.00 23.12 C ATOM 1845 CG2 ILE A 118 2.796 8.868 1.183 1.00 13.52 C ATOM 1846 CD1 ILE A 118 4.275 6.842 -0.574 1.00 35.54 C ATOM 0 H ILE A 118 2.031 9.102 -2.744 1.00 61.50 H new ATOM 0 HA ILE A 118 0.495 8.677 -0.468 1.00 3.13 H new ATOM 0 HB ILE A 118 3.439 9.466 -0.765 1.00 64.22 H new ATOM 0 HG12 ILE A 118 2.148 6.734 -0.423 1.00 23.12 H new ATOM 0 HG13 ILE A 118 2.728 7.382 -1.943 1.00 23.12 H new ATOM 0 HG21 ILE A 118 3.774 8.489 1.478 1.00 13.52 H new ATOM 0 HG22 ILE A 118 2.687 9.897 1.526 1.00 13.52 H new ATOM 0 HG23 ILE A 118 2.017 8.252 1.633 1.00 13.52 H new ATOM 0 HD11 ILE A 118 4.355 5.831 -0.975 1.00 35.54 H new ATOM 0 HD12 ILE A 118 5.027 7.478 -1.041 1.00 35.54 H new ATOM 0 HD13 ILE A 118 4.437 6.819 0.504 1.00 35.54 H new ATOM 1858 N HIS A 119 1.844 11.732 -0.530 1.00 44.45 N ATOM 1859 CA HIS A 119 1.826 13.019 0.180 1.00 74.23 C ATOM 1860 C HIS A 119 0.716 13.969 -0.306 1.00 63.34 C ATOM 1861 O HIS A 119 0.308 14.867 0.429 1.00 63.11 O ATOM 1862 CB HIS A 119 3.191 13.710 0.083 1.00 34.35 C ATOM 1863 CG HIS A 119 3.580 14.388 1.364 1.00 1.32 C ATOM 1864 ND1 HIS A 119 2.841 15.400 1.938 1.00 14.42 N ATOM 1865 CD2 HIS A 119 4.605 14.150 2.215 1.00 33.12 C ATOM 1866 CE1 HIS A 119 3.393 15.751 3.080 1.00 1.14 C ATOM 1867 NE2 HIS A 119 4.462 15.010 3.275 1.00 55.33 N ATOM 0 H HIS A 119 2.499 11.684 -1.311 1.00 44.45 H new ATOM 0 HA HIS A 119 1.606 12.787 1.222 1.00 74.23 H new ATOM 0 HB2 HIS A 119 3.950 12.974 -0.181 1.00 34.35 H new ATOM 0 HB3 HIS A 119 3.167 14.445 -0.721 1.00 34.35 H new ATOM 0 HD1 HIS A 119 1.998 15.813 1.540 1.00 14.42 H new ATOM 0 HD2 HIS A 119 5.389 13.419 2.084 1.00 33.12 H new ATOM 0 HE1 HIS A 119 3.029 16.519 3.746 1.00 1.14 H new ATOM 1876 N ASP A 120 0.231 13.771 -1.528 1.00 22.44 N ATOM 1877 CA ASP A 120 -0.784 14.664 -2.111 1.00 15.31 C ATOM 1878 C ASP A 120 -2.207 14.244 -1.716 1.00 34.35 C ATOM 1879 O ASP A 120 -3.077 15.088 -1.477 1.00 21.41 O ATOM 1880 CB ASP A 120 -0.661 14.682 -3.637 1.00 63.34 C ATOM 1881 CG ASP A 120 -1.571 15.716 -4.278 1.00 51.23 C ATOM 1882 OD1 ASP A 120 -1.347 16.927 -4.061 1.00 43.43 O ATOM 1883 OD2 ASP A 120 -2.519 15.327 -4.988 1.00 3.45 O ATOM 0 H ASP A 120 0.518 13.005 -2.137 1.00 22.44 H new ATOM 0 HA ASP A 120 -0.603 15.664 -1.716 1.00 15.31 H new ATOM 0 HB2 ASP A 120 0.373 14.890 -3.913 1.00 63.34 H new ATOM 0 HB3 ASP A 120 -0.903 13.695 -4.030 1.00 63.34 H new ATOM 1888 N ARG A 121 -2.441 12.937 -1.664 1.00 61.11 N ATOM 1889 CA ARG A 121 -3.772 12.395 -1.376 1.00 14.44 C ATOM 1890 C ARG A 121 -3.819 11.660 -0.027 1.00 1.21 C ATOM 1891 O ARG A 121 -4.565 12.042 0.873 1.00 51.32 O ATOM 1892 CB ARG A 121 -4.188 11.447 -2.508 1.00 74.41 C ATOM 1893 CG ARG A 121 -4.477 12.153 -3.831 1.00 64.34 C ATOM 1894 CD ARG A 121 -4.709 11.161 -4.971 1.00 33.54 C ATOM 1895 NE ARG A 121 -5.587 10.057 -4.579 1.00 54.14 N ATOM 1896 CZ ARG A 121 -6.586 9.611 -5.293 1.00 15.43 C ATOM 1897 NH1 ARG A 121 -6.974 10.234 -6.360 1.00 21.31 N ATOM 1898 NH2 ARG A 121 -7.217 8.554 -4.908 1.00 32.15 N ATOM 0 H ARG A 121 -1.725 12.227 -1.818 1.00 61.11 H new ATOM 0 HA ARG A 121 -4.469 13.230 -1.311 1.00 14.44 H new ATOM 0 HB2 ARG A 121 -3.397 10.714 -2.664 1.00 74.41 H new ATOM 0 HB3 ARG A 121 -5.077 10.896 -2.200 1.00 74.41 H new ATOM 0 HG2 ARG A 121 -5.356 12.788 -3.719 1.00 64.34 H new ATOM 0 HG3 ARG A 121 -3.642 12.806 -4.083 1.00 64.34 H new ATOM 0 HD2 ARG A 121 -5.145 11.685 -5.822 1.00 33.54 H new ATOM 0 HD3 ARG A 121 -3.751 10.760 -5.301 1.00 33.54 H new ATOM 0 HE ARG A 121 -5.406 9.603 -3.684 1.00 54.14 H new ATOM 0 HH11 ARG A 121 -6.498 11.087 -6.654 1.00 21.31 H new ATOM 0 HH12 ARG A 121 -7.756 9.872 -6.906 1.00 21.31 H new ATOM 0 HH21 ARG A 121 -6.935 8.074 -4.053 1.00 32.15 H new ATOM 0 HH22 ARG A 121 -7.998 8.198 -5.458 1.00 32.15 H new ATOM 1912 N MET A 122 -2.992 10.628 0.114 1.00 41.44 N ATOM 1913 CA MET A 122 -3.042 9.740 1.287 1.00 51.23 C ATOM 1914 C MET A 122 -2.733 10.468 2.618 1.00 52.44 C ATOM 1915 O MET A 122 -3.466 10.320 3.598 1.00 52.42 O ATOM 1916 CB MET A 122 -2.070 8.571 1.083 1.00 74.45 C ATOM 1917 CG MET A 122 -2.336 7.774 -0.188 1.00 11.00 C ATOM 1918 SD MET A 122 -1.233 6.356 -0.366 1.00 74.24 S ATOM 1919 CE MET A 122 -1.816 5.299 0.959 1.00 51.23 C ATOM 0 H MET A 122 -2.275 10.380 -0.568 1.00 41.44 H new ATOM 0 HA MET A 122 -4.065 9.373 1.370 1.00 51.23 H new ATOM 0 HB2 MET A 122 -1.051 8.957 1.054 1.00 74.45 H new ATOM 0 HB3 MET A 122 -2.133 7.902 1.942 1.00 74.45 H new ATOM 0 HG2 MET A 122 -3.369 7.427 -0.185 1.00 11.00 H new ATOM 0 HG3 MET A 122 -2.222 8.428 -1.052 1.00 11.00 H new ATOM 0 HE1 MET A 122 -1.501 4.273 0.771 1.00 51.23 H new ATOM 0 HE2 MET A 122 -1.398 5.639 1.906 1.00 51.23 H new ATOM 0 HE3 MET A 122 -2.904 5.341 1.006 1.00 51.23 H new ATOM 1929 N ILE A 123 -1.650 11.250 2.647 1.00 3.52 N ATOM 1930 CA ILE A 123 -1.224 11.959 3.868 1.00 65.41 C ATOM 1931 C ILE A 123 -2.324 12.897 4.420 1.00 33.15 C ATOM 1932 O ILE A 123 -2.643 12.831 5.611 1.00 4.34 O ATOM 1933 CB ILE A 123 0.101 12.750 3.641 1.00 12.01 C ATOM 1934 CG1 ILE A 123 1.284 11.781 3.454 1.00 23.11 C ATOM 1935 CG2 ILE A 123 0.375 13.715 4.798 1.00 41.00 C ATOM 1936 CD1 ILE A 123 1.596 10.945 4.679 1.00 54.50 C ATOM 0 H ILE A 123 -1.048 11.411 1.840 1.00 3.52 H new ATOM 0 HA ILE A 123 -1.041 11.190 4.618 1.00 65.41 H new ATOM 0 HB ILE A 123 -0.013 13.340 2.732 1.00 12.01 H new ATOM 0 HG12 ILE A 123 1.067 11.116 2.618 1.00 23.11 H new ATOM 0 HG13 ILE A 123 2.170 12.354 3.183 1.00 23.11 H new ATOM 0 HG21 ILE A 123 1.305 14.252 4.611 1.00 41.00 H new ATOM 0 HG22 ILE A 123 -0.446 14.428 4.879 1.00 41.00 H new ATOM 0 HG23 ILE A 123 0.461 13.153 5.728 1.00 41.00 H new ATOM 0 HD11 ILE A 123 2.440 10.289 4.467 1.00 54.50 H new ATOM 0 HD12 ILE A 123 1.847 11.601 5.513 1.00 54.50 H new ATOM 0 HD13 ILE A 123 0.726 10.343 4.940 1.00 54.50 H new ATOM 1948 N PRO A 124 -2.922 13.785 3.581 1.00 73.34 N ATOM 1949 CA PRO A 124 -4.064 14.622 4.000 1.00 70.25 C ATOM 1950 C PRO A 124 -5.159 13.823 4.734 1.00 75.14 C ATOM 1951 O PRO A 124 -5.795 14.332 5.665 1.00 44.34 O ATOM 1952 CB PRO A 124 -4.588 15.180 2.672 1.00 34.14 C ATOM 1953 CG PRO A 124 -3.380 15.254 1.803 1.00 21.44 C ATOM 1954 CD PRO A 124 -2.529 14.069 2.183 1.00 62.44 C ATOM 0 HA PRO A 124 -3.768 15.388 4.716 1.00 70.25 H new ATOM 0 HB2 PRO A 124 -5.350 14.531 2.240 1.00 34.14 H new ATOM 0 HB3 PRO A 124 -5.044 16.161 2.805 1.00 34.14 H new ATOM 0 HG2 PRO A 124 -3.654 15.217 0.749 1.00 21.44 H new ATOM 0 HG3 PRO A 124 -2.842 16.189 1.960 1.00 21.44 H new ATOM 0 HD2 PRO A 124 -2.719 13.215 1.533 1.00 62.44 H new ATOM 0 HD3 PRO A 124 -1.466 14.298 2.105 1.00 62.44 H new ATOM 1962 N HIS A 125 -5.366 12.569 4.321 1.00 65.11 N ATOM 1963 CA HIS A 125 -6.307 11.675 5.005 1.00 41.02 C ATOM 1964 C HIS A 125 -5.743 11.204 6.360 1.00 22.25 C ATOM 1965 O HIS A 125 -6.423 11.282 7.384 1.00 0.14 O ATOM 1966 CB HIS A 125 -6.643 10.455 4.133 1.00 30.11 C ATOM 1967 CG HIS A 125 -7.358 10.785 2.855 1.00 14.32 C ATOM 1968 ND1 HIS A 125 -8.596 11.387 2.860 1.00 3.41 N ATOM 1969 CD2 HIS A 125 -6.978 10.573 1.571 1.00 52.31 C ATOM 1970 CE1 HIS A 125 -8.937 11.526 1.589 1.00 42.40 C ATOM 1971 NE2 HIS A 125 -7.988 11.049 0.777 1.00 72.13 N ATOM 0 H HIS A 125 -4.896 12.150 3.518 1.00 65.11 H new ATOM 0 HA HIS A 125 -7.220 12.243 5.184 1.00 41.02 H new ATOM 0 HB2 HIS A 125 -5.719 9.930 3.893 1.00 30.11 H new ATOM 0 HB3 HIS A 125 -7.259 9.768 4.713 1.00 30.11 H new ATOM 0 HD2 HIS A 125 -6.057 10.117 1.238 1.00 52.31 H new ATOM 0 HE1 HIS A 125 -9.863 11.968 1.251 1.00 42.40 H new ATOM 0 HE2 HIS A 125 -8.012 11.041 -0.243 1.00 72.13 H new ATOM 1979 N PHE A 126 -4.493 10.724 6.359 1.00 45.14 N ATOM 1980 CA PHE A 126 -3.849 10.207 7.583 1.00 44.04 C ATOM 1981 C PHE A 126 -3.812 11.260 8.704 1.00 63.41 C ATOM 1982 O PHE A 126 -4.125 10.961 9.855 1.00 73.44 O ATOM 1983 CB PHE A 126 -2.423 9.717 7.286 1.00 43.24 C ATOM 1984 CG PHE A 126 -2.361 8.582 6.296 1.00 10.45 C ATOM 1985 CD1 PHE A 126 -3.285 7.547 6.346 1.00 4.32 C ATOM 1986 CD2 PHE A 126 -1.378 8.549 5.318 1.00 42.43 C ATOM 1987 CE1 PHE A 126 -3.230 6.506 5.440 1.00 44.22 C ATOM 1988 CE2 PHE A 126 -1.320 7.510 4.412 1.00 1.52 C ATOM 1989 CZ PHE A 126 -2.248 6.489 4.473 1.00 4.44 C ATOM 0 H PHE A 126 -3.904 10.681 5.527 1.00 45.14 H new ATOM 0 HA PHE A 126 -4.454 9.368 7.927 1.00 44.04 H new ATOM 0 HB2 PHE A 126 -1.835 10.552 6.904 1.00 43.24 H new ATOM 0 HB3 PHE A 126 -1.957 9.399 8.219 1.00 43.24 H new ATOM 0 HD1 PHE A 126 -4.056 7.556 7.102 1.00 4.32 H new ATOM 0 HD2 PHE A 126 -0.650 9.345 5.265 1.00 42.43 H new ATOM 0 HE1 PHE A 126 -3.955 5.707 5.489 1.00 44.22 H new ATOM 0 HE2 PHE A 126 -0.549 7.495 3.656 1.00 1.52 H new ATOM 0 HZ PHE A 126 -2.204 5.677 3.763 1.00 4.44 H new ATOM 1999 N ARG A 127 -3.438 12.493 8.358 1.00 41.13 N ATOM 2000 CA ARG A 127 -3.418 13.598 9.329 1.00 41.23 C ATOM 2001 C ARG A 127 -4.828 13.881 9.875 1.00 23.05 C ATOM 2002 O ARG A 127 -4.992 14.433 10.963 1.00 4.54 O ATOM 2003 CB ARG A 127 -2.851 14.867 8.679 1.00 14.41 C ATOM 2004 CG ARG A 127 -1.471 14.681 8.063 1.00 43.54 C ATOM 2005 CD ARG A 127 -1.001 15.938 7.337 1.00 32.12 C ATOM 2006 NE ARG A 127 -0.676 17.026 8.256 1.00 64.11 N ATOM 2007 CZ ARG A 127 -0.497 18.269 7.890 1.00 64.21 C ATOM 2008 NH1 ARG A 127 -0.730 18.640 6.671 1.00 45.05 N ATOM 2009 NH2 ARG A 127 -0.107 19.146 8.755 1.00 40.42 N ATOM 0 H ARG A 127 -3.145 12.755 7.417 1.00 41.13 H new ATOM 0 HA ARG A 127 -2.778 13.302 10.160 1.00 41.23 H new ATOM 0 HB2 ARG A 127 -3.540 15.207 7.906 1.00 14.41 H new ATOM 0 HB3 ARG A 127 -2.800 15.656 9.429 1.00 14.41 H new ATOM 0 HG2 ARG A 127 -0.756 14.424 8.844 1.00 43.54 H new ATOM 0 HG3 ARG A 127 -1.494 13.845 7.364 1.00 43.54 H new ATOM 0 HD2 ARG A 127 -0.123 15.700 6.736 1.00 32.12 H new ATOM 0 HD3 ARG A 127 -1.779 16.268 6.648 1.00 32.12 H new ATOM 0 HE ARG A 127 -0.583 16.802 9.247 1.00 64.11 H new ATOM 0 HH11 ARG A 127 -1.057 17.960 5.985 1.00 45.05 H new ATOM 0 HH12 ARG A 127 -0.587 19.612 6.398 1.00 45.05 H new ATOM 0 HH21 ARG A 127 0.061 18.869 9.722 1.00 40.42 H new ATOM 0 HH22 ARG A 127 0.033 20.116 8.471 1.00 40.42 H new ATOM 2023 N SER A 128 -5.843 13.503 9.099 1.00 20.04 N ATOM 2024 CA SER A 128 -7.247 13.651 9.510 1.00 42.51 C ATOM 2025 C SER A 128 -7.772 12.379 10.196 1.00 45.02 C ATOM 2026 O SER A 128 -8.964 12.262 10.482 1.00 31.30 O ATOM 2027 CB SER A 128 -8.123 13.979 8.289 1.00 41.22 C ATOM 2028 OG SER A 128 -7.719 15.196 7.675 1.00 4.12 O ATOM 0 H SER A 128 -5.722 13.089 8.175 1.00 20.04 H new ATOM 0 HA SER A 128 -7.297 14.469 10.228 1.00 42.51 H new ATOM 0 HB2 SER A 128 -8.061 13.166 7.565 1.00 41.22 H new ATOM 0 HB3 SER A 128 -9.166 14.053 8.597 1.00 41.22 H new ATOM 0 HG SER A 128 -7.072 15.005 6.964 1.00 4.12 H new ATOM 2034 N GLY A 129 -6.877 11.424 10.453 1.00 73.41 N ATOM 2035 CA GLY A 129 -7.269 10.162 11.082 1.00 51.30 C ATOM 2036 C GLY A 129 -7.898 9.165 10.108 1.00 2.42 C ATOM 2037 O GLY A 129 -8.263 8.051 10.492 1.00 13.02 O ATOM 0 H GLY A 129 -5.883 11.499 10.237 1.00 73.41 H new ATOM 0 HA2 GLY A 129 -6.392 9.706 11.541 1.00 51.30 H new ATOM 0 HA3 GLY A 129 -7.977 10.370 11.885 1.00 51.30 H new ATOM 2041 N ASN A 130 -8.017 9.560 8.843 1.00 23.12 N ATOM 2042 CA ASN A 130 -8.636 8.717 7.816 1.00 23.11 C ATOM 2043 C ASN A 130 -7.619 7.748 7.193 1.00 14.05 C ATOM 2044 O ASN A 130 -7.215 7.909 6.041 1.00 12.43 O ATOM 2045 CB ASN A 130 -9.260 9.589 6.718 1.00 23.25 C ATOM 2046 CG ASN A 130 -10.406 10.446 7.218 1.00 65.42 C ATOM 2047 OD1 ASN A 130 -10.437 10.864 8.370 1.00 71.43 O ATOM 2048 ND2 ASN A 130 -11.361 10.721 6.352 1.00 53.43 N ATOM 0 H ASN A 130 -7.692 10.464 8.500 1.00 23.12 H new ATOM 0 HA ASN A 130 -9.415 8.127 8.299 1.00 23.11 H new ATOM 0 HB2 ASN A 130 -8.491 10.234 6.293 1.00 23.25 H new ATOM 0 HB3 ASN A 130 -9.618 8.948 5.913 1.00 23.25 H new ATOM 0 HD21 ASN A 130 -12.155 11.297 6.634 1.00 53.43 H new ATOM 0 HD22 ASN A 130 -11.306 10.358 5.400 1.00 53.43 H new ATOM 2055 N TYR A 131 -7.195 6.751 7.964 1.00 4.35 N ATOM 2056 CA TYR A 131 -6.262 5.738 7.463 1.00 44.45 C ATOM 2057 C TYR A 131 -6.955 4.824 6.446 1.00 63.22 C ATOM 2058 O TYR A 131 -6.388 4.487 5.406 1.00 41.35 O ATOM 2059 CB TYR A 131 -5.694 4.901 8.615 1.00 33.31 C ATOM 2060 CG TYR A 131 -5.041 5.730 9.704 1.00 23.01 C ATOM 2061 CD1 TYR A 131 -3.705 6.109 9.616 1.00 44.00 C ATOM 2062 CD2 TYR A 131 -5.763 6.133 10.821 1.00 72.51 C ATOM 2063 CE1 TYR A 131 -3.112 6.863 10.609 1.00 35.12 C ATOM 2064 CE2 TYR A 131 -5.176 6.887 11.815 1.00 32.54 C ATOM 2065 CZ TYR A 131 -3.853 7.249 11.706 1.00 40.42 C ATOM 2066 OH TYR A 131 -3.270 7.997 12.704 1.00 12.44 O ATOM 0 H TYR A 131 -7.479 6.620 8.935 1.00 4.35 H new ATOM 0 HA TYR A 131 -5.439 6.255 6.970 1.00 44.45 H new ATOM 0 HB2 TYR A 131 -6.497 4.309 9.053 1.00 33.31 H new ATOM 0 HB3 TYR A 131 -4.962 4.199 8.216 1.00 33.31 H new ATOM 0 HD1 TYR A 131 -3.123 5.809 8.757 1.00 44.00 H new ATOM 0 HD2 TYR A 131 -6.801 5.851 10.912 1.00 72.51 H new ATOM 0 HE1 TYR A 131 -2.074 7.149 10.527 1.00 35.12 H new ATOM 0 HE2 TYR A 131 -5.752 7.192 12.676 1.00 32.54 H new ATOM 0 HH TYR A 131 -3.932 8.184 13.402 1.00 12.44 H new ATOM 2076 N ALA A 132 -8.192 4.434 6.758 1.00 71.33 N ATOM 2077 CA ALA A 132 -8.993 3.608 5.855 1.00 41.54 C ATOM 2078 C ALA A 132 -9.230 4.319 4.515 1.00 23.51 C ATOM 2079 O ALA A 132 -9.078 3.722 3.447 1.00 13.15 O ATOM 2080 CB ALA A 132 -10.321 3.235 6.505 1.00 2.11 C ATOM 0 H ALA A 132 -8.661 4.678 7.630 1.00 71.33 H new ATOM 0 HA ALA A 132 -8.435 2.693 5.655 1.00 41.54 H new ATOM 0 HB1 ALA A 132 -10.903 2.621 5.818 1.00 2.11 H new ATOM 0 HB2 ALA A 132 -10.133 2.676 7.421 1.00 2.11 H new ATOM 0 HB3 ALA A 132 -10.878 4.142 6.741 1.00 2.11 H new ATOM 2086 N GLU A 133 -9.608 5.598 4.581 1.00 42.03 N ATOM 2087 CA GLU A 133 -9.755 6.428 3.378 1.00 2.32 C ATOM 2088 C GLU A 133 -8.429 6.524 2.607 1.00 50.31 C ATOM 2089 O GLU A 133 -8.379 6.221 1.418 1.00 2.44 O ATOM 2090 CB GLU A 133 -10.242 7.844 3.742 1.00 40.00 C ATOM 2091 CG GLU A 133 -11.730 7.949 4.086 1.00 11.24 C ATOM 2092 CD GLU A 133 -12.147 7.118 5.292 1.00 41.12 C ATOM 2093 OE1 GLU A 133 -11.374 7.036 6.267 1.00 5.42 O ATOM 2094 OE2 GLU A 133 -13.270 6.566 5.276 1.00 75.14 O ATOM 0 H GLU A 133 -9.818 6.083 5.453 1.00 42.03 H new ATOM 0 HA GLU A 133 -10.499 5.949 2.741 1.00 2.32 H new ATOM 0 HB2 GLU A 133 -9.662 8.204 4.592 1.00 40.00 H new ATOM 0 HB3 GLU A 133 -10.030 8.511 2.906 1.00 40.00 H new ATOM 0 HG2 GLU A 133 -11.976 8.994 4.275 1.00 11.24 H new ATOM 0 HG3 GLU A 133 -12.315 7.635 3.222 1.00 11.24 H new ATOM 2101 N GLY A 134 -7.362 6.922 3.302 1.00 42.14 N ATOM 2102 CA GLY A 134 -6.055 7.079 2.666 1.00 70.03 C ATOM 2103 C GLY A 134 -5.577 5.828 1.931 1.00 2.25 C ATOM 2104 O GLY A 134 -5.166 5.897 0.774 1.00 22.21 O ATOM 0 H GLY A 134 -7.377 7.140 4.298 1.00 42.14 H new ATOM 0 HA2 GLY A 134 -6.101 7.909 1.961 1.00 70.03 H new ATOM 0 HA3 GLY A 134 -5.321 7.347 3.426 1.00 70.03 H new ATOM 2108 N LEU A 135 -5.628 4.684 2.605 1.00 24.15 N ATOM 2109 CA LEU A 135 -5.219 3.413 1.998 1.00 5.24 C ATOM 2110 C LEU A 135 -6.149 3.006 0.842 1.00 44.00 C ATOM 2111 O LEU A 135 -5.684 2.631 -0.232 1.00 52.42 O ATOM 2112 CB LEU A 135 -5.189 2.305 3.057 1.00 50.31 C ATOM 2113 CG LEU A 135 -4.187 2.519 4.203 1.00 72.32 C ATOM 2114 CD1 LEU A 135 -4.322 1.416 5.247 1.00 23.31 C ATOM 2115 CD2 LEU A 135 -2.756 2.586 3.668 1.00 51.02 C ATOM 0 H LEU A 135 -5.947 4.606 3.571 1.00 24.15 H new ATOM 0 HA LEU A 135 -4.218 3.553 1.589 1.00 5.24 H new ATOM 0 HB2 LEU A 135 -6.187 2.205 3.483 1.00 50.31 H new ATOM 0 HB3 LEU A 135 -4.957 1.361 2.565 1.00 50.31 H new ATOM 0 HG LEU A 135 -4.414 3.472 4.681 1.00 72.32 H new ATOM 0 HD11 LEU A 135 -3.604 1.585 6.050 1.00 23.31 H new ATOM 0 HD12 LEU A 135 -5.332 1.424 5.656 1.00 23.31 H new ATOM 0 HD13 LEU A 135 -4.126 0.450 4.783 1.00 23.31 H new ATOM 0 HD21 LEU A 135 -2.064 2.738 4.497 1.00 51.02 H new ATOM 0 HD22 LEU A 135 -2.514 1.653 3.159 1.00 51.02 H new ATOM 0 HD23 LEU A 135 -2.669 3.415 2.966 1.00 51.02 H new ATOM 2127 N SER A 136 -7.461 3.088 1.063 1.00 1.30 N ATOM 2128 CA SER A 136 -8.441 2.669 0.044 1.00 73.55 C ATOM 2129 C SER A 136 -8.319 3.505 -1.238 1.00 70.42 C ATOM 2130 O SER A 136 -8.223 2.958 -2.341 1.00 51.11 O ATOM 2131 CB SER A 136 -9.876 2.765 0.587 1.00 23.10 C ATOM 2132 OG SER A 136 -10.220 4.103 0.907 1.00 73.24 O ATOM 0 H SER A 136 -7.874 3.437 1.928 1.00 1.30 H new ATOM 0 HA SER A 136 -8.220 1.630 -0.200 1.00 73.55 H new ATOM 0 HB2 SER A 136 -10.574 2.376 -0.154 1.00 23.10 H new ATOM 0 HB3 SER A 136 -9.973 2.140 1.475 1.00 23.10 H new ATOM 0 HG SER A 136 -9.794 4.357 1.752 1.00 73.24 H new ATOM 2138 N GLU A 137 -8.313 4.828 -1.091 1.00 34.32 N ATOM 2139 CA GLU A 137 -8.214 5.728 -2.242 1.00 24.51 C ATOM 2140 C GLU A 137 -6.783 5.758 -2.806 1.00 4.51 C ATOM 2141 O GLU A 137 -6.585 6.027 -3.989 1.00 24.43 O ATOM 2142 CB GLU A 137 -8.695 7.143 -1.865 1.00 44.25 C ATOM 2143 CG GLU A 137 -7.745 7.937 -0.963 1.00 52.23 C ATOM 2144 CD GLU A 137 -6.927 8.962 -1.731 1.00 72.53 C ATOM 2145 OE1 GLU A 137 -7.437 10.081 -1.961 1.00 45.32 O ATOM 2146 OE2 GLU A 137 -5.790 8.647 -2.133 1.00 12.11 O ATOM 0 H GLU A 137 -8.375 5.301 -0.190 1.00 34.32 H new ATOM 0 HA GLU A 137 -8.866 5.346 -3.028 1.00 24.51 H new ATOM 0 HB2 GLU A 137 -8.858 7.710 -2.782 1.00 44.25 H new ATOM 0 HB3 GLU A 137 -9.660 7.060 -1.365 1.00 44.25 H new ATOM 0 HG2 GLU A 137 -8.323 8.444 -0.191 1.00 52.23 H new ATOM 0 HG3 GLU A 137 -7.071 7.247 -0.455 1.00 52.23 H new ATOM 2153 N GLY A 138 -5.791 5.491 -1.952 1.00 65.31 N ATOM 2154 CA GLY A 138 -4.413 5.354 -2.415 1.00 10.42 C ATOM 2155 C GLY A 138 -4.225 4.149 -3.335 1.00 45.03 C ATOM 2156 O GLY A 138 -3.622 4.254 -4.406 1.00 50.32 O ATOM 0 H GLY A 138 -5.917 5.367 -0.947 1.00 65.31 H new ATOM 0 HA2 GLY A 138 -4.118 6.261 -2.943 1.00 10.42 H new ATOM 0 HA3 GLY A 138 -3.751 5.257 -1.554 1.00 10.42 H new ATOM 2160 N VAL A 139 -4.751 2.997 -2.911 1.00 22.31 N ATOM 2161 CA VAL A 139 -4.772 1.793 -3.749 1.00 24.13 C ATOM 2162 C VAL A 139 -5.522 2.062 -5.060 1.00 23.12 C ATOM 2163 O VAL A 139 -5.074 1.679 -6.144 1.00 10.13 O ATOM 2164 CB VAL A 139 -5.445 0.606 -3.010 1.00 71.11 C ATOM 2165 CG1 VAL A 139 -5.600 -0.607 -3.930 1.00 65.33 C ATOM 2166 CG2 VAL A 139 -4.654 0.230 -1.758 1.00 23.01 C ATOM 0 H VAL A 139 -5.170 2.872 -1.989 1.00 22.31 H new ATOM 0 HA VAL A 139 -3.737 1.530 -3.969 1.00 24.13 H new ATOM 0 HB VAL A 139 -6.442 0.927 -2.707 1.00 71.11 H new ATOM 0 HG11 VAL A 139 -6.075 -1.421 -3.382 1.00 65.33 H new ATOM 0 HG12 VAL A 139 -6.218 -0.337 -4.787 1.00 65.33 H new ATOM 0 HG13 VAL A 139 -4.618 -0.928 -4.278 1.00 65.33 H new ATOM 0 HG21 VAL A 139 -5.143 -0.604 -1.255 1.00 23.01 H new ATOM 0 HG22 VAL A 139 -3.642 -0.060 -2.040 1.00 23.01 H new ATOM 0 HG23 VAL A 139 -4.612 1.085 -1.084 1.00 23.01 H new ATOM 2176 N LEU A 140 -6.666 2.737 -4.948 1.00 21.14 N ATOM 2177 CA LEU A 140 -7.459 3.111 -6.119 1.00 73.34 C ATOM 2178 C LEU A 140 -6.682 4.088 -7.016 1.00 74.02 C ATOM 2179 O LEU A 140 -6.770 4.020 -8.237 1.00 4.01 O ATOM 2180 CB LEU A 140 -8.800 3.726 -5.684 1.00 21.54 C ATOM 2181 CG LEU A 140 -9.787 4.039 -6.826 1.00 23.05 C ATOM 2182 CD1 LEU A 140 -10.134 2.774 -7.608 1.00 60.30 C ATOM 2183 CD2 LEU A 140 -11.050 4.701 -6.278 1.00 12.22 C ATOM 0 H LEU A 140 -7.064 3.036 -4.058 1.00 21.14 H new ATOM 0 HA LEU A 140 -7.662 2.209 -6.697 1.00 73.34 H new ATOM 0 HB2 LEU A 140 -9.284 3.043 -4.986 1.00 21.54 H new ATOM 0 HB3 LEU A 140 -8.597 4.648 -5.139 1.00 21.54 H new ATOM 0 HG LEU A 140 -9.305 4.736 -7.511 1.00 23.05 H new ATOM 0 HD11 LEU A 140 -10.832 3.021 -8.408 1.00 60.30 H new ATOM 0 HD12 LEU A 140 -9.226 2.350 -8.036 1.00 60.30 H new ATOM 0 HD13 LEU A 140 -10.593 2.047 -6.938 1.00 60.30 H new ATOM 0 HD21 LEU A 140 -11.734 4.914 -7.099 1.00 12.22 H new ATOM 0 HD22 LEU A 140 -11.533 4.030 -5.568 1.00 12.22 H new ATOM 0 HD23 LEU A 140 -10.785 5.631 -5.776 1.00 12.22 H new ATOM 2195 N ALA A 141 -5.901 4.979 -6.397 1.00 24.51 N ATOM 2196 CA ALA A 141 -5.059 5.930 -7.140 1.00 45.04 C ATOM 2197 C ALA A 141 -4.036 5.198 -8.022 1.00 62.44 C ATOM 2198 O ALA A 141 -3.816 5.567 -9.175 1.00 32.33 O ATOM 2199 CB ALA A 141 -4.346 6.882 -6.182 1.00 54.53 C ATOM 0 H ALA A 141 -5.832 5.064 -5.383 1.00 24.51 H new ATOM 0 HA ALA A 141 -5.712 6.512 -7.790 1.00 45.04 H new ATOM 0 HB1 ALA A 141 -3.729 7.577 -6.752 1.00 54.53 H new ATOM 0 HB2 ALA A 141 -5.085 7.440 -5.607 1.00 54.53 H new ATOM 0 HB3 ALA A 141 -3.715 6.309 -5.503 1.00 54.53 H new ATOM 2205 N VAL A 142 -3.408 4.161 -7.469 1.00 14.21 N ATOM 2206 CA VAL A 142 -2.506 3.304 -8.243 1.00 20.15 C ATOM 2207 C VAL A 142 -3.269 2.591 -9.369 1.00 52.51 C ATOM 2208 O VAL A 142 -2.831 2.569 -10.524 1.00 42.41 O ATOM 2209 CB VAL A 142 -1.820 2.251 -7.337 1.00 64.12 C ATOM 2210 CG1 VAL A 142 -0.961 1.288 -8.156 1.00 22.22 C ATOM 2211 CG2 VAL A 142 -0.987 2.933 -6.254 1.00 33.14 C ATOM 0 H VAL A 142 -3.506 3.893 -6.490 1.00 14.21 H new ATOM 0 HA VAL A 142 -1.739 3.945 -8.678 1.00 20.15 H new ATOM 0 HB VAL A 142 -2.603 1.667 -6.853 1.00 64.12 H new ATOM 0 HG11 VAL A 142 -0.494 0.562 -7.491 1.00 22.22 H new ATOM 0 HG12 VAL A 142 -1.588 0.767 -8.879 1.00 22.22 H new ATOM 0 HG13 VAL A 142 -0.188 1.848 -8.683 1.00 22.22 H new ATOM 0 HG21 VAL A 142 -0.514 2.176 -5.628 1.00 33.14 H new ATOM 0 HG22 VAL A 142 -0.219 3.550 -6.720 1.00 33.14 H new ATOM 0 HG23 VAL A 142 -1.633 3.560 -5.639 1.00 33.14 H new ATOM 2221 N GLN A 143 -4.415 2.010 -9.021 1.00 52.14 N ATOM 2222 CA GLN A 143 -5.293 1.375 -10.012 1.00 64.13 C ATOM 2223 C GLN A 143 -5.693 2.360 -11.135 1.00 40.22 C ATOM 2224 O GLN A 143 -5.787 1.978 -12.301 1.00 42.34 O ATOM 2225 CB GLN A 143 -6.542 0.797 -9.327 1.00 13.33 C ATOM 2226 CG GLN A 143 -7.510 0.121 -10.294 1.00 5.22 C ATOM 2227 CD GLN A 143 -8.645 -0.614 -9.599 1.00 64.04 C ATOM 2228 OE1 GLN A 143 -9.074 -0.250 -8.508 1.00 5.14 O ATOM 2229 NE2 GLN A 143 -9.146 -1.652 -10.232 1.00 30.43 N ATOM 0 H GLN A 143 -4.761 1.964 -8.062 1.00 52.14 H new ATOM 0 HA GLN A 143 -4.737 0.560 -10.475 1.00 64.13 H new ATOM 0 HB2 GLN A 143 -6.231 0.074 -8.573 1.00 13.33 H new ATOM 0 HB3 GLN A 143 -7.064 1.599 -8.805 1.00 13.33 H new ATOM 0 HG2 GLN A 143 -7.930 0.874 -10.961 1.00 5.22 H new ATOM 0 HG3 GLN A 143 -6.958 -0.584 -10.916 1.00 5.22 H new ATOM 0 HE21 GLN A 143 -8.767 -1.929 -11.138 1.00 30.43 H new ATOM 0 HE22 GLN A 143 -9.914 -2.180 -9.817 1.00 30.43 H new ATOM 2238 N GLN A 144 -5.903 3.629 -10.777 1.00 60.20 N ATOM 2239 CA GLN A 144 -6.211 4.684 -11.760 1.00 61.33 C ATOM 2240 C GLN A 144 -5.115 4.803 -12.833 1.00 21.41 C ATOM 2241 O GLN A 144 -5.381 5.211 -13.964 1.00 61.52 O ATOM 2242 CB GLN A 144 -6.396 6.041 -11.061 1.00 12.54 C ATOM 2243 CG GLN A 144 -7.659 6.146 -10.207 1.00 72.25 C ATOM 2244 CD GLN A 144 -8.939 6.239 -11.024 1.00 23.35 C ATOM 2245 OE1 GLN A 144 -9.039 5.717 -12.131 1.00 63.14 O ATOM 2246 NE2 GLN A 144 -9.930 6.918 -10.488 1.00 72.32 N ATOM 0 H GLN A 144 -5.866 3.957 -9.812 1.00 60.20 H new ATOM 0 HA GLN A 144 -7.141 4.400 -12.252 1.00 61.33 H new ATOM 0 HB2 GLN A 144 -5.528 6.231 -10.429 1.00 12.54 H new ATOM 0 HB3 GLN A 144 -6.418 6.825 -11.818 1.00 12.54 H new ATOM 0 HG2 GLN A 144 -7.718 5.277 -9.552 1.00 72.25 H new ATOM 0 HG3 GLN A 144 -7.582 7.024 -9.566 1.00 72.25 H new ATOM 0 HE21 GLN A 144 -9.819 7.341 -9.567 1.00 72.32 H new ATOM 0 HE22 GLN A 144 -10.810 7.021 -10.994 1.00 72.32 H new ATOM 2255 N VAL A 145 -3.876 4.482 -12.464 1.00 73.05 N ATOM 2256 CA VAL A 145 -2.758 4.486 -13.414 1.00 45.33 C ATOM 2257 C VAL A 145 -2.826 3.270 -14.357 1.00 71.14 C ATOM 2258 O VAL A 145 -2.733 3.411 -15.578 1.00 63.44 O ATOM 2259 CB VAL A 145 -1.391 4.491 -12.678 1.00 71.54 C ATOM 2260 CG1 VAL A 145 -0.232 4.528 -13.677 1.00 4.42 C ATOM 2261 CG2 VAL A 145 -1.308 5.666 -11.702 1.00 31.45 C ATOM 0 H VAL A 145 -3.618 4.215 -11.514 1.00 73.05 H new ATOM 0 HA VAL A 145 -2.844 5.399 -14.003 1.00 45.33 H new ATOM 0 HB VAL A 145 -1.310 3.567 -12.106 1.00 71.54 H new ATOM 0 HG11 VAL A 145 0.714 4.531 -13.136 1.00 4.42 H new ATOM 0 HG12 VAL A 145 -0.279 3.650 -14.322 1.00 4.42 H new ATOM 0 HG13 VAL A 145 -0.305 5.429 -14.286 1.00 4.42 H new ATOM 0 HG21 VAL A 145 -0.342 5.652 -11.196 1.00 31.45 H new ATOM 0 HG22 VAL A 145 -1.417 6.602 -12.250 1.00 31.45 H new ATOM 0 HG23 VAL A 145 -2.105 5.583 -10.964 1.00 31.45 H new ATOM 2271 N LEU A 146 -2.996 2.079 -13.781 1.00 44.41 N ATOM 2272 CA LEU A 146 -3.043 0.833 -14.563 1.00 50.53 C ATOM 2273 C LEU A 146 -4.349 0.707 -15.375 1.00 51.03 C ATOM 2274 O LEU A 146 -4.322 0.608 -16.606 1.00 51.21 O ATOM 2275 CB LEU A 146 -2.888 -0.372 -13.622 1.00 61.24 C ATOM 2276 CG LEU A 146 -1.595 -0.391 -12.788 1.00 32.22 C ATOM 2277 CD1 LEU A 146 -1.568 -1.599 -11.852 1.00 52.03 C ATOM 2278 CD2 LEU A 146 -0.364 -0.380 -13.694 1.00 25.23 C ATOM 0 H LEU A 146 -3.104 1.946 -12.775 1.00 44.41 H new ATOM 0 HA LEU A 146 -2.219 0.855 -15.276 1.00 50.53 H new ATOM 0 HB2 LEU A 146 -3.740 -0.394 -12.942 1.00 61.24 H new ATOM 0 HB3 LEU A 146 -2.931 -1.285 -14.216 1.00 61.24 H new ATOM 0 HG LEU A 146 -1.575 0.511 -12.177 1.00 32.22 H new ATOM 0 HD11 LEU A 146 -0.644 -1.590 -11.273 1.00 52.03 H new ATOM 0 HD12 LEU A 146 -2.421 -1.554 -11.175 1.00 52.03 H new ATOM 0 HD13 LEU A 146 -1.619 -2.516 -12.439 1.00 52.03 H new ATOM 0 HD21 LEU A 146 0.538 -0.394 -13.082 1.00 25.23 H new ATOM 0 HD22 LEU A 146 -0.379 -1.259 -14.339 1.00 25.23 H new ATOM 0 HD23 LEU A 146 -0.372 0.521 -14.308 1.00 25.23 H new ATOM 2290 N ASP A 147 -5.488 0.736 -14.682 1.00 14.51 N ATOM 2291 CA ASP A 147 -6.804 0.647 -15.332 1.00 4.34 C ATOM 2292 C ASP A 147 -7.150 1.930 -16.101 1.00 25.05 C ATOM 2293 O ASP A 147 -8.089 1.952 -16.899 1.00 70.22 O ATOM 2294 CB ASP A 147 -7.898 0.335 -14.297 1.00 22.22 C ATOM 2295 CG ASP A 147 -7.954 -1.134 -13.905 1.00 24.33 C ATOM 2296 OD1 ASP A 147 -7.183 -1.941 -14.463 1.00 4.34 O ATOM 2297 OD2 ASP A 147 -8.801 -1.496 -13.063 1.00 75.42 O ATOM 0 H ASP A 147 -5.530 0.821 -13.666 1.00 14.51 H new ATOM 0 HA ASP A 147 -6.755 -0.168 -16.054 1.00 4.34 H new ATOM 0 HB2 ASP A 147 -7.726 0.936 -13.404 1.00 22.22 H new ATOM 0 HB3 ASP A 147 -8.866 0.633 -14.700 1.00 22.22 H new