USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 907 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 87 TYR OH : rot 153:sc= -1.45! USER MOD Set 1.2: A 111 THR OG1 : rot -105:sc= 0.857 USER MOD Set 2.1: A 86 ASN : amide:sc= 1.18 K(o=-3.1,f=-9.8!) USER MOD Set 2.2: A 108 GLN : amide:sc= 0.414 K(o=-3.1,f=-3.9) USER MOD Set 2.3: A 119 ASN : amide:sc= -4.75! C(o=-3.1!,f=-9.8!) USER MOD Set 2.4: A 121 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 67 GLN : amide:sc= -1.73 K(o=-1.5,f=-4.9!) USER MOD Set 3.2: A 80 ASN : amide:sc= 0.179 K(o=-1.5,f=-6.8!) USER MOD Set 4.1: A 18 ASN :FLIP amide:sc= -0.0197 F(o=-3.1,f=-1.2) USER MOD Set 4.2: A 43 ASN :FLIP amide:sc= -1.19 F(o=-2.6!,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 28:sc= 1.15 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 62:sc= 0.00401 USER MOD Single : A 6 SER OG : rot 55:sc= 0.309 USER MOD Single : A 9 THR OG1 : rot 53:sc= 1.14 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 52:sc= 0.12 USER MOD Single : A 28 GLN : amide:sc= -0.0115 X(o=-0.011,f=-0.043) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.82 K(o=-1.8,f=-3.5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.0737 F(o=-1.1,f=-0.074) USER MOD Single : A 45 SER OG : rot 25:sc= 0.177 USER MOD Single : A 48 THR OG1 : rot -46:sc= 0.674 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -113:sc= -3.22! (180deg=-7.23!) USER MOD Single : A 59 HIS :FLIP no HE2:sc= -0.0006 F(o=-0.77,f=-0.0006) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-2.4!) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.313 F(o=-1.1,f=-0.31) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -6.75! C(o=-9.8!,f=-6.8!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 45:sc= 0.0699 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -155:sc= -1.46! USER MOD Single : A 92 MET CE :methyl -130:sc= -7.64 (180deg=-13.8!) USER MOD Single : A 95 ASN : amide:sc= -10! C(o=-10!,f=-17!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 168:sc= 0.298 (180deg=0.201) USER MOD Single : A 100 SER OG : rot -162:sc= 0.834 USER MOD Single : A 103 SER OG : rot 76:sc= -0.828 USER MOD Single : A 106 SER OG : rot -31:sc= -1.01 USER MOD Single : A 109 TYR OH : rot 55:sc= 0.0194 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= -0.052 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.815 1.202 9.694 1.00 0.00 N ATOM 2 CA GLY A 1 -29.161 0.207 8.692 1.00 0.00 C ATOM 3 C GLY A 1 -30.573 -0.335 8.923 1.00 0.00 C ATOM 4 O GLY A 1 -30.924 -0.706 10.042 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.853 1.554 9.516 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.488 1.993 9.644 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.856 0.771 10.640 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.095 0.649 7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.443 -0.612 8.725 1.00 0.00 H new ATOM 8 N SER A 2 -31.344 -0.365 7.845 1.00 0.00 N ATOM 9 CA SER A 2 -32.709 -0.856 7.916 1.00 0.00 C ATOM 10 C SER A 2 -33.229 -1.161 6.510 1.00 0.00 C ATOM 11 O SER A 2 -33.073 -0.351 5.597 1.00 0.00 O ATOM 12 CB SER A 2 -33.623 0.155 8.612 1.00 0.00 C ATOM 13 OG SER A 2 -33.534 0.067 10.031 1.00 0.00 O ATOM 0 H SER A 2 -31.049 -0.057 6.918 1.00 0.00 H new ATOM 0 HA SER A 2 -32.712 -1.773 8.505 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.357 1.163 8.294 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.654 -0.015 8.302 1.00 0.00 H new ATOM 0 HG SER A 2 -32.645 -0.259 10.283 1.00 0.00 H new ATOM 19 N SER A 3 -33.837 -2.331 6.379 1.00 0.00 N ATOM 20 CA SER A 3 -34.381 -2.753 5.099 1.00 0.00 C ATOM 21 C SER A 3 -35.038 -4.128 5.238 1.00 0.00 C ATOM 22 O SER A 3 -34.765 -4.857 6.190 1.00 0.00 O ATOM 23 CB SER A 3 -33.293 -2.791 4.024 1.00 0.00 C ATOM 24 OG SER A 3 -33.569 -1.892 2.953 1.00 0.00 O ATOM 0 H SER A 3 -33.965 -3.000 7.138 1.00 0.00 H new ATOM 0 HA SER A 3 -35.133 -2.027 4.791 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.332 -2.537 4.472 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.205 -3.805 3.633 1.00 0.00 H new ATOM 0 HG SER A 3 -32.851 -1.945 2.288 1.00 0.00 H new ATOM 30 N GLY A 4 -35.892 -4.439 4.274 1.00 0.00 N ATOM 31 CA GLY A 4 -36.591 -5.713 4.277 1.00 0.00 C ATOM 32 C GLY A 4 -37.539 -5.821 3.080 1.00 0.00 C ATOM 33 O GLY A 4 -38.538 -5.107 3.009 1.00 0.00 O ATOM 0 H GLY A 4 -36.116 -3.831 3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.868 -6.528 4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -37.155 -5.820 5.203 1.00 0.00 H new ATOM 37 N SER A 5 -37.192 -6.720 2.170 1.00 0.00 N ATOM 38 CA SER A 5 -38.000 -6.930 0.981 1.00 0.00 C ATOM 39 C SER A 5 -37.392 -8.045 0.127 1.00 0.00 C ATOM 40 O SER A 5 -36.285 -7.902 -0.390 1.00 0.00 O ATOM 41 CB SER A 5 -38.123 -5.642 0.164 1.00 0.00 C ATOM 42 OG SER A 5 -39.469 -5.178 0.100 1.00 0.00 O ATOM 0 H SER A 5 -36.363 -7.311 2.232 1.00 0.00 H new ATOM 0 HA SER A 5 -39.001 -7.226 1.295 1.00 0.00 H new ATOM 0 HB2 SER A 5 -37.494 -4.870 0.607 1.00 0.00 H new ATOM 0 HB3 SER A 5 -37.751 -5.816 -0.846 1.00 0.00 H new ATOM 0 HG SER A 5 -39.784 -4.963 1.003 1.00 0.00 H new ATOM 48 N SER A 6 -38.144 -9.129 0.005 1.00 0.00 N ATOM 49 CA SER A 6 -37.693 -10.267 -0.778 1.00 0.00 C ATOM 50 C SER A 6 -38.808 -11.311 -0.874 1.00 0.00 C ATOM 51 O SER A 6 -39.693 -11.358 -0.022 1.00 0.00 O ATOM 52 CB SER A 6 -36.434 -10.890 -0.171 1.00 0.00 C ATOM 53 OG SER A 6 -35.264 -10.560 -0.914 1.00 0.00 O ATOM 0 H SER A 6 -39.062 -9.243 0.435 1.00 0.00 H new ATOM 0 HA SER A 6 -37.445 -9.916 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 6 -36.319 -10.547 0.857 1.00 0.00 H new ATOM 0 HB3 SER A 6 -36.547 -11.974 -0.135 1.00 0.00 H new ATOM 0 HG SER A 6 -35.195 -9.586 -1.000 1.00 0.00 H new ATOM 59 N GLY A 7 -38.728 -12.121 -1.919 1.00 0.00 N ATOM 60 CA GLY A 7 -39.719 -13.161 -2.138 1.00 0.00 C ATOM 61 C GLY A 7 -39.252 -14.147 -3.211 1.00 0.00 C ATOM 62 O GLY A 7 -38.063 -14.445 -3.310 1.00 0.00 O ATOM 0 H GLY A 7 -37.992 -12.078 -2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -39.904 -13.694 -1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -40.664 -12.710 -2.440 1.00 0.00 H new ATOM 66 N PRO A 8 -40.239 -14.638 -4.008 1.00 0.00 N ATOM 67 CA PRO A 8 -39.941 -15.583 -5.070 1.00 0.00 C ATOM 68 C PRO A 8 -39.281 -14.883 -6.259 1.00 0.00 C ATOM 69 O PRO A 8 -39.943 -14.578 -7.251 1.00 0.00 O ATOM 70 CB PRO A 8 -41.279 -16.215 -5.420 1.00 0.00 C ATOM 71 CG PRO A 8 -42.340 -15.275 -4.873 1.00 0.00 C ATOM 72 CD PRO A 8 -41.658 -14.307 -3.920 1.00 0.00 C ATOM 0 HA PRO A 8 -39.223 -16.344 -4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -41.383 -16.337 -6.498 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -41.370 -17.207 -4.977 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -42.825 -14.733 -5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -43.117 -15.837 -4.355 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -41.842 -13.272 -4.208 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -42.030 -14.425 -2.902 1.00 0.00 H new ATOM 80 N THR A 9 -37.985 -14.647 -6.122 1.00 0.00 N ATOM 81 CA THR A 9 -37.228 -13.988 -7.172 1.00 0.00 C ATOM 82 C THR A 9 -35.859 -14.650 -7.339 1.00 0.00 C ATOM 83 O THR A 9 -34.897 -14.270 -6.673 1.00 0.00 O ATOM 84 CB THR A 9 -37.146 -12.499 -6.832 1.00 0.00 C ATOM 85 OG1 THR A 9 -36.422 -12.462 -5.605 1.00 0.00 O ATOM 86 CG2 THR A 9 -38.510 -11.902 -6.478 1.00 0.00 C ATOM 0 H THR A 9 -37.439 -14.901 -5.299 1.00 0.00 H new ATOM 0 HA THR A 9 -37.722 -14.089 -8.138 1.00 0.00 H new ATOM 0 HB THR A 9 -36.722 -11.957 -7.677 1.00 0.00 H new ATOM 0 HG1 THR A 9 -35.584 -12.960 -5.704 1.00 0.00 H new ATOM 0 HG21 THR A 9 -38.394 -10.843 -6.245 1.00 0.00 H new ATOM 0 HG22 THR A 9 -39.188 -12.016 -7.324 1.00 0.00 H new ATOM 0 HG23 THR A 9 -38.921 -12.421 -5.612 1.00 0.00 H new ATOM 94 N PRO A 10 -35.814 -15.654 -8.255 1.00 0.00 N ATOM 95 CA PRO A 10 -34.578 -16.372 -8.518 1.00 0.00 C ATOM 96 C PRO A 10 -33.616 -15.523 -9.350 1.00 0.00 C ATOM 97 O PRO A 10 -33.782 -15.399 -10.563 1.00 0.00 O ATOM 98 CB PRO A 10 -35.007 -17.648 -9.224 1.00 0.00 C ATOM 99 CG PRO A 10 -36.411 -17.384 -9.744 1.00 0.00 C ATOM 100 CD PRO A 10 -36.933 -16.130 -9.062 1.00 0.00 C ATOM 0 HA PRO A 10 -34.024 -16.603 -7.608 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -34.327 -17.890 -10.041 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -34.997 -18.496 -8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -36.399 -17.253 -10.826 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -37.062 -18.232 -9.533 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -37.241 -15.382 -9.792 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -37.803 -16.349 -8.443 1.00 0.00 H new ATOM 108 N ALA A 11 -32.632 -14.959 -8.666 1.00 0.00 N ATOM 109 CA ALA A 11 -31.643 -14.124 -9.328 1.00 0.00 C ATOM 110 C ALA A 11 -30.686 -13.548 -8.282 1.00 0.00 C ATOM 111 O ALA A 11 -31.114 -13.130 -7.207 1.00 0.00 O ATOM 112 CB ALA A 11 -32.352 -13.033 -10.133 1.00 0.00 C ATOM 0 H ALA A 11 -32.498 -15.063 -7.660 1.00 0.00 H new ATOM 0 HA ALA A 11 -31.051 -14.713 -10.028 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -31.610 -12.407 -10.629 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -32.997 -13.494 -10.881 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -32.954 -12.420 -9.463 1.00 0.00 H new ATOM 118 N PRO A 12 -29.375 -13.544 -8.643 1.00 0.00 N ATOM 119 CA PRO A 12 -28.354 -13.026 -7.748 1.00 0.00 C ATOM 120 C PRO A 12 -28.384 -11.496 -7.709 1.00 0.00 C ATOM 121 O PRO A 12 -29.094 -10.866 -8.490 1.00 0.00 O ATOM 122 CB PRO A 12 -27.044 -13.581 -8.282 1.00 0.00 C ATOM 123 CG PRO A 12 -27.324 -14.003 -9.716 1.00 0.00 C ATOM 124 CD PRO A 12 -28.832 -14.030 -9.907 1.00 0.00 C ATOM 0 HA PRO A 12 -28.508 -13.331 -6.713 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -26.256 -12.829 -8.243 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -26.706 -14.428 -7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -26.863 -13.306 -10.416 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -26.896 -14.985 -9.915 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -29.137 -13.395 -10.739 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -29.185 -15.037 -10.128 1.00 0.00 H new ATOM 132 N VAL A 13 -27.605 -10.945 -6.790 1.00 0.00 N ATOM 133 CA VAL A 13 -27.533 -9.501 -6.639 1.00 0.00 C ATOM 134 C VAL A 13 -26.073 -9.085 -6.448 1.00 0.00 C ATOM 135 O VAL A 13 -25.605 -8.952 -5.318 1.00 0.00 O ATOM 136 CB VAL A 13 -28.439 -9.050 -5.491 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.131 -9.829 -4.211 1.00 0.00 C ATOM 138 CG2 VAL A 13 -28.318 -7.543 -5.258 1.00 0.00 C ATOM 0 H VAL A 13 -27.018 -11.472 -6.143 1.00 0.00 H new ATOM 0 HA VAL A 13 -27.897 -9.004 -7.538 1.00 0.00 H new ATOM 0 HB VAL A 13 -29.470 -9.264 -5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -28.789 -9.489 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -28.291 -10.893 -4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -27.093 -9.661 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -28.972 -7.248 -4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -27.287 -7.295 -5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -28.609 -7.010 -6.163 1.00 0.00 H new ATOM 148 N TYR A 14 -25.396 -8.890 -7.569 1.00 0.00 N ATOM 149 CA TYR A 14 -23.999 -8.491 -7.540 1.00 0.00 C ATOM 150 C TYR A 14 -23.855 -7.027 -7.119 1.00 0.00 C ATOM 151 O TYR A 14 -24.849 -6.354 -6.853 1.00 0.00 O ATOM 152 CB TYR A 14 -23.484 -8.650 -8.972 1.00 0.00 C ATOM 153 CG TYR A 14 -23.549 -10.084 -9.501 1.00 0.00 C ATOM 154 CD1 TYR A 14 -22.548 -10.981 -9.187 1.00 0.00 C ATOM 155 CD2 TYR A 14 -24.608 -10.481 -10.292 1.00 0.00 C ATOM 156 CE1 TYR A 14 -22.609 -12.331 -9.685 1.00 0.00 C ATOM 157 CE2 TYR A 14 -24.669 -11.831 -10.789 1.00 0.00 C ATOM 158 CZ TYR A 14 -23.667 -12.689 -10.461 1.00 0.00 C ATOM 159 OH TYR A 14 -23.724 -13.964 -10.931 1.00 0.00 O ATOM 0 H TYR A 14 -25.789 -9.001 -8.504 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.442 -9.098 -6.826 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -24.065 -8.004 -9.630 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.451 -8.304 -9.016 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.719 -10.671 -8.568 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -25.391 -9.779 -10.538 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -21.832 -13.043 -9.448 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -25.492 -12.155 -11.408 1.00 0.00 H new ATOM 0 HH TYR A 14 -24.535 -14.078 -11.470 1.00 0.00 H new ATOM 169 N ASP A 15 -22.610 -6.578 -7.071 1.00 0.00 N ATOM 170 CA ASP A 15 -22.323 -5.206 -6.687 1.00 0.00 C ATOM 171 C ASP A 15 -20.821 -5.053 -6.442 1.00 0.00 C ATOM 172 O ASP A 15 -20.407 -4.523 -5.413 1.00 0.00 O ATOM 173 CB ASP A 15 -23.053 -4.832 -5.395 1.00 0.00 C ATOM 174 CG ASP A 15 -24.414 -4.161 -5.593 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.554 -3.451 -6.612 1.00 0.00 O ATOM 176 OD2 ASP A 15 -25.283 -4.374 -4.720 1.00 0.00 O ATOM 0 H ASP A 15 -21.788 -7.140 -7.292 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.658 -4.553 -7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.193 -5.734 -4.800 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.416 -4.164 -4.816 1.00 0.00 H new ATOM 181 N VAL A 16 -20.045 -5.526 -7.407 1.00 0.00 N ATOM 182 CA VAL A 16 -18.598 -5.448 -7.309 1.00 0.00 C ATOM 183 C VAL A 16 -18.152 -5.992 -5.950 1.00 0.00 C ATOM 184 O VAL A 16 -18.958 -6.101 -5.027 1.00 0.00 O ATOM 185 CB VAL A 16 -18.133 -4.012 -7.560 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.480 -3.564 -8.981 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.724 -3.056 -6.522 1.00 0.00 C ATOM 0 H VAL A 16 -20.392 -5.964 -8.260 1.00 0.00 H new ATOM 0 HA VAL A 16 -18.130 -6.066 -8.075 1.00 0.00 H new ATOM 0 HB VAL A 16 -17.048 -3.987 -7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -18.139 -2.540 -9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.989 -4.221 -9.700 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.560 -3.612 -9.124 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.378 -2.042 -6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.812 -3.086 -6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.403 -3.358 -5.525 1.00 0.00 H new ATOM 197 N PRO A 17 -16.837 -6.328 -5.868 1.00 0.00 N ATOM 198 CA PRO A 17 -16.275 -6.858 -4.637 1.00 0.00 C ATOM 199 C PRO A 17 -16.093 -5.751 -3.597 1.00 0.00 C ATOM 200 O PRO A 17 -15.449 -4.739 -3.868 1.00 0.00 O ATOM 201 CB PRO A 17 -14.964 -7.506 -5.051 1.00 0.00 C ATOM 202 CG PRO A 17 -14.616 -6.914 -6.407 1.00 0.00 C ATOM 203 CD PRO A 17 -15.854 -6.213 -6.941 1.00 0.00 C ATOM 0 HA PRO A 17 -16.928 -7.585 -4.154 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.180 -7.301 -4.322 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.066 -8.589 -5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.789 -6.210 -6.315 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.294 -7.697 -7.094 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.647 -5.169 -7.178 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.211 -6.683 -7.857 1.00 0.00 H new ATOM 211 N ASN A 18 -16.672 -5.981 -2.427 1.00 0.00 N ATOM 212 CA ASN A 18 -16.582 -5.016 -1.345 1.00 0.00 C ATOM 213 C ASN A 18 -15.122 -4.600 -1.159 1.00 0.00 C ATOM 214 O ASN A 18 -14.215 -5.266 -1.656 1.00 0.00 O ATOM 215 CB ASN A 18 -17.073 -5.619 -0.027 1.00 0.00 C ATOM 216 CG ASN A 18 -18.580 -5.416 0.141 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.279 -5.603 -0.975 1.00 0.00 O flip ATOM 218 ND2 ASN A 18 -19.075 -5.111 1.213 1.00 0.00 N flip ATOM 0 H ASN A 18 -17.205 -6.822 -2.205 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.205 -4.160 -1.604 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.841 -6.684 -0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.545 -5.157 0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -18.480 -4.983 2.031 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -20.084 -4.984 1.291 1.00 0.00 H new ATOM 225 N PRO A 19 -14.935 -3.471 -0.424 1.00 0.00 N ATOM 226 CA PRO A 19 -13.600 -2.958 -0.167 1.00 0.00 C ATOM 227 C PRO A 19 -12.881 -3.804 0.886 1.00 0.00 C ATOM 228 O PRO A 19 -13.514 -4.343 1.792 1.00 0.00 O ATOM 229 CB PRO A 19 -13.810 -1.517 0.271 1.00 0.00 C ATOM 230 CG PRO A 19 -15.268 -1.417 0.689 1.00 0.00 C ATOM 231 CD PRO A 19 -15.986 -2.656 0.179 1.00 0.00 C ATOM 0 HA PRO A 19 -12.955 -3.004 -1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.148 -1.260 1.098 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.588 -0.825 -0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.350 -1.348 1.774 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.722 -0.516 0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.483 -3.188 0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.754 -2.397 -0.550 1.00 0.00 H new ATOM 239 N PRO A 20 -11.534 -3.895 0.727 1.00 0.00 N ATOM 240 CA PRO A 20 -10.721 -4.666 1.653 1.00 0.00 C ATOM 241 C PRO A 20 -10.550 -3.924 2.980 1.00 0.00 C ATOM 242 O PRO A 20 -10.936 -2.763 3.101 1.00 0.00 O ATOM 243 CB PRO A 20 -9.406 -4.895 0.926 1.00 0.00 C ATOM 244 CG PRO A 20 -9.357 -3.856 -0.183 1.00 0.00 C ATOM 245 CD PRO A 20 -10.750 -3.269 -0.334 1.00 0.00 C ATOM 0 HA PRO A 20 -11.180 -5.616 1.926 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.560 -4.783 1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.356 -5.905 0.518 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.637 -3.074 0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.031 -4.311 -1.118 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.736 -2.184 -0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.168 -3.488 -1.317 1.00 0.00 H new ATOM 253 N PHE A 21 -9.969 -4.626 3.943 1.00 0.00 N ATOM 254 CA PHE A 21 -9.741 -4.049 5.256 1.00 0.00 C ATOM 255 C PHE A 21 -8.528 -4.690 5.934 1.00 0.00 C ATOM 256 O PHE A 21 -7.948 -5.638 5.408 1.00 0.00 O ATOM 257 CB PHE A 21 -10.989 -4.336 6.093 1.00 0.00 C ATOM 258 CG PHE A 21 -11.415 -5.805 6.092 1.00 0.00 C ATOM 259 CD1 PHE A 21 -10.905 -6.662 7.017 1.00 0.00 C ATOM 260 CD2 PHE A 21 -12.304 -6.254 5.166 1.00 0.00 C ATOM 261 CE1 PHE A 21 -11.300 -8.026 7.015 1.00 0.00 C ATOM 262 CE2 PHE A 21 -12.700 -7.618 5.165 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.189 -8.475 6.090 1.00 0.00 C ATOM 0 H PHE A 21 -9.650 -5.589 3.839 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.549 -2.980 5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.805 -4.023 7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.813 -3.729 5.718 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.200 -6.305 7.753 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.709 -5.574 4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -10.894 -8.707 7.749 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.407 -7.975 4.430 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.490 -9.512 6.089 1.00 0.00 H new ATOM 273 N ASP A 22 -8.182 -4.147 7.092 1.00 0.00 N ATOM 274 CA ASP A 22 -7.049 -4.654 7.847 1.00 0.00 C ATOM 275 C ASP A 22 -5.754 -4.312 7.107 1.00 0.00 C ATOM 276 O ASP A 22 -4.736 -4.978 7.290 1.00 0.00 O ATOM 277 CB ASP A 22 -7.121 -6.175 7.994 1.00 0.00 C ATOM 278 CG ASP A 22 -6.752 -6.709 9.379 1.00 0.00 C ATOM 279 OD1 ASP A 22 -5.797 -6.155 9.965 1.00 0.00 O ATOM 280 OD2 ASP A 22 -7.434 -7.659 9.821 1.00 0.00 O ATOM 0 H ASP A 22 -8.666 -3.361 7.526 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.070 -4.195 8.835 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.133 -6.501 7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.457 -6.628 7.258 1.00 0.00 H new ATOM 285 N LEU A 23 -5.835 -3.273 6.288 1.00 0.00 N ATOM 286 CA LEU A 23 -4.682 -2.835 5.520 1.00 0.00 C ATOM 287 C LEU A 23 -3.551 -2.454 6.478 1.00 0.00 C ATOM 288 O LEU A 23 -3.777 -1.749 7.461 1.00 0.00 O ATOM 289 CB LEU A 23 -5.075 -1.713 4.556 1.00 0.00 C ATOM 290 CG LEU A 23 -5.082 -2.078 3.070 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.283 -2.961 2.728 1.00 0.00 C ATOM 292 CD2 LEU A 23 -5.026 -0.822 2.198 1.00 0.00 C ATOM 0 H LEU A 23 -6.681 -2.722 6.140 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.311 -3.647 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.070 -1.359 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.389 -0.879 4.702 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.185 -2.659 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.264 -3.206 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.238 -3.880 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.205 -2.428 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.032 -1.109 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.892 -0.194 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.114 -0.267 2.418 1.00 0.00 H new ATOM 304 N GLU A 24 -2.360 -2.936 6.158 1.00 0.00 N ATOM 305 CA GLU A 24 -1.194 -2.655 6.978 1.00 0.00 C ATOM 306 C GLU A 24 0.089 -2.921 6.186 1.00 0.00 C ATOM 307 O GLU A 24 0.101 -3.751 5.279 1.00 0.00 O ATOM 308 CB GLU A 24 -1.220 -3.475 8.269 1.00 0.00 C ATOM 309 CG GLU A 24 -1.263 -2.564 9.497 1.00 0.00 C ATOM 310 CD GLU A 24 -1.911 -3.276 10.687 1.00 0.00 C ATOM 311 OE1 GLU A 24 -1.200 -4.088 11.318 1.00 0.00 O ATOM 312 OE2 GLU A 24 -3.102 -2.993 10.938 1.00 0.00 O ATOM 0 H GLU A 24 -2.177 -3.520 5.342 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.216 -1.601 7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.090 -4.132 8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.338 -4.113 8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.251 -2.255 9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.822 -1.658 9.263 1.00 0.00 H new ATOM 319 N LEU A 25 1.136 -2.200 6.559 1.00 0.00 N ATOM 320 CA LEU A 25 2.420 -2.347 5.895 1.00 0.00 C ATOM 321 C LEU A 25 3.383 -3.097 6.817 1.00 0.00 C ATOM 322 O LEU A 25 3.478 -2.788 8.004 1.00 0.00 O ATOM 323 CB LEU A 25 2.944 -0.986 5.433 1.00 0.00 C ATOM 324 CG LEU A 25 2.151 -0.306 4.315 1.00 0.00 C ATOM 325 CD1 LEU A 25 2.186 -1.139 3.033 1.00 0.00 C ATOM 326 CD2 LEU A 25 0.720 -0.004 4.764 1.00 0.00 C ATOM 0 H LEU A 25 1.121 -1.513 7.312 1.00 0.00 H new ATOM 0 HA LEU A 25 2.314 -2.945 4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.968 -0.317 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.974 -1.110 5.097 1.00 0.00 H new ATOM 0 HG LEU A 25 2.626 0.649 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.615 -0.633 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.219 -1.259 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.750 -2.119 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.178 0.479 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.219 -0.934 5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.742 0.658 5.629 1.00 0.00 H new ATOM 338 N THR A 26 4.074 -4.067 6.237 1.00 0.00 N ATOM 339 CA THR A 26 5.026 -4.863 6.992 1.00 0.00 C ATOM 340 C THR A 26 6.175 -5.319 6.090 1.00 0.00 C ATOM 341 O THR A 26 5.976 -6.131 5.188 1.00 0.00 O ATOM 342 CB THR A 26 4.266 -6.022 7.640 1.00 0.00 C ATOM 343 OG1 THR A 26 3.395 -6.484 6.610 1.00 0.00 O ATOM 344 CG2 THR A 26 3.319 -5.555 8.747 1.00 0.00 C ATOM 0 H THR A 26 3.993 -4.320 5.252 1.00 0.00 H new ATOM 0 HA THR A 26 5.490 -4.276 7.785 1.00 0.00 H new ATOM 0 HB THR A 26 4.977 -6.739 8.050 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.912 -6.651 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.805 -6.416 9.173 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.891 -5.051 9.526 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.586 -4.864 8.331 1.00 0.00 H new ATOM 352 N ASP A 27 7.352 -4.775 6.364 1.00 0.00 N ATOM 353 CA ASP A 27 8.532 -5.116 5.588 1.00 0.00 C ATOM 354 C ASP A 27 9.758 -5.107 6.503 1.00 0.00 C ATOM 355 O ASP A 27 9.653 -4.786 7.685 1.00 0.00 O ATOM 356 CB ASP A 27 8.769 -4.098 4.470 1.00 0.00 C ATOM 357 CG ASP A 27 9.611 -2.884 4.868 1.00 0.00 C ATOM 358 OD1 ASP A 27 9.565 -2.530 6.066 1.00 0.00 O ATOM 359 OD2 ASP A 27 10.282 -2.338 3.966 1.00 0.00 O ATOM 0 H ASP A 27 7.513 -4.101 7.112 1.00 0.00 H new ATOM 0 HA ASP A 27 8.375 -6.102 5.151 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.258 -4.603 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.803 -3.748 4.107 1.00 0.00 H new ATOM 364 N GLN A 28 10.894 -5.463 5.920 1.00 0.00 N ATOM 365 CA GLN A 28 12.139 -5.501 6.668 1.00 0.00 C ATOM 366 C GLN A 28 13.301 -5.033 5.789 1.00 0.00 C ATOM 367 O GLN A 28 14.461 -5.306 6.091 1.00 0.00 O ATOM 368 CB GLN A 28 12.402 -6.901 7.225 1.00 0.00 C ATOM 369 CG GLN A 28 12.608 -7.911 6.095 1.00 0.00 C ATOM 370 CD GLN A 28 11.784 -9.178 6.334 1.00 0.00 C ATOM 371 OE1 GLN A 28 11.757 -9.736 7.419 1.00 0.00 O ATOM 372 NE2 GLN A 28 11.117 -9.600 5.264 1.00 0.00 N ATOM 0 H GLN A 28 10.978 -5.728 4.938 1.00 0.00 H new ATOM 0 HA GLN A 28 12.052 -4.820 7.515 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.284 -6.882 7.865 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.563 -7.212 7.847 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.322 -7.461 5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.665 -8.169 6.021 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.184 -9.085 4.386 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.539 -10.438 5.321 1.00 0.00 H new ATOM 381 N LEU A 29 12.948 -4.337 4.719 1.00 0.00 N ATOM 382 CA LEU A 29 13.946 -3.829 3.794 1.00 0.00 C ATOM 383 C LEU A 29 13.420 -2.555 3.130 1.00 0.00 C ATOM 384 O LEU A 29 12.578 -2.619 2.235 1.00 0.00 O ATOM 385 CB LEU A 29 14.357 -4.916 2.799 1.00 0.00 C ATOM 386 CG LEU A 29 15.862 -5.113 2.604 1.00 0.00 C ATOM 387 CD1 LEU A 29 16.544 -3.795 2.233 1.00 0.00 C ATOM 388 CD2 LEU A 29 16.494 -5.758 3.839 1.00 0.00 C ATOM 0 H LEU A 29 11.984 -4.113 4.472 1.00 0.00 H new ATOM 0 HA LEU A 29 14.856 -3.557 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.926 -5.862 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.913 -4.682 1.831 1.00 0.00 H new ATOM 0 HG LEU A 29 16.012 -5.798 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.613 -3.963 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.119 -3.414 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.387 -3.067 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.564 -5.887 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.335 -5.117 4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.034 -6.730 4.017 1.00 0.00 H new ATOM 400 N ASP A 30 13.937 -1.427 3.594 1.00 0.00 N ATOM 401 CA ASP A 30 13.529 -0.140 3.056 1.00 0.00 C ATOM 402 C ASP A 30 13.770 -0.123 1.546 1.00 0.00 C ATOM 403 O ASP A 30 14.856 0.235 1.091 1.00 0.00 O ATOM 404 CB ASP A 30 14.341 0.999 3.677 1.00 0.00 C ATOM 405 CG ASP A 30 13.711 2.387 3.548 1.00 0.00 C ATOM 406 OD1 ASP A 30 12.462 2.444 3.531 1.00 0.00 O ATOM 407 OD2 ASP A 30 14.492 3.360 3.470 1.00 0.00 O ATOM 0 H ASP A 30 14.635 -1.377 4.336 1.00 0.00 H new ATOM 0 HA ASP A 30 12.473 0.002 3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.493 0.782 4.734 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.326 1.019 3.211 1.00 0.00 H new ATOM 412 N LYS A 31 12.740 -0.515 0.810 1.00 0.00 N ATOM 413 CA LYS A 31 12.827 -0.550 -0.640 1.00 0.00 C ATOM 414 C LYS A 31 11.525 -1.115 -1.211 1.00 0.00 C ATOM 415 O LYS A 31 10.964 -0.559 -2.155 1.00 0.00 O ATOM 416 CB LYS A 31 14.076 -1.315 -1.084 1.00 0.00 C ATOM 417 CG LYS A 31 14.994 -0.425 -1.925 1.00 0.00 C ATOM 418 CD LYS A 31 14.341 -0.073 -3.263 1.00 0.00 C ATOM 419 CE LYS A 31 14.275 -1.296 -4.179 1.00 0.00 C ATOM 420 NZ LYS A 31 14.646 -0.928 -5.564 1.00 0.00 N ATOM 0 H LYS A 31 11.841 -0.811 1.191 1.00 0.00 H new ATOM 0 HA LYS A 31 12.940 0.458 -1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.616 -1.676 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.784 -2.191 -1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.223 0.489 -1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.940 -0.936 -2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.336 0.312 -3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.907 0.721 -3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.947 -2.071 -3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.269 -1.714 -4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.596 -1.770 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.988 -0.205 -5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.615 -0.550 -5.575 1.00 0.00 H new ATOM 434 N SER A 32 11.081 -2.212 -0.615 1.00 0.00 N ATOM 435 CA SER A 32 9.855 -2.858 -1.053 1.00 0.00 C ATOM 436 C SER A 32 8.965 -3.162 0.154 1.00 0.00 C ATOM 437 O SER A 32 9.155 -4.171 0.831 1.00 0.00 O ATOM 438 CB SER A 32 10.156 -4.142 -1.828 1.00 0.00 C ATOM 439 OG SER A 32 10.273 -3.905 -3.228 1.00 0.00 O ATOM 0 H SER A 32 11.548 -2.670 0.168 1.00 0.00 H new ATOM 0 HA SER A 32 9.329 -2.177 -1.722 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.082 -4.581 -1.456 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.363 -4.868 -1.648 1.00 0.00 H new ATOM 0 HG SER A 32 10.467 -4.749 -3.687 1.00 0.00 H new ATOM 445 N VAL A 33 8.012 -2.271 0.385 1.00 0.00 N ATOM 446 CA VAL A 33 7.092 -2.432 1.498 1.00 0.00 C ATOM 447 C VAL A 33 5.945 -3.353 1.078 1.00 0.00 C ATOM 448 O VAL A 33 5.386 -3.198 -0.007 1.00 0.00 O ATOM 449 CB VAL A 33 6.611 -1.062 1.982 1.00 0.00 C ATOM 450 CG1 VAL A 33 5.649 -0.431 0.973 1.00 0.00 C ATOM 451 CG2 VAL A 33 5.966 -1.164 3.365 1.00 0.00 C ATOM 0 H VAL A 33 7.857 -1.436 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 33 7.595 -2.903 2.343 1.00 0.00 H new ATOM 0 HB VAL A 33 7.482 -0.412 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.322 0.542 1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.156 -0.305 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.783 -1.079 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.633 -0.177 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.111 -1.838 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.694 -1.550 4.078 1.00 0.00 H new ATOM 461 N GLN A 34 5.630 -4.292 1.957 1.00 0.00 N ATOM 462 CA GLN A 34 4.560 -5.239 1.691 1.00 0.00 C ATOM 463 C GLN A 34 3.226 -4.689 2.199 1.00 0.00 C ATOM 464 O GLN A 34 3.129 -4.242 3.341 1.00 0.00 O ATOM 465 CB GLN A 34 4.865 -6.601 2.316 1.00 0.00 C ATOM 466 CG GLN A 34 3.903 -7.671 1.795 1.00 0.00 C ATOM 467 CD GLN A 34 4.632 -8.675 0.899 1.00 0.00 C ATOM 468 OE1 GLN A 34 5.553 -8.342 0.172 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.168 -9.918 0.991 1.00 0.00 N ATOM 0 H GLN A 34 6.097 -4.418 2.855 1.00 0.00 H new ATOM 0 HA GLN A 34 4.486 -5.380 0.613 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.892 -6.888 2.088 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.786 -6.533 3.401 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.445 -8.193 2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.096 -7.198 1.236 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.393 -10.128 1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.587 -10.661 0.432 1.00 0.00 H new ATOM 478 N LEU A 35 2.230 -4.740 1.326 1.00 0.00 N ATOM 479 CA LEU A 35 0.906 -4.252 1.672 1.00 0.00 C ATOM 480 C LEU A 35 -0.048 -5.439 1.815 1.00 0.00 C ATOM 481 O LEU A 35 -0.378 -6.098 0.830 1.00 0.00 O ATOM 482 CB LEU A 35 0.439 -3.206 0.659 1.00 0.00 C ATOM 483 CG LEU A 35 -0.895 -2.522 0.967 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.757 -1.556 2.145 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.459 -1.833 -0.277 1.00 0.00 C ATOM 0 H LEU A 35 2.314 -5.112 0.380 1.00 0.00 H new ATOM 0 HA LEU A 35 0.927 -3.742 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.208 -2.438 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.363 -3.684 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.611 -3.289 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.719 -1.084 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.434 -2.105 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.020 -0.790 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.407 -1.355 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.753 -1.080 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.619 -2.573 -1.061 1.00 0.00 H new ATOM 497 N SER A 36 -0.466 -5.677 3.050 1.00 0.00 N ATOM 498 CA SER A 36 -1.376 -6.774 3.334 1.00 0.00 C ATOM 499 C SER A 36 -2.805 -6.245 3.471 1.00 0.00 C ATOM 500 O SER A 36 -3.095 -5.455 4.368 1.00 0.00 O ATOM 501 CB SER A 36 -0.961 -7.518 4.605 1.00 0.00 C ATOM 502 OG SER A 36 0.410 -7.906 4.573 1.00 0.00 O ATOM 0 H SER A 36 -0.191 -5.129 3.865 1.00 0.00 H new ATOM 0 HA SER A 36 -1.334 -7.478 2.503 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.137 -6.881 5.472 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.585 -8.403 4.727 1.00 0.00 H new ATOM 0 HG SER A 36 0.636 -8.376 5.402 1.00 0.00 H new ATOM 508 N TRP A 37 -3.660 -6.703 2.569 1.00 0.00 N ATOM 509 CA TRP A 37 -5.052 -6.286 2.578 1.00 0.00 C ATOM 510 C TRP A 37 -5.920 -7.540 2.693 1.00 0.00 C ATOM 511 O TRP A 37 -5.448 -8.651 2.455 1.00 0.00 O ATOM 512 CB TRP A 37 -5.380 -5.443 1.343 1.00 0.00 C ATOM 513 CG TRP A 37 -5.193 -6.183 0.017 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.051 -7.013 -0.593 1.00 0.00 C ATOM 515 CD2 TRP A 37 -4.036 -6.125 -0.844 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.533 -7.492 -1.779 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.269 -6.935 -1.936 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.833 -5.412 -0.704 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.345 -7.109 -2.973 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.919 -5.597 -1.749 1.00 0.00 C ATOM 521 CH2 TRP A 37 -2.139 -6.409 -2.855 1.00 0.00 C ATOM 0 H TRP A 37 -3.416 -7.359 1.827 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.256 -5.641 3.433 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.412 -5.100 1.414 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.748 -4.555 1.344 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.025 -7.274 -0.205 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -5.993 -8.136 -2.422 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.630 -4.772 0.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.552 -7.749 -3.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.977 -5.072 -1.691 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.382 -6.499 -3.620 1.00 0.00 H new ATOM 532 N THR A 38 -7.175 -7.321 3.058 1.00 0.00 N ATOM 533 CA THR A 38 -8.114 -8.420 3.208 1.00 0.00 C ATOM 534 C THR A 38 -9.401 -8.132 2.433 1.00 0.00 C ATOM 535 O THR A 38 -10.161 -7.236 2.797 1.00 0.00 O ATOM 536 CB THR A 38 -8.343 -8.646 4.704 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.070 -9.064 5.191 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.259 -9.839 4.983 1.00 0.00 C ATOM 0 H THR A 38 -7.563 -6.399 3.254 1.00 0.00 H new ATOM 0 HA THR A 38 -7.715 -9.341 2.783 1.00 0.00 H new ATOM 0 HB THR A 38 -8.774 -7.747 5.145 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.127 -9.231 6.155 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.388 -9.955 6.059 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.230 -9.669 4.517 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.813 -10.744 4.572 1.00 0.00 H new ATOM 546 N PRO A 39 -9.611 -8.928 1.351 1.00 0.00 N ATOM 547 CA PRO A 39 -10.793 -8.767 0.521 1.00 0.00 C ATOM 548 C PRO A 39 -12.033 -9.329 1.218 1.00 0.00 C ATOM 549 O PRO A 39 -12.140 -10.538 1.422 1.00 0.00 O ATOM 550 CB PRO A 39 -10.463 -9.486 -0.777 1.00 0.00 C ATOM 551 CG PRO A 39 -9.303 -10.415 -0.456 1.00 0.00 C ATOM 552 CD PRO A 39 -8.732 -9.998 0.890 1.00 0.00 C ATOM 0 HA PRO A 39 -11.035 -7.721 0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.323 -10.047 -1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.190 -8.776 -1.558 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.641 -11.451 -0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.539 -10.354 -1.231 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.722 -10.832 1.591 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.703 -9.651 0.793 1.00 0.00 H new ATOM 560 N GLY A 40 -12.938 -8.426 1.565 1.00 0.00 N ATOM 561 CA GLY A 40 -14.166 -8.817 2.236 1.00 0.00 C ATOM 562 C GLY A 40 -15.063 -9.635 1.304 1.00 0.00 C ATOM 563 O GLY A 40 -14.574 -10.455 0.528 1.00 0.00 O ATOM 0 H GLY A 40 -12.845 -7.425 1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.929 -9.402 3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.700 -7.928 2.573 1.00 0.00 H new ATOM 567 N ASP A 41 -16.359 -9.384 1.412 1.00 0.00 N ATOM 568 CA ASP A 41 -17.329 -10.087 0.589 1.00 0.00 C ATOM 569 C ASP A 41 -17.018 -9.832 -0.888 1.00 0.00 C ATOM 570 O ASP A 41 -16.366 -8.846 -1.227 1.00 0.00 O ATOM 571 CB ASP A 41 -18.749 -9.591 0.865 1.00 0.00 C ATOM 572 CG ASP A 41 -19.142 -9.548 2.343 1.00 0.00 C ATOM 573 OD1 ASP A 41 -19.248 -10.644 2.935 1.00 0.00 O ATOM 574 OD2 ASP A 41 -19.329 -8.419 2.848 1.00 0.00 O ATOM 0 H ASP A 41 -16.761 -8.703 2.057 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.266 -11.149 0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.856 -8.590 0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.452 -10.235 0.336 1.00 0.00 H new ATOM 579 N ASP A 42 -17.500 -10.737 -1.726 1.00 0.00 N ATOM 580 CA ASP A 42 -17.283 -10.623 -3.158 1.00 0.00 C ATOM 581 C ASP A 42 -18.600 -10.249 -3.842 1.00 0.00 C ATOM 582 O ASP A 42 -18.603 -9.798 -4.986 1.00 0.00 O ATOM 583 CB ASP A 42 -16.802 -11.949 -3.750 1.00 0.00 C ATOM 584 CG ASP A 42 -15.942 -12.801 -2.814 1.00 0.00 C ATOM 585 OD1 ASP A 42 -15.047 -12.210 -2.171 1.00 0.00 O ATOM 586 OD2 ASP A 42 -16.198 -14.023 -2.763 1.00 0.00 O ATOM 0 H ASP A 42 -18.041 -11.553 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.524 -9.858 -3.324 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.672 -12.532 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.230 -11.740 -4.654 1.00 0.00 H new ATOM 591 N ASN A 43 -19.686 -10.451 -3.111 1.00 0.00 N ATOM 592 CA ASN A 43 -21.007 -10.141 -3.633 1.00 0.00 C ATOM 593 C ASN A 43 -21.267 -10.984 -4.883 1.00 0.00 C ATOM 594 O ASN A 43 -21.366 -10.449 -5.987 1.00 0.00 O ATOM 595 CB ASN A 43 -21.112 -8.667 -4.026 1.00 0.00 C ATOM 596 CG ASN A 43 -21.158 -7.771 -2.787 1.00 0.00 C ATOM 597 OD1 ASN A 43 -20.201 -8.025 -1.899 1.00 0.00 O flip ATOM 598 ND2 ASN A 43 -22.007 -6.906 -2.646 1.00 0.00 N flip ATOM 0 H ASN A 43 -19.679 -10.825 -2.162 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.737 -10.359 -2.854 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.260 -8.391 -4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -22.008 -8.510 -4.626 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -22.714 -6.763 -3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -22.010 -6.326 -1.807 1.00 0.00 H new ATOM 605 N ASN A 44 -21.370 -12.287 -4.669 1.00 0.00 N ATOM 606 CA ASN A 44 -21.617 -13.209 -5.765 1.00 0.00 C ATOM 607 C ASN A 44 -20.389 -13.250 -6.677 1.00 0.00 C ATOM 608 O ASN A 44 -19.774 -14.302 -6.849 1.00 0.00 O ATOM 609 CB ASN A 44 -22.813 -12.758 -6.605 1.00 0.00 C ATOM 610 CG ASN A 44 -24.102 -12.784 -5.781 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.626 -11.582 -5.557 1.00 0.00 O flip ATOM 612 ND2 ASN A 44 -24.589 -13.827 -5.375 1.00 0.00 N flip ATOM 0 H ASN A 44 -21.287 -12.727 -3.752 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.824 -14.191 -5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.638 -11.750 -6.982 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.919 -13.409 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -24.135 -14.717 -5.583 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -25.450 -13.809 -4.828 1.00 0.00 H new ATOM 619 N SER A 45 -20.067 -12.094 -7.237 1.00 0.00 N ATOM 620 CA SER A 45 -18.924 -11.985 -8.126 1.00 0.00 C ATOM 621 C SER A 45 -17.625 -12.082 -7.323 1.00 0.00 C ATOM 622 O SER A 45 -17.322 -11.204 -6.517 1.00 0.00 O ATOM 623 CB SER A 45 -18.962 -10.675 -8.916 1.00 0.00 C ATOM 624 OG SER A 45 -19.960 -10.694 -9.933 1.00 0.00 O ATOM 0 H SER A 45 -20.579 -11.224 -7.092 1.00 0.00 H new ATOM 0 HA SER A 45 -18.966 -12.809 -8.839 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.154 -9.846 -8.235 1.00 0.00 H new ATOM 0 HB3 SER A 45 -17.987 -10.496 -9.368 1.00 0.00 H new ATOM 0 HG SER A 45 -20.661 -11.335 -9.692 1.00 0.00 H new ATOM 630 N PRO A 46 -16.873 -13.187 -7.579 1.00 0.00 N ATOM 631 CA PRO A 46 -15.614 -13.410 -6.889 1.00 0.00 C ATOM 632 C PRO A 46 -14.518 -12.495 -7.438 1.00 0.00 C ATOM 633 O PRO A 46 -14.501 -12.185 -8.628 1.00 0.00 O ATOM 634 CB PRO A 46 -15.311 -14.886 -7.091 1.00 0.00 C ATOM 635 CG PRO A 46 -16.164 -15.329 -8.269 1.00 0.00 C ATOM 636 CD PRO A 46 -17.200 -14.247 -8.527 1.00 0.00 C ATOM 0 HA PRO A 46 -15.668 -13.169 -5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.252 -15.043 -7.295 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.552 -15.460 -6.196 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.544 -15.483 -9.153 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.651 -16.280 -8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.150 -13.888 -9.555 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.211 -14.621 -8.369 1.00 0.00 H new ATOM 644 N ILE A 47 -13.629 -12.088 -6.544 1.00 0.00 N ATOM 645 CA ILE A 47 -12.532 -11.214 -6.924 1.00 0.00 C ATOM 646 C ILE A 47 -11.655 -11.923 -7.958 1.00 0.00 C ATOM 647 O ILE A 47 -11.436 -13.130 -7.868 1.00 0.00 O ATOM 648 CB ILE A 47 -11.765 -10.747 -5.685 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.831 -9.225 -5.540 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.323 -11.259 -5.707 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.281 -8.532 -6.788 1.00 0.00 C ATOM 0 H ILE A 47 -13.646 -12.347 -5.558 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.913 -10.308 -7.395 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.245 -11.175 -4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.863 -8.916 -5.373 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.260 -8.914 -4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.800 -10.913 -4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.324 -12.349 -5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.816 -10.881 -6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.339 -7.451 -6.659 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.242 -8.824 -6.938 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.870 -8.826 -7.657 1.00 0.00 H new ATOM 663 N THR A 48 -11.179 -11.142 -8.917 1.00 0.00 N ATOM 664 CA THR A 48 -10.331 -11.680 -9.967 1.00 0.00 C ATOM 665 C THR A 48 -9.026 -10.887 -10.059 1.00 0.00 C ATOM 666 O THR A 48 -7.981 -11.440 -10.397 1.00 0.00 O ATOM 667 CB THR A 48 -11.135 -11.681 -11.269 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.255 -10.301 -11.604 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.579 -12.143 -11.066 1.00 0.00 C ATOM 0 H THR A 48 -11.364 -10.142 -8.989 1.00 0.00 H new ATOM 0 HA THR A 48 -10.035 -12.706 -9.749 1.00 0.00 H new ATOM 0 HB THR A 48 -10.646 -12.329 -11.996 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.518 -9.793 -10.808 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.104 -12.125 -12.021 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.584 -13.158 -10.668 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.079 -11.476 -10.364 1.00 0.00 H new ATOM 677 N LYS A 49 -9.130 -9.602 -9.752 1.00 0.00 N ATOM 678 CA LYS A 49 -7.971 -8.726 -9.796 1.00 0.00 C ATOM 679 C LYS A 49 -7.999 -7.790 -8.586 1.00 0.00 C ATOM 680 O LYS A 49 -9.052 -7.573 -7.989 1.00 0.00 O ATOM 681 CB LYS A 49 -7.902 -7.995 -11.138 1.00 0.00 C ATOM 682 CG LYS A 49 -7.345 -6.581 -10.964 1.00 0.00 C ATOM 683 CD LYS A 49 -7.182 -5.885 -12.316 1.00 0.00 C ATOM 684 CE LYS A 49 -8.537 -5.697 -13.002 1.00 0.00 C ATOM 685 NZ LYS A 49 -8.504 -6.250 -14.375 1.00 0.00 N ATOM 0 H LYS A 49 -9.999 -9.147 -9.472 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.051 -9.307 -9.729 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.272 -8.555 -11.829 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.897 -7.946 -11.581 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.013 -5.999 -10.330 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.382 -6.626 -10.456 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.704 -4.916 -12.175 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.525 -6.474 -12.956 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.316 -6.192 -12.423 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.790 -4.637 -13.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.431 -6.114 -14.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.774 -5.759 -14.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.284 -7.266 -14.335 1.00 0.00 H new ATOM 699 N PHE A 50 -6.829 -7.261 -8.260 1.00 0.00 N ATOM 700 CA PHE A 50 -6.706 -6.353 -7.133 1.00 0.00 C ATOM 701 C PHE A 50 -5.800 -5.169 -7.478 1.00 0.00 C ATOM 702 O PHE A 50 -4.580 -5.312 -7.532 1.00 0.00 O ATOM 703 CB PHE A 50 -6.074 -7.146 -5.987 1.00 0.00 C ATOM 704 CG PHE A 50 -7.080 -7.941 -5.151 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.239 -7.357 -4.747 1.00 0.00 C ATOM 706 CD2 PHE A 50 -6.814 -9.231 -4.814 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.173 -8.095 -3.971 1.00 0.00 C ATOM 708 CE2 PHE A 50 -7.747 -9.969 -4.039 1.00 0.00 C ATOM 709 CZ PHE A 50 -8.907 -9.385 -3.634 1.00 0.00 C ATOM 0 H PHE A 50 -5.957 -7.444 -8.757 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.686 -5.959 -6.864 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.335 -7.834 -6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.539 -6.457 -5.334 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.450 -6.332 -5.016 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.893 -9.694 -5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.094 -7.631 -3.649 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.536 -10.994 -3.771 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.617 -9.946 -3.045 1.00 0.00 H new ATOM 719 N ILE A 51 -6.433 -4.027 -7.703 1.00 0.00 N ATOM 720 CA ILE A 51 -5.700 -2.819 -8.042 1.00 0.00 C ATOM 721 C ILE A 51 -5.319 -2.081 -6.757 1.00 0.00 C ATOM 722 O ILE A 51 -5.971 -2.245 -5.726 1.00 0.00 O ATOM 723 CB ILE A 51 -6.500 -1.965 -9.027 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.786 -2.738 -10.316 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.793 -0.636 -9.301 1.00 0.00 C ATOM 726 CD1 ILE A 51 -8.292 -2.882 -10.546 1.00 0.00 C ATOM 0 H ILE A 51 -7.446 -3.913 -7.657 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.771 -3.069 -8.554 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.462 -1.730 -8.572 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.333 -2.221 -11.162 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.327 -3.725 -10.262 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.383 -0.048 -10.004 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.684 -0.083 -8.368 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.808 -0.829 -9.726 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.468 -3.435 -11.469 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.738 -3.420 -9.710 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.744 -1.893 -10.624 1.00 0.00 H new ATOM 738 N ILE A 52 -4.266 -1.285 -6.859 1.00 0.00 N ATOM 739 CA ILE A 52 -3.791 -0.521 -5.718 1.00 0.00 C ATOM 740 C ILE A 52 -3.548 0.928 -6.144 1.00 0.00 C ATOM 741 O ILE A 52 -3.363 1.208 -7.328 1.00 0.00 O ATOM 742 CB ILE A 52 -2.564 -1.193 -5.097 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.945 -2.513 -4.422 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.847 -0.244 -4.135 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.168 -3.683 -5.030 1.00 0.00 C ATOM 0 H ILE A 52 -3.727 -1.152 -7.715 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.547 -0.500 -4.933 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.863 -1.430 -5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.740 -2.452 -3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.016 -2.686 -4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.979 -0.746 -3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.522 0.645 -4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.528 0.046 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.457 -4.609 -4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.394 -3.756 -6.094 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.099 -3.518 -4.897 1.00 0.00 H new ATOM 757 N GLU A 53 -3.556 1.811 -5.157 1.00 0.00 N ATOM 758 CA GLU A 53 -3.339 3.225 -5.415 1.00 0.00 C ATOM 759 C GLU A 53 -2.809 3.919 -4.159 1.00 0.00 C ATOM 760 O GLU A 53 -3.254 3.626 -3.049 1.00 0.00 O ATOM 761 CB GLU A 53 -4.622 3.894 -5.912 1.00 0.00 C ATOM 762 CG GLU A 53 -4.973 3.426 -7.325 1.00 0.00 C ATOM 763 CD GLU A 53 -5.911 4.420 -8.015 1.00 0.00 C ATOM 764 OE1 GLU A 53 -5.738 5.632 -7.762 1.00 0.00 O ATOM 765 OE2 GLU A 53 -6.778 3.945 -8.779 1.00 0.00 O ATOM 0 H GLU A 53 -3.709 1.575 -4.177 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.590 3.320 -6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.443 3.662 -5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.498 4.977 -5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.061 3.314 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.446 2.445 -7.280 1.00 0.00 H new ATOM 772 N TYR A 54 -1.868 4.825 -4.375 1.00 0.00 N ATOM 773 CA TYR A 54 -1.273 5.563 -3.273 1.00 0.00 C ATOM 774 C TYR A 54 -1.289 7.068 -3.549 1.00 0.00 C ATOM 775 O TYR A 54 -1.391 7.490 -4.700 1.00 0.00 O ATOM 776 CB TYR A 54 0.179 5.089 -3.184 1.00 0.00 C ATOM 777 CG TYR A 54 1.138 5.842 -4.107 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.275 5.454 -5.425 1.00 0.00 C ATOM 779 CD2 TYR A 54 1.866 6.910 -3.623 1.00 0.00 C ATOM 780 CE1 TYR A 54 2.178 6.164 -6.294 1.00 0.00 C ATOM 781 CE2 TYR A 54 2.769 7.619 -4.493 1.00 0.00 C ATOM 782 CZ TYR A 54 2.880 7.211 -5.785 1.00 0.00 C ATOM 783 OH TYR A 54 3.732 7.881 -6.606 1.00 0.00 O ATOM 0 H TYR A 54 -1.502 5.065 -5.296 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.827 5.389 -2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.523 5.196 -2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.219 4.027 -3.425 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.705 4.618 -5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.759 7.214 -2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.295 5.871 -7.327 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.345 8.456 -4.127 1.00 0.00 H new ATOM 0 HH TYR A 54 4.165 8.605 -6.108 1.00 0.00 H new ATOM 793 N GLU A 55 -1.187 7.835 -2.474 1.00 0.00 N ATOM 794 CA GLU A 55 -1.189 9.284 -2.586 1.00 0.00 C ATOM 795 C GLU A 55 -0.069 9.883 -1.734 1.00 0.00 C ATOM 796 O GLU A 55 0.382 9.266 -0.771 1.00 0.00 O ATOM 797 CB GLU A 55 -2.549 9.863 -2.190 1.00 0.00 C ATOM 798 CG GLU A 55 -3.010 9.306 -0.842 1.00 0.00 C ATOM 799 CD GLU A 55 -3.204 10.431 0.178 1.00 0.00 C ATOM 800 OE1 GLU A 55 -2.208 11.138 0.439 1.00 0.00 O ATOM 801 OE2 GLU A 55 -4.345 10.557 0.673 1.00 0.00 O ATOM 0 H GLU A 55 -1.102 7.481 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.008 9.549 -3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.484 10.950 -2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.286 9.626 -2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.945 8.761 -0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.275 8.594 -0.468 1.00 0.00 H new ATOM 808 N ASP A 56 0.349 11.080 -2.120 1.00 0.00 N ATOM 809 CA ASP A 56 1.408 11.770 -1.403 1.00 0.00 C ATOM 810 C ASP A 56 0.791 12.829 -0.486 1.00 0.00 C ATOM 811 O ASP A 56 0.616 13.978 -0.889 1.00 0.00 O ATOM 812 CB ASP A 56 2.357 12.479 -2.371 1.00 0.00 C ATOM 813 CG ASP A 56 1.936 12.431 -3.841 1.00 0.00 C ATOM 814 OD1 ASP A 56 0.814 12.903 -4.125 1.00 0.00 O ATOM 815 OD2 ASP A 56 2.745 11.924 -4.647 1.00 0.00 O ATOM 0 H ASP A 56 -0.027 11.589 -2.920 1.00 0.00 H new ATOM 0 HA ASP A 56 1.965 11.029 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.448 13.522 -2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.347 12.033 -2.278 1.00 0.00 H new ATOM 820 N ALA A 57 0.480 12.404 0.730 1.00 0.00 N ATOM 821 CA ALA A 57 -0.113 13.301 1.707 1.00 0.00 C ATOM 822 C ALA A 57 0.901 14.383 2.081 1.00 0.00 C ATOM 823 O ALA A 57 0.528 15.441 2.587 1.00 0.00 O ATOM 824 CB ALA A 57 -0.581 12.496 2.921 1.00 0.00 C ATOM 0 H ALA A 57 0.628 11.450 1.061 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.988 13.799 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.026 13.169 3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.322 11.761 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.271 11.984 3.368 1.00 0.00 H new ATOM 830 N MET A 58 2.164 14.082 1.818 1.00 0.00 N ATOM 831 CA MET A 58 3.236 15.016 2.121 1.00 0.00 C ATOM 832 C MET A 58 3.341 16.096 1.043 1.00 0.00 C ATOM 833 O MET A 58 3.820 17.198 1.309 1.00 0.00 O ATOM 834 CB MET A 58 4.562 14.258 2.217 1.00 0.00 C ATOM 835 CG MET A 58 5.682 15.175 2.711 1.00 0.00 C ATOM 836 SD MET A 58 6.342 14.557 4.250 1.00 0.00 S ATOM 837 CE MET A 58 7.736 13.625 3.637 1.00 0.00 C ATOM 0 H MET A 58 2.470 13.204 1.398 1.00 0.00 H new ATOM 0 HA MET A 58 3.015 15.499 3.073 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.453 13.412 2.896 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.824 13.851 1.240 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.473 15.232 1.963 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.301 16.187 2.849 1.00 0.00 H new ATOM 0 HE1 MET A 58 7.569 12.562 3.813 1.00 0.00 H new ATOM 0 HE2 MET A 58 7.850 13.802 2.567 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.641 13.941 4.155 1.00 0.00 H new ATOM 847 N HIS A 59 2.888 15.743 -0.151 1.00 0.00 N ATOM 848 CA HIS A 59 2.925 16.670 -1.270 1.00 0.00 C ATOM 849 C HIS A 59 1.500 16.965 -1.740 1.00 0.00 C ATOM 850 O HIS A 59 0.993 18.068 -1.542 1.00 0.00 O ATOM 851 CB HIS A 59 3.820 16.133 -2.389 1.00 0.00 C ATOM 852 CG HIS A 59 5.279 16.030 -2.014 1.00 0.00 C ATOM 853 ND1 HIS A 59 6.239 16.991 -1.899 1.00 0.00 N flip ATOM 854 CD2 HIS A 59 5.891 14.827 -1.708 1.00 0.00 C flip ATOM 855 CE1 HIS A 59 7.376 16.408 -1.541 1.00 0.00 C flip ATOM 856 NE2 HIS A 59 7.163 15.066 -1.423 1.00 0.00 N flip ATOM 0 H HIS A 59 2.493 14.828 -0.368 1.00 0.00 H new ATOM 0 HA HIS A 59 3.367 17.614 -0.951 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.461 15.147 -2.685 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.724 16.782 -3.260 1.00 0.00 H new ATOM 0 HD1 HIS A 59 6.106 17.989 -2.061 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.413 13.858 -1.702 1.00 0.00 H new ATOM 0 HE1 HIS A 59 8.315 16.913 -1.371 1.00 0.00 H new ATOM 864 N LYS A 60 0.893 15.959 -2.353 1.00 0.00 N ATOM 865 CA LYS A 60 -0.465 16.097 -2.853 1.00 0.00 C ATOM 866 C LYS A 60 -1.384 15.140 -2.091 1.00 0.00 C ATOM 867 O LYS A 60 -1.554 13.989 -2.489 1.00 0.00 O ATOM 868 CB LYS A 60 -0.499 15.905 -4.370 1.00 0.00 C ATOM 869 CG LYS A 60 0.139 17.096 -5.088 1.00 0.00 C ATOM 870 CD LYS A 60 1.632 16.858 -5.326 1.00 0.00 C ATOM 871 CE LYS A 60 1.904 16.508 -6.791 1.00 0.00 C ATOM 872 NZ LYS A 60 3.047 15.574 -6.896 1.00 0.00 N ATOM 0 H LYS A 60 1.316 15.045 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.836 17.106 -2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.030 14.990 -4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.530 15.786 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.363 17.262 -6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.001 17.999 -4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.195 17.750 -5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.982 16.050 -4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.016 16.057 -7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.116 17.416 -7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.219 15.346 -7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.896 16.018 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.831 14.701 -6.374 1.00 0.00 H new ATOM 886 N PRO A 61 -1.967 15.666 -0.981 1.00 0.00 N ATOM 887 CA PRO A 61 -2.865 14.871 -0.160 1.00 0.00 C ATOM 888 C PRO A 61 -4.226 14.704 -0.838 1.00 0.00 C ATOM 889 O PRO A 61 -5.015 15.646 -0.894 1.00 0.00 O ATOM 890 CB PRO A 61 -2.948 15.614 1.164 1.00 0.00 C ATOM 891 CG PRO A 61 -2.470 17.028 0.879 1.00 0.00 C ATOM 892 CD PRO A 61 -1.789 17.025 -0.480 1.00 0.00 C ATOM 0 HA PRO A 61 -2.506 13.853 -0.009 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.968 15.616 1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.325 15.136 1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.310 17.723 0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.777 17.360 1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.240 17.756 -1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.733 17.280 -0.394 1.00 0.00 H new ATOM 900 N GLY A 62 -4.459 13.500 -1.338 1.00 0.00 N ATOM 901 CA GLY A 62 -5.710 13.197 -2.011 1.00 0.00 C ATOM 902 C GLY A 62 -5.463 12.743 -3.451 1.00 0.00 C ATOM 903 O GLY A 62 -6.330 12.126 -4.068 1.00 0.00 O ATOM 0 H GLY A 62 -3.802 12.722 -1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.240 12.416 -1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.351 14.079 -2.009 1.00 0.00 H new ATOM 907 N LEU A 63 -4.277 13.066 -3.944 1.00 0.00 N ATOM 908 CA LEU A 63 -3.905 12.699 -5.300 1.00 0.00 C ATOM 909 C LEU A 63 -3.424 11.247 -5.316 1.00 0.00 C ATOM 910 O LEU A 63 -2.325 10.947 -4.853 1.00 0.00 O ATOM 911 CB LEU A 63 -2.885 13.691 -5.862 1.00 0.00 C ATOM 912 CG LEU A 63 -2.728 13.701 -7.385 1.00 0.00 C ATOM 913 CD1 LEU A 63 -4.079 13.906 -8.073 1.00 0.00 C ATOM 914 CD2 LEU A 63 -1.697 14.743 -7.823 1.00 0.00 C ATOM 0 H LEU A 63 -3.561 13.578 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.769 12.756 -5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.166 14.693 -5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.914 13.474 -5.418 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.352 12.726 -7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.940 13.909 -9.154 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.755 13.097 -7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.506 14.858 -7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.605 14.729 -8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.019 15.732 -7.499 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.731 14.511 -7.374 1.00 0.00 H new ATOM 926 N TRP A 64 -4.272 10.382 -5.855 1.00 0.00 N ATOM 927 CA TRP A 64 -3.947 8.969 -5.938 1.00 0.00 C ATOM 928 C TRP A 64 -3.425 8.685 -7.348 1.00 0.00 C ATOM 929 O TRP A 64 -3.891 9.282 -8.318 1.00 0.00 O ATOM 930 CB TRP A 64 -5.154 8.106 -5.563 1.00 0.00 C ATOM 931 CG TRP A 64 -5.807 8.494 -4.235 1.00 0.00 C ATOM 932 CD1 TRP A 64 -6.680 9.484 -4.003 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.603 7.854 -2.958 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.052 9.529 -2.675 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.376 8.507 -2.019 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.792 6.761 -2.607 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.415 8.140 -0.669 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.842 6.406 -1.253 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.615 7.053 -0.296 1.00 0.00 C ATOM 0 H TRP A 64 -5.183 10.633 -6.238 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.169 8.710 -5.220 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.898 8.176 -6.356 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.840 7.063 -5.511 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.046 10.161 -4.760 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.703 10.191 -2.252 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.179 6.236 -3.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -7.029 8.667 0.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.238 5.571 -0.930 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.599 6.719 0.731 1.00 0.00 H new ATOM 950 N HIS A 65 -2.464 7.776 -7.418 1.00 0.00 N ATOM 951 CA HIS A 65 -1.874 7.406 -8.693 1.00 0.00 C ATOM 952 C HIS A 65 -1.855 5.882 -8.828 1.00 0.00 C ATOM 953 O HIS A 65 -1.496 5.177 -7.887 1.00 0.00 O ATOM 954 CB HIS A 65 -0.487 8.032 -8.851 1.00 0.00 C ATOM 955 CG HIS A 65 -0.460 9.527 -8.639 1.00 0.00 C ATOM 956 ND1 HIS A 65 -0.655 10.434 -9.667 1.00 0.00 N ATOM 957 CD2 HIS A 65 -0.260 10.264 -7.509 1.00 0.00 C ATOM 958 CE1 HIS A 65 -0.573 11.657 -9.166 1.00 0.00 C ATOM 959 NE2 HIS A 65 -0.328 11.550 -7.829 1.00 0.00 N ATOM 0 H HIS A 65 -2.079 7.284 -6.612 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.482 7.800 -9.507 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.195 7.562 -8.142 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.111 7.810 -9.850 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.077 9.868 -6.521 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.681 12.578 -9.720 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -0.216 12.330 -7.181 1.00 0.00 H new ATOM 967 N HIS A 66 -2.247 5.420 -10.006 1.00 0.00 N ATOM 968 CA HIS A 66 -2.280 3.992 -10.276 1.00 0.00 C ATOM 969 C HIS A 66 -0.921 3.375 -9.941 1.00 0.00 C ATOM 970 O HIS A 66 0.042 3.542 -10.688 1.00 0.00 O ATOM 971 CB HIS A 66 -2.715 3.722 -11.718 1.00 0.00 C ATOM 972 CG HIS A 66 -3.496 2.442 -11.894 1.00 0.00 C ATOM 973 ND1 HIS A 66 -4.752 2.224 -12.379 1.00 0.00 N flip ATOM 974 CD2 HIS A 66 -2.988 1.201 -11.552 1.00 0.00 C flip ATOM 975 CE1 HIS A 66 -4.998 0.921 -12.337 1.00 0.00 C flip ATOM 976 NE2 HIS A 66 -3.906 0.285 -11.824 1.00 0.00 N flip ATOM 0 H HIS A 66 -2.544 6.008 -10.784 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.024 3.514 -9.638 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.323 4.557 -12.066 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.830 3.686 -12.353 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.010 1.011 -11.135 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.912 0.443 -12.656 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.812 -0.720 -11.676 1.00 0.00 H new ATOM 984 N GLN A 67 -0.887 2.674 -8.817 1.00 0.00 N ATOM 985 CA GLN A 67 0.339 2.031 -8.374 1.00 0.00 C ATOM 986 C GLN A 67 0.557 0.723 -9.136 1.00 0.00 C ATOM 987 O GLN A 67 1.429 0.642 -10.000 1.00 0.00 O ATOM 988 CB GLN A 67 0.315 1.788 -6.863 1.00 0.00 C ATOM 989 CG GLN A 67 1.530 0.970 -6.420 1.00 0.00 C ATOM 990 CD GLN A 67 2.449 1.798 -5.519 1.00 0.00 C ATOM 991 OE1 GLN A 67 2.062 2.809 -4.956 1.00 0.00 O ATOM 992 NE2 GLN A 67 3.683 1.314 -5.415 1.00 0.00 N ATOM 0 H GLN A 67 -1.688 2.537 -8.200 1.00 0.00 H new ATOM 0 HA GLN A 67 1.174 2.697 -8.589 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.304 2.743 -6.338 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.600 1.263 -6.590 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.198 0.079 -5.887 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.083 0.630 -7.296 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.940 0.462 -5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.372 1.794 -4.836 1.00 0.00 H new ATOM 1001 N THR A 68 -0.250 -0.269 -8.789 1.00 0.00 N ATOM 1002 CA THR A 68 -0.156 -1.570 -9.431 1.00 0.00 C ATOM 1003 C THR A 68 -1.319 -2.463 -8.997 1.00 0.00 C ATOM 1004 O THR A 68 -1.999 -2.171 -8.015 1.00 0.00 O ATOM 1005 CB THR A 68 1.218 -2.159 -9.104 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.277 -3.353 -9.879 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.316 -2.649 -7.658 1.00 0.00 C ATOM 0 H THR A 68 -0.972 -0.198 -8.072 1.00 0.00 H new ATOM 0 HA THR A 68 -0.240 -1.485 -10.514 1.00 0.00 H new ATOM 0 HB THR A 68 1.987 -1.408 -9.286 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.137 -3.798 -9.729 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.311 -3.057 -7.479 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.138 -1.815 -6.979 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.569 -3.424 -7.485 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.513 -3.535 -9.752 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.582 -4.474 -9.458 1.00 0.00 C ATOM 1017 C GLU A 69 -2.027 -5.896 -9.353 1.00 0.00 C ATOM 1018 O GLU A 69 -0.854 -6.130 -9.637 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.688 -4.393 -10.513 1.00 0.00 C ATOM 1020 CG GLU A 69 -3.114 -4.558 -11.922 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.510 -5.951 -12.108 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.250 -6.928 -11.862 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.322 -6.008 -12.494 1.00 0.00 O ATOM 0 H GLU A 69 -0.948 -3.774 -10.567 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.021 -4.205 -8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.431 -5.168 -10.326 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.201 -3.434 -10.435 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.900 -4.397 -12.660 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.351 -3.800 -12.099 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.897 -6.808 -8.945 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.509 -8.200 -8.799 1.00 0.00 C ATOM 1032 C VAL A 70 -3.710 -9.096 -9.110 1.00 0.00 C ATOM 1033 O VAL A 70 -4.771 -8.606 -9.495 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.931 -8.439 -7.403 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.402 -8.488 -7.443 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.419 -7.375 -6.418 1.00 0.00 C ATOM 0 H VAL A 70 -3.870 -6.610 -8.711 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.722 -8.453 -9.510 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.288 -9.408 -7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.017 -8.659 -6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.081 -9.299 -8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.017 -7.541 -7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.993 -7.568 -5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.105 -6.389 -6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.507 -7.408 -6.356 1.00 0.00 H new ATOM 1046 N SER A 71 -3.503 -10.392 -8.932 1.00 0.00 N ATOM 1047 CA SER A 71 -4.555 -11.360 -9.189 1.00 0.00 C ATOM 1048 C SER A 71 -5.597 -11.310 -8.069 1.00 0.00 C ATOM 1049 O SER A 71 -5.368 -10.692 -7.030 1.00 0.00 O ATOM 1050 CB SER A 71 -3.984 -12.774 -9.319 1.00 0.00 C ATOM 1051 OG SER A 71 -4.296 -13.362 -10.578 1.00 0.00 O ATOM 0 H SER A 71 -2.622 -10.794 -8.613 1.00 0.00 H new ATOM 0 HA SER A 71 -5.033 -11.102 -10.134 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.902 -12.741 -9.193 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.379 -13.400 -8.519 1.00 0.00 H new ATOM 0 HG SER A 71 -3.913 -14.263 -10.622 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.719 -11.968 -8.319 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.797 -12.006 -7.345 1.00 0.00 C ATOM 1059 C GLY A 72 -7.637 -13.195 -6.395 1.00 0.00 C ATOM 1060 O GLY A 72 -8.617 -13.684 -5.836 1.00 0.00 O ATOM 0 H GLY A 72 -6.905 -12.479 -9.182 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.808 -11.078 -6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.755 -12.074 -7.860 1.00 0.00 H new ATOM 1064 N THR A 73 -6.393 -13.626 -6.243 1.00 0.00 N ATOM 1065 CA THR A 73 -6.091 -14.748 -5.371 1.00 0.00 C ATOM 1066 C THR A 73 -5.143 -14.314 -4.251 1.00 0.00 C ATOM 1067 O THR A 73 -5.279 -14.755 -3.111 1.00 0.00 O ATOM 1068 CB THR A 73 -5.533 -15.881 -6.234 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.643 -16.755 -6.420 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.507 -16.736 -5.487 1.00 0.00 C ATOM 0 H THR A 73 -5.583 -13.218 -6.709 1.00 0.00 H new ATOM 0 HA THR A 73 -6.988 -15.112 -4.871 1.00 0.00 H new ATOM 0 HB THR A 73 -5.073 -15.462 -7.129 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.370 -17.518 -6.971 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.143 -17.525 -6.145 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.671 -16.110 -5.174 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.975 -17.182 -4.610 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.203 -13.454 -4.616 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.233 -12.955 -3.656 1.00 0.00 C ATOM 1080 C GLN A 74 -3.821 -11.784 -2.867 1.00 0.00 C ATOM 1081 O GLN A 74 -4.836 -11.212 -3.261 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.932 -12.549 -4.352 1.00 0.00 C ATOM 1083 CG GLN A 74 -2.040 -11.139 -4.937 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.664 -10.606 -5.341 1.00 0.00 C ATOM 1085 OE1 GLN A 74 -0.381 -9.407 -4.841 1.00 0.00 O flip ATOM 1086 NE2 GLN A 74 0.091 -11.242 -6.058 1.00 0.00 N flip ATOM 0 H GLN A 74 -4.093 -13.090 -5.563 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.998 -13.757 -2.956 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.107 -12.589 -3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.703 -13.260 -5.146 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.699 -11.151 -5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.492 -10.471 -4.204 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.189 -12.158 -6.408 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.002 -10.858 -6.307 1.00 0.00 H new ATOM 1095 N THR A 75 -3.158 -11.461 -1.766 1.00 0.00 N ATOM 1096 CA THR A 75 -3.602 -10.368 -0.918 1.00 0.00 C ATOM 1097 C THR A 75 -2.400 -9.595 -0.371 1.00 0.00 C ATOM 1098 O THR A 75 -2.534 -8.820 0.574 1.00 0.00 O ATOM 1099 CB THR A 75 -4.497 -10.953 0.177 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.817 -12.136 0.586 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.833 -11.461 -0.369 1.00 0.00 C ATOM 0 H THR A 75 -2.316 -11.937 -1.442 1.00 0.00 H new ATOM 0 HA THR A 75 -4.186 -9.642 -1.483 1.00 0.00 H new ATOM 0 HB THR A 75 -4.680 -10.196 0.939 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.328 -12.578 1.296 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.430 -11.866 0.448 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.371 -10.637 -0.838 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.651 -12.242 -1.107 1.00 0.00 H new ATOM 1109 N THR A 76 -1.253 -9.833 -0.989 1.00 0.00 N ATOM 1110 CA THR A 76 -0.028 -9.169 -0.577 1.00 0.00 C ATOM 1111 C THR A 76 0.796 -8.761 -1.800 1.00 0.00 C ATOM 1112 O THR A 76 1.076 -9.587 -2.667 1.00 0.00 O ATOM 1113 CB THR A 76 0.720 -10.104 0.375 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.647 -11.378 -0.261 1.00 0.00 O ATOM 1115 CG2 THR A 76 -0.020 -10.306 1.699 1.00 0.00 C ATOM 0 H THR A 76 -1.146 -10.477 -1.773 1.00 0.00 H new ATOM 0 HA THR A 76 -0.241 -8.242 -0.045 1.00 0.00 H new ATOM 0 HB THR A 76 1.714 -9.702 0.572 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.848 -11.279 -1.215 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.554 -10.978 2.338 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.141 -9.345 2.199 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.001 -10.740 1.505 1.00 0.00 H new ATOM 1123 N ALA A 77 1.160 -7.488 -1.830 1.00 0.00 N ATOM 1124 CA ALA A 77 1.946 -6.961 -2.933 1.00 0.00 C ATOM 1125 C ALA A 77 3.006 -6.003 -2.385 1.00 0.00 C ATOM 1126 O ALA A 77 2.792 -5.353 -1.363 1.00 0.00 O ATOM 1127 CB ALA A 77 1.018 -6.286 -3.945 1.00 0.00 C ATOM 0 H ALA A 77 0.926 -6.806 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 77 2.465 -7.766 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.608 -5.891 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.302 -7.015 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.482 -5.471 -3.460 1.00 0.00 H new ATOM 1133 N GLN A 78 4.127 -5.946 -3.090 1.00 0.00 N ATOM 1134 CA GLN A 78 5.221 -5.079 -2.687 1.00 0.00 C ATOM 1135 C GLN A 78 5.046 -3.686 -3.295 1.00 0.00 C ATOM 1136 O GLN A 78 4.797 -3.554 -4.492 1.00 0.00 O ATOM 1137 CB GLN A 78 6.572 -5.682 -3.079 1.00 0.00 C ATOM 1138 CG GLN A 78 7.115 -6.580 -1.966 1.00 0.00 C ATOM 1139 CD GLN A 78 7.956 -7.721 -2.542 1.00 0.00 C ATOM 1140 OE1 GLN A 78 9.176 -7.683 -2.553 1.00 0.00 O ATOM 1141 NE2 GLN A 78 7.239 -8.734 -3.020 1.00 0.00 N ATOM 0 H GLN A 78 4.301 -6.486 -3.938 1.00 0.00 H new ATOM 0 HA GLN A 78 5.203 -4.985 -1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.464 -6.260 -3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.284 -4.883 -3.287 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.720 -5.988 -1.279 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.287 -6.990 -1.388 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.220 -8.702 -2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.708 -9.543 -3.427 1.00 0.00 H new ATOM 1150 N LEU A 79 5.183 -2.682 -2.442 1.00 0.00 N ATOM 1151 CA LEU A 79 5.042 -1.303 -2.880 1.00 0.00 C ATOM 1152 C LEU A 79 6.419 -0.637 -2.900 1.00 0.00 C ATOM 1153 O LEU A 79 7.233 -0.857 -2.005 1.00 0.00 O ATOM 1154 CB LEU A 79 4.016 -0.568 -2.016 1.00 0.00 C ATOM 1155 CG LEU A 79 2.596 -1.138 -2.030 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.571 -0.066 -1.653 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.278 -1.785 -3.380 1.00 0.00 C ATOM 0 H LEU A 79 5.390 -2.795 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 79 4.653 -1.264 -3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.374 -0.563 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.972 0.471 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 79 2.535 -1.922 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.570 -0.497 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.787 0.308 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.625 0.756 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.263 -2.182 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.363 -1.039 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.982 -2.596 -3.570 1.00 0.00 H new ATOM 1169 N ASN A 80 6.638 0.165 -3.932 1.00 0.00 N ATOM 1170 CA ASN A 80 7.902 0.866 -4.081 1.00 0.00 C ATOM 1171 C ASN A 80 7.701 2.347 -3.754 1.00 0.00 C ATOM 1172 O ASN A 80 7.014 3.059 -4.484 1.00 0.00 O ATOM 1173 CB ASN A 80 8.422 0.765 -5.516 1.00 0.00 C ATOM 1174 CG ASN A 80 7.316 1.083 -6.524 1.00 0.00 C ATOM 1175 OD1 ASN A 80 6.267 0.459 -6.552 1.00 0.00 O ATOM 1176 ND2 ASN A 80 7.606 2.086 -7.348 1.00 0.00 N ATOM 0 H ASN A 80 5.961 0.345 -4.673 1.00 0.00 H new ATOM 0 HA ASN A 80 8.623 0.409 -3.403 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.254 1.455 -5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.807 -0.239 -5.697 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.932 2.375 -8.057 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.503 2.566 -7.271 1.00 0.00 H new ATOM 1183 N LEU A 81 8.314 2.766 -2.657 1.00 0.00 N ATOM 1184 CA LEU A 81 8.211 4.149 -2.224 1.00 0.00 C ATOM 1185 C LEU A 81 9.614 4.707 -1.974 1.00 0.00 C ATOM 1186 O LEU A 81 10.571 3.947 -1.829 1.00 0.00 O ATOM 1187 CB LEU A 81 7.279 4.265 -1.017 1.00 0.00 C ATOM 1188 CG LEU A 81 6.457 3.019 -0.682 1.00 0.00 C ATOM 1189 CD1 LEU A 81 5.650 2.552 -1.896 1.00 0.00 C ATOM 1190 CD2 LEU A 81 7.348 1.908 -0.124 1.00 0.00 C ATOM 0 H LEU A 81 8.884 2.172 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 81 7.759 4.760 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.878 4.526 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.592 5.093 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 81 5.742 3.281 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.075 1.665 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.971 3.345 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.329 2.313 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.739 1.034 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.102 1.640 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.839 2.257 0.784 1.00 0.00 H new ATOM 1202 N SER A 82 9.692 6.029 -1.931 1.00 0.00 N ATOM 1203 CA SER A 82 10.962 6.696 -1.701 1.00 0.00 C ATOM 1204 C SER A 82 11.005 7.264 -0.281 1.00 0.00 C ATOM 1205 O SER A 82 9.964 7.480 0.337 1.00 0.00 O ATOM 1206 CB SER A 82 11.192 7.810 -2.725 1.00 0.00 C ATOM 1207 OG SER A 82 12.148 7.437 -3.713 1.00 0.00 O ATOM 0 H SER A 82 8.896 6.656 -2.052 1.00 0.00 H new ATOM 0 HA SER A 82 11.760 5.962 -1.817 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.248 8.058 -3.210 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.533 8.709 -2.212 1.00 0.00 H new ATOM 0 HG SER A 82 12.266 8.173 -4.349 1.00 0.00 H new ATOM 1213 N PRO A 83 12.253 7.494 0.208 1.00 0.00 N ATOM 1214 CA PRO A 83 12.445 8.032 1.544 1.00 0.00 C ATOM 1215 C PRO A 83 12.115 9.526 1.587 1.00 0.00 C ATOM 1216 O PRO A 83 12.080 10.187 0.550 1.00 0.00 O ATOM 1217 CB PRO A 83 13.897 7.736 1.883 1.00 0.00 C ATOM 1218 CG PRO A 83 14.587 7.462 0.556 1.00 0.00 C ATOM 1219 CD PRO A 83 13.509 7.250 -0.495 1.00 0.00 C ATOM 0 HA PRO A 83 11.778 7.580 2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.358 8.580 2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.975 6.877 2.549 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.230 8.298 0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.225 6.581 0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.633 7.935 -1.333 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.545 6.239 -0.901 1.00 0.00 H new ATOM 1227 N TYR A 84 11.881 10.013 2.796 1.00 0.00 N ATOM 1228 CA TYR A 84 11.555 11.416 2.987 1.00 0.00 C ATOM 1229 C TYR A 84 10.311 11.804 2.186 1.00 0.00 C ATOM 1230 O TYR A 84 10.297 12.834 1.513 1.00 0.00 O ATOM 1231 CB TYR A 84 12.754 12.204 2.458 1.00 0.00 C ATOM 1232 CG TYR A 84 14.110 11.624 2.866 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.559 11.767 4.163 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.883 10.957 1.938 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.835 11.221 4.548 1.00 0.00 C ATOM 1236 CE2 TYR A 84 16.158 10.410 2.322 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.571 10.569 3.608 1.00 0.00 C ATOM 1238 OH TYR A 84 17.776 10.053 3.972 1.00 0.00 O ATOM 0 H TYR A 84 11.911 9.461 3.653 1.00 0.00 H new ATOM 0 HA TYR A 84 11.350 11.622 4.038 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.699 12.242 1.370 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.687 13.231 2.816 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.953 12.288 4.890 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.531 10.845 0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 84 16.199 11.327 5.559 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.772 9.885 1.605 1.00 0.00 H new ATOM 0 HH TYR A 84 18.191 9.614 3.200 1.00 0.00 H new ATOM 1248 N VAL A 85 9.295 10.958 2.284 1.00 0.00 N ATOM 1249 CA VAL A 85 8.049 11.200 1.576 1.00 0.00 C ATOM 1250 C VAL A 85 6.926 10.405 2.245 1.00 0.00 C ATOM 1251 O VAL A 85 7.082 9.217 2.524 1.00 0.00 O ATOM 1252 CB VAL A 85 8.217 10.866 0.093 1.00 0.00 C ATOM 1253 CG1 VAL A 85 6.865 10.861 -0.624 1.00 0.00 C ATOM 1254 CG2 VAL A 85 9.191 11.834 -0.581 1.00 0.00 C ATOM 0 H VAL A 85 9.310 10.105 2.843 1.00 0.00 H new ATOM 0 HA VAL A 85 7.777 12.254 1.629 1.00 0.00 H new ATOM 0 HB VAL A 85 8.639 9.863 0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.012 10.621 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.215 10.114 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.404 11.845 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.292 11.574 -1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.811 12.852 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.165 11.767 -0.096 1.00 0.00 H new ATOM 1264 N ASN A 86 5.818 11.092 2.482 1.00 0.00 N ATOM 1265 CA ASN A 86 4.669 10.465 3.112 1.00 0.00 C ATOM 1266 C ASN A 86 3.624 10.135 2.045 1.00 0.00 C ATOM 1267 O ASN A 86 3.551 10.804 1.015 1.00 0.00 O ATOM 1268 CB ASN A 86 4.022 11.401 4.135 1.00 0.00 C ATOM 1269 CG ASN A 86 3.343 10.608 5.253 1.00 0.00 C ATOM 1270 OD1 ASN A 86 2.745 9.567 5.036 1.00 0.00 O ATOM 1271 ND2 ASN A 86 3.469 11.156 6.458 1.00 0.00 N ATOM 0 H ASN A 86 5.692 12.077 2.249 1.00 0.00 H new ATOM 0 HA ASN A 86 5.013 9.562 3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 86 4.779 12.060 4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.289 12.037 3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.051 10.703 7.271 1.00 0.00 H new ATOM 0 HD22 ASN A 86 3.983 12.030 6.570 1.00 0.00 H new ATOM 1278 N TYR A 87 2.840 9.105 2.327 1.00 0.00 N ATOM 1279 CA TYR A 87 1.802 8.679 1.404 1.00 0.00 C ATOM 1280 C TYR A 87 0.982 7.530 1.994 1.00 0.00 C ATOM 1281 O TYR A 87 1.384 6.918 2.983 1.00 0.00 O ATOM 1282 CB TYR A 87 2.529 8.181 0.153 1.00 0.00 C ATOM 1283 CG TYR A 87 3.936 7.644 0.423 1.00 0.00 C ATOM 1284 CD1 TYR A 87 4.108 6.345 0.856 1.00 0.00 C ATOM 1285 CD2 TYR A 87 5.033 8.460 0.234 1.00 0.00 C ATOM 1286 CE1 TYR A 87 5.433 5.840 1.110 1.00 0.00 C ATOM 1287 CE2 TYR A 87 6.358 7.955 0.488 1.00 0.00 C ATOM 1288 CZ TYR A 87 6.492 6.670 0.913 1.00 0.00 C ATOM 1289 OH TYR A 87 7.743 6.193 1.153 1.00 0.00 O ATOM 0 H TYR A 87 2.903 8.553 3.182 1.00 0.00 H new ATOM 0 HA TYR A 87 1.117 9.500 1.191 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.934 7.395 -0.312 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.595 8.998 -0.566 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.249 5.707 1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.898 9.477 -0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.582 4.825 1.449 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.225 8.582 0.344 1.00 0.00 H new ATOM 0 HH TYR A 87 8.389 6.674 0.595 1.00 0.00 H new ATOM 1299 N SER A 88 -0.154 7.271 1.363 1.00 0.00 N ATOM 1300 CA SER A 88 -1.035 6.207 1.813 1.00 0.00 C ATOM 1301 C SER A 88 -1.097 5.099 0.759 1.00 0.00 C ATOM 1302 O SER A 88 -0.432 5.180 -0.272 1.00 0.00 O ATOM 1303 CB SER A 88 -2.438 6.740 2.106 1.00 0.00 C ATOM 1304 OG SER A 88 -3.302 6.617 0.980 1.00 0.00 O ATOM 0 H SER A 88 -0.485 7.780 0.543 1.00 0.00 H new ATOM 0 HA SER A 88 -0.631 5.797 2.739 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.863 6.197 2.950 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.374 7.787 2.401 1.00 0.00 H new ATOM 0 HG SER A 88 -4.015 7.286 1.040 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.903 4.089 1.055 1.00 0.00 N ATOM 1311 CA PHE A 89 -2.061 2.967 0.147 1.00 0.00 C ATOM 1312 C PHE A 89 -3.468 2.375 0.247 1.00 0.00 C ATOM 1313 O PHE A 89 -3.954 2.102 1.343 1.00 0.00 O ATOM 1314 CB PHE A 89 -1.042 1.905 0.566 1.00 0.00 C ATOM 1315 CG PHE A 89 0.399 2.414 0.626 1.00 0.00 C ATOM 1316 CD1 PHE A 89 0.940 3.054 -0.446 1.00 0.00 C ATOM 1317 CD2 PHE A 89 1.140 2.228 1.752 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.277 3.527 -0.390 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.477 2.701 1.807 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.018 3.340 0.735 1.00 0.00 C ATOM 0 H PHE A 89 -2.453 4.025 1.911 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.906 3.295 -0.881 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.320 1.516 1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.093 1.071 -0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.352 3.202 -1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.711 1.721 2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.706 4.035 -1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.065 2.553 2.701 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.036 3.699 0.777 1.00 0.00 H new ATOM 1330 N ARG A 90 -4.083 2.193 -0.913 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.424 1.638 -0.970 1.00 0.00 C ATOM 1332 C ARG A 90 -5.463 0.441 -1.922 1.00 0.00 C ATOM 1333 O ARG A 90 -4.732 0.405 -2.910 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.435 2.687 -1.439 1.00 0.00 C ATOM 1335 CG ARG A 90 -6.356 2.885 -2.954 1.00 0.00 C ATOM 1336 CD ARG A 90 -6.680 4.331 -3.335 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.531 4.357 -4.546 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.342 5.372 -4.872 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.418 6.451 -4.081 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -9.078 5.309 -5.990 1.00 0.00 N ATOM 0 H ARG A 90 -3.677 2.420 -1.821 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.692 1.316 0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.442 2.376 -1.161 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.243 3.634 -0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.357 2.627 -3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.053 2.209 -3.450 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.192 4.827 -2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.758 4.883 -3.517 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.498 3.552 -5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.858 6.500 -3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.036 7.223 -4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.021 4.488 -6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.696 6.082 -6.238 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.325 -0.510 -1.591 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.469 -1.706 -2.404 1.00 0.00 C ATOM 1356 C VAL A 91 -7.889 -1.763 -2.971 1.00 0.00 C ATOM 1357 O VAL A 91 -8.860 -1.574 -2.241 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.102 -2.944 -1.584 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.167 -4.209 -2.442 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.722 -2.787 -0.942 1.00 0.00 C ATOM 0 H VAL A 91 -6.931 -0.476 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.782 -1.678 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.834 -3.045 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.902 -5.074 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.178 -4.334 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.468 -4.121 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.485 -3.681 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.972 -2.649 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.724 -1.919 -0.282 1.00 0.00 H new ATOM 1370 N MET A 92 -7.963 -2.025 -4.268 1.00 0.00 N ATOM 1371 CA MET A 92 -9.248 -2.110 -4.941 1.00 0.00 C ATOM 1372 C MET A 92 -9.500 -3.526 -5.466 1.00 0.00 C ATOM 1373 O MET A 92 -8.557 -4.261 -5.756 1.00 0.00 O ATOM 1374 CB MET A 92 -9.280 -1.120 -6.107 1.00 0.00 C ATOM 1375 CG MET A 92 -9.406 0.318 -5.602 1.00 0.00 C ATOM 1376 SD MET A 92 -8.221 1.363 -6.433 1.00 0.00 S ATOM 1377 CE MET A 92 -6.709 0.765 -5.695 1.00 0.00 C ATOM 0 H MET A 92 -7.155 -2.181 -4.870 1.00 0.00 H new ATOM 0 HA MET A 92 -10.030 -1.865 -4.223 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.372 -1.222 -6.701 1.00 0.00 H new ATOM 0 HB3 MET A 92 -10.118 -1.353 -6.764 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.416 0.687 -5.779 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.239 0.350 -4.525 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.123 1.609 -5.331 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.947 0.103 -4.863 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.132 0.217 -6.440 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.776 -3.865 -5.571 1.00 0.00 N ATOM 1388 CA ALA A 93 -11.164 -5.179 -6.055 1.00 0.00 C ATOM 1389 C ALA A 93 -12.004 -5.022 -7.324 1.00 0.00 C ATOM 1390 O ALA A 93 -12.842 -4.126 -7.412 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.909 -5.931 -4.951 1.00 0.00 C ATOM 0 H ALA A 93 -11.555 -3.252 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.284 -5.768 -6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.200 -6.917 -5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.259 -6.042 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.800 -5.371 -4.667 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.752 -5.909 -8.276 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.475 -5.881 -9.536 1.00 0.00 C ATOM 1399 C VAL A 94 -12.816 -7.312 -9.955 1.00 0.00 C ATOM 1400 O VAL A 94 -11.947 -8.182 -9.971 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.661 -5.127 -10.589 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.568 -4.576 -11.692 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.836 -4.009 -9.949 1.00 0.00 C ATOM 0 H VAL A 94 -11.057 -6.652 -8.200 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.416 -5.342 -9.425 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.969 -5.834 -11.046 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.964 -4.044 -12.428 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.091 -5.400 -12.178 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.296 -3.891 -11.256 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.267 -3.489 -10.720 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.502 -3.304 -9.452 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.150 -4.436 -9.218 1.00 0.00 H new ATOM 1413 N ASN A 95 -14.084 -7.511 -10.286 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.550 -8.822 -10.704 1.00 0.00 C ATOM 1415 C ASN A 95 -15.397 -8.677 -11.970 1.00 0.00 C ATOM 1416 O ASN A 95 -15.470 -7.596 -12.552 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.421 -9.468 -9.624 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.595 -8.560 -9.252 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.994 -7.680 -9.997 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.125 -8.823 -8.061 1.00 0.00 N ATOM 0 H ASN A 95 -14.802 -6.787 -10.273 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.676 -9.448 -10.885 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.797 -10.427 -9.980 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.818 -9.671 -8.739 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -17.914 -8.273 -7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -16.742 -9.575 -7.487 1.00 0.00 H new ATOM 1427 N SER A 96 -16.016 -9.782 -12.360 1.00 0.00 N ATOM 1428 CA SER A 96 -16.855 -9.791 -13.546 1.00 0.00 C ATOM 1429 C SER A 96 -17.632 -8.477 -13.647 1.00 0.00 C ATOM 1430 O SER A 96 -17.640 -7.836 -14.697 1.00 0.00 O ATOM 1431 CB SER A 96 -17.819 -10.979 -13.529 1.00 0.00 C ATOM 1432 OG SER A 96 -17.413 -12.009 -14.425 1.00 0.00 O ATOM 0 H SER A 96 -15.953 -10.677 -11.875 1.00 0.00 H new ATOM 0 HA SER A 96 -16.212 -9.893 -14.420 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.880 -11.382 -12.518 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.819 -10.638 -13.798 1.00 0.00 H new ATOM 0 HG SER A 96 -18.053 -12.750 -14.383 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.267 -8.115 -12.542 1.00 0.00 N ATOM 1439 CA ILE A 97 -19.045 -6.890 -12.494 1.00 0.00 C ATOM 1440 C ILE A 97 -18.162 -5.713 -12.914 1.00 0.00 C ATOM 1441 O ILE A 97 -18.039 -5.418 -14.102 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.686 -6.716 -11.115 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.587 -7.905 -10.776 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.435 -5.385 -11.022 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -22.016 -7.668 -11.267 1.00 0.00 C ATOM 0 H ILE A 97 -18.258 -8.649 -11.673 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.873 -6.937 -13.202 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.891 -6.691 -10.370 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -20.187 -8.810 -11.233 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.591 -8.067 -9.698 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.881 -5.287 -10.032 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.739 -4.563 -11.190 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.220 -5.356 -11.778 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.635 -8.528 -11.013 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.421 -6.776 -10.790 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -22.011 -7.531 -12.348 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.571 -5.072 -11.916 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.703 -3.934 -12.167 1.00 0.00 C ATOM 1459 C GLY A 98 -15.705 -3.742 -11.023 1.00 0.00 C ATOM 1460 O GLY A 98 -15.402 -4.686 -10.295 1.00 0.00 O ATOM 0 H GLY A 98 -17.676 -5.319 -10.932 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.164 -4.082 -13.103 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.304 -3.033 -12.285 1.00 0.00 H new ATOM 1464 N LYS A 99 -15.223 -2.514 -10.901 1.00 0.00 N ATOM 1465 CA LYS A 99 -14.266 -2.187 -9.858 1.00 0.00 C ATOM 1466 C LYS A 99 -14.997 -1.511 -8.696 1.00 0.00 C ATOM 1467 O LYS A 99 -15.816 -0.618 -8.908 1.00 0.00 O ATOM 1468 CB LYS A 99 -13.116 -1.355 -10.428 1.00 0.00 C ATOM 1469 CG LYS A 99 -12.111 -0.986 -9.335 1.00 0.00 C ATOM 1470 CD LYS A 99 -10.723 -0.734 -9.928 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.478 0.762 -10.132 1.00 0.00 C ATOM 1472 NZ LYS A 99 -10.420 1.460 -8.828 1.00 0.00 N ATOM 0 H LYS A 99 -15.477 -1.734 -11.507 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.808 -3.094 -9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.612 -1.916 -11.216 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.511 -0.448 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.452 -0.095 -8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.056 -1.789 -8.600 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.961 -1.144 -9.266 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.631 -1.255 -10.881 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.544 0.913 -10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.274 1.187 -10.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.055 2.424 -8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.374 1.506 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.790 0.941 -8.184 1.00 0.00 H new ATOM 1486 N SER A 100 -14.673 -1.962 -7.493 1.00 0.00 N ATOM 1487 CA SER A 100 -15.288 -1.412 -6.297 1.00 0.00 C ATOM 1488 C SER A 100 -14.532 -0.160 -5.848 1.00 0.00 C ATOM 1489 O SER A 100 -13.601 0.281 -6.520 1.00 0.00 O ATOM 1490 CB SER A 100 -15.321 -2.445 -5.169 1.00 0.00 C ATOM 1491 OG SER A 100 -14.024 -2.690 -4.632 1.00 0.00 O ATOM 0 H SER A 100 -13.993 -2.702 -7.321 1.00 0.00 H new ATOM 0 HA SER A 100 -16.317 -1.142 -6.535 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.982 -2.095 -4.376 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.740 -3.378 -5.544 1.00 0.00 H new ATOM 0 HG SER A 100 -14.029 -3.536 -4.138 1.00 0.00 H new ATOM 1497 N LEU A 101 -14.961 0.377 -4.715 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.335 1.569 -4.169 1.00 0.00 C ATOM 1499 C LEU A 101 -12.992 1.193 -3.541 1.00 0.00 C ATOM 1500 O LEU A 101 -12.751 0.027 -3.235 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.288 2.280 -3.204 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.410 3.095 -3.849 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.397 3.600 -2.795 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -15.842 4.237 -4.695 1.00 0.00 C ATOM 0 H LEU A 101 -15.734 0.009 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.126 2.287 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.738 1.532 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.702 2.945 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 101 -16.964 2.440 -4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.185 4.176 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -17.838 2.751 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -16.873 4.233 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.661 4.801 -5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -15.249 4.898 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.211 3.827 -5.483 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.131 2.231 -3.362 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.818 2.021 -2.776 1.00 0.00 C ATOM 1518 C PRO A 102 -10.920 1.801 -1.266 1.00 0.00 C ATOM 1519 O PRO A 102 -11.747 2.421 -0.599 1.00 0.00 O ATOM 1520 CB PRO A 102 -10.020 3.261 -3.143 1.00 0.00 C ATOM 1521 CG PRO A 102 -11.045 4.320 -3.518 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.382 3.625 -3.713 1.00 0.00 C ATOM 0 HA PRO A 102 -10.328 1.123 -3.153 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.405 3.592 -2.306 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.345 3.059 -3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.118 5.075 -2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.746 4.835 -4.431 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.151 4.061 -3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.730 3.718 -4.742 1.00 0.00 H new ATOM 1530 N SER A 103 -10.068 0.916 -0.769 1.00 0.00 N ATOM 1531 CA SER A 103 -10.052 0.607 0.651 1.00 0.00 C ATOM 1532 C SER A 103 -9.945 1.897 1.466 1.00 0.00 C ATOM 1533 O SER A 103 -9.437 2.905 0.976 1.00 0.00 O ATOM 1534 CB SER A 103 -8.899 -0.337 0.996 1.00 0.00 C ATOM 1535 OG SER A 103 -7.651 0.348 1.066 1.00 0.00 O ATOM 0 H SER A 103 -9.384 0.403 -1.325 1.00 0.00 H new ATOM 0 HA SER A 103 -10.985 0.103 0.902 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.101 -0.822 1.951 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.839 -1.125 0.245 1.00 0.00 H new ATOM 0 HG SER A 103 -7.602 0.854 1.904 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.432 1.824 2.696 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.397 2.974 3.584 1.00 0.00 C ATOM 1543 C GLU A 104 -9.120 3.786 3.352 1.00 0.00 C ATOM 1544 O GLU A 104 -9.164 4.860 2.754 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.512 2.541 5.047 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.831 1.807 5.299 1.00 0.00 C ATOM 1547 CD GLU A 104 -12.046 1.564 6.794 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -12.616 2.470 7.440 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -11.636 0.478 7.257 1.00 0.00 O ATOM 0 H GLU A 104 -10.853 0.987 3.099 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.254 3.608 3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.675 1.892 5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.448 3.415 5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.659 2.392 4.899 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.828 0.855 4.769 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.014 3.240 3.836 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.728 3.900 3.689 1.00 0.00 C ATOM 1558 C ALA A 105 -5.744 3.324 4.709 1.00 0.00 C ATOM 1559 O ALA A 105 -5.733 3.737 5.867 1.00 0.00 O ATOM 1560 CB ALA A 105 -6.909 5.412 3.843 1.00 0.00 C ATOM 0 H ALA A 105 -7.982 2.348 4.330 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.316 3.720 2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.944 5.907 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.593 5.776 3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.318 5.631 4.829 1.00 0.00 H new ATOM 1566 N SER A 106 -4.942 2.379 4.241 1.00 0.00 N ATOM 1567 CA SER A 106 -3.957 1.742 5.098 1.00 0.00 C ATOM 1568 C SER A 106 -3.264 2.791 5.969 1.00 0.00 C ATOM 1569 O SER A 106 -3.238 3.971 5.623 1.00 0.00 O ATOM 1570 CB SER A 106 -2.924 0.972 4.272 1.00 0.00 C ATOM 1571 OG SER A 106 -1.982 1.842 3.651 1.00 0.00 O ATOM 0 H SER A 106 -4.954 2.039 3.279 1.00 0.00 H new ATOM 0 HA SER A 106 -4.473 1.029 5.741 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.397 0.267 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.435 0.386 3.508 1.00 0.00 H new ATOM 0 HG SER A 106 -2.413 2.698 3.446 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.720 2.324 7.084 1.00 0.00 N ATOM 1578 CA GLU A 107 -2.029 3.208 8.007 1.00 0.00 C ATOM 1579 C GLU A 107 -1.012 4.069 7.256 1.00 0.00 C ATOM 1580 O GLU A 107 -0.514 3.673 6.203 1.00 0.00 O ATOM 1581 CB GLU A 107 -1.355 2.412 9.126 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.766 1.105 8.592 1.00 0.00 C ATOM 1583 CD GLU A 107 0.421 0.650 9.443 1.00 0.00 C ATOM 1584 OE1 GLU A 107 0.160 0.136 10.552 1.00 0.00 O ATOM 1585 OE2 GLU A 107 1.563 0.826 8.966 1.00 0.00 O ATOM 0 H GLU A 107 -2.744 1.345 7.369 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.764 3.868 8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.566 3.012 9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -2.080 2.194 9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.533 0.331 8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.446 1.241 7.559 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.733 5.232 7.827 1.00 0.00 N ATOM 1593 CA GLN A 108 0.217 6.153 7.226 1.00 0.00 C ATOM 1594 C GLN A 108 1.643 5.622 7.383 1.00 0.00 C ATOM 1595 O GLN A 108 2.272 5.819 8.422 1.00 0.00 O ATOM 1596 CB GLN A 108 0.082 7.552 7.830 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.779 8.452 6.942 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.523 9.929 7.248 1.00 0.00 C ATOM 1599 OE1 GLN A 108 -1.154 10.531 8.102 1.00 0.00 O ATOM 1600 NE2 GLN A 108 0.434 10.478 6.505 1.00 0.00 N ATOM 0 H GLN A 108 -1.148 5.558 8.700 1.00 0.00 H new ATOM 0 HA GLN A 108 -0.005 6.231 6.162 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.363 7.482 8.823 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.070 7.995 7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.560 8.251 5.893 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.833 8.222 7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 108 0.923 9.917 5.807 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.679 11.460 6.633 1.00 0.00 H new ATOM 1609 N TYR A 109 2.113 4.960 6.336 1.00 0.00 N ATOM 1610 CA TYR A 109 3.453 4.400 6.345 1.00 0.00 C ATOM 1611 C TYR A 109 4.452 5.358 5.693 1.00 0.00 C ATOM 1612 O TYR A 109 4.340 5.665 4.507 1.00 0.00 O ATOM 1613 CB TYR A 109 3.380 3.116 5.515 1.00 0.00 C ATOM 1614 CG TYR A 109 4.644 2.257 5.584 1.00 0.00 C ATOM 1615 CD1 TYR A 109 4.845 1.409 6.654 1.00 0.00 C ATOM 1616 CD2 TYR A 109 5.584 2.330 4.575 1.00 0.00 C ATOM 1617 CE1 TYR A 109 6.034 0.601 6.719 1.00 0.00 C ATOM 1618 CE2 TYR A 109 6.773 1.521 4.640 1.00 0.00 C ATOM 1619 CZ TYR A 109 6.940 0.697 5.709 1.00 0.00 C ATOM 1620 OH TYR A 109 8.064 -0.067 5.770 1.00 0.00 O ATOM 0 H TYR A 109 1.589 4.799 5.476 1.00 0.00 H new ATOM 0 HA TYR A 109 3.786 4.219 7.367 1.00 0.00 H new ATOM 0 HB2 TYR A 109 2.531 2.523 5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 109 3.188 3.379 4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 109 4.110 1.352 7.443 1.00 0.00 H new ATOM 0 HD2 TYR A 109 5.427 2.994 3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.203 -0.067 7.551 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.516 1.567 3.857 1.00 0.00 H new ATOM 0 HH TYR A 109 7.814 -1.009 5.874 1.00 0.00 H new ATOM 1630 N LEU A 110 5.407 5.803 6.496 1.00 0.00 N ATOM 1631 CA LEU A 110 6.425 6.720 6.012 1.00 0.00 C ATOM 1632 C LEU A 110 7.794 6.040 6.083 1.00 0.00 C ATOM 1633 O LEU A 110 8.307 5.782 7.171 1.00 0.00 O ATOM 1634 CB LEU A 110 6.357 8.046 6.773 1.00 0.00 C ATOM 1635 CG LEU A 110 7.540 8.996 6.572 1.00 0.00 C ATOM 1636 CD1 LEU A 110 7.907 9.109 5.091 1.00 0.00 C ATOM 1637 CD2 LEU A 110 7.257 10.363 7.198 1.00 0.00 C ATOM 0 H LEU A 110 5.497 5.546 7.479 1.00 0.00 H new ATOM 0 HA LEU A 110 6.246 6.969 4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.445 8.565 6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.269 7.827 7.837 1.00 0.00 H new ATOM 0 HG LEU A 110 8.405 8.578 7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.750 9.790 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.180 8.126 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.053 9.492 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.113 11.019 7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.374 10.801 6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.082 10.244 8.267 1.00 0.00 H new ATOM 1649 N THR A 111 8.346 5.769 4.910 1.00 0.00 N ATOM 1650 CA THR A 111 9.645 5.123 4.825 1.00 0.00 C ATOM 1651 C THR A 111 10.682 5.904 5.635 1.00 0.00 C ATOM 1652 O THR A 111 10.507 7.094 5.891 1.00 0.00 O ATOM 1653 CB THR A 111 10.008 4.985 3.345 1.00 0.00 C ATOM 1654 OG1 THR A 111 9.859 6.304 2.826 1.00 0.00 O ATOM 1655 CG2 THR A 111 8.984 4.159 2.565 1.00 0.00 C ATOM 0 H THR A 111 7.917 5.985 4.010 1.00 0.00 H new ATOM 0 HA THR A 111 9.621 4.125 5.263 1.00 0.00 H new ATOM 0 HB THR A 111 10.991 4.523 3.254 1.00 0.00 H new ATOM 0 HG1 THR A 111 9.037 6.356 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 111 9.290 4.092 1.521 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.925 3.157 2.990 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.007 4.638 2.627 1.00 0.00 H new ATOM 1663 N LYS A 112 11.738 5.201 6.016 1.00 0.00 N ATOM 1664 CA LYS A 112 12.804 5.813 6.792 1.00 0.00 C ATOM 1665 C LYS A 112 13.095 7.209 6.238 1.00 0.00 C ATOM 1666 O LYS A 112 12.786 7.499 5.083 1.00 0.00 O ATOM 1667 CB LYS A 112 14.030 4.899 6.833 1.00 0.00 C ATOM 1668 CG LYS A 112 13.684 3.546 7.459 1.00 0.00 C ATOM 1669 CD LYS A 112 14.199 2.394 6.594 1.00 0.00 C ATOM 1670 CE LYS A 112 14.785 1.277 7.459 1.00 0.00 C ATOM 1671 NZ LYS A 112 16.234 1.492 7.671 1.00 0.00 N ATOM 0 H LYS A 112 11.879 4.214 5.802 1.00 0.00 H new ATOM 0 HA LYS A 112 12.496 5.940 7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.411 4.750 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.825 5.376 7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.120 3.480 8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.604 3.462 7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.385 1.999 5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.960 2.763 5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 112 14.272 1.246 8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.621 0.313 6.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.616 0.725 8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 16.722 1.499 6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.383 2.403 8.149 1.00 0.00 H new ATOM 1685 N ALA A 113 13.688 8.036 7.087 1.00 0.00 N ATOM 1686 CA ALA A 113 14.025 9.394 6.696 1.00 0.00 C ATOM 1687 C ALA A 113 14.881 10.037 7.789 1.00 0.00 C ATOM 1688 O ALA A 113 14.527 11.088 8.322 1.00 0.00 O ATOM 1689 CB ALA A 113 12.741 10.180 6.422 1.00 0.00 C ATOM 0 H ALA A 113 13.944 7.792 8.044 1.00 0.00 H new ATOM 0 HA ALA A 113 14.610 9.395 5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.994 11.199 6.129 1.00 0.00 H new ATOM 0 HB2 ALA A 113 12.184 9.698 5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 113 12.129 10.203 7.324 1.00 0.00 H new ATOM 1695 N SER A 114 15.990 9.379 8.091 1.00 0.00 N ATOM 1696 CA SER A 114 16.899 9.874 9.112 1.00 0.00 C ATOM 1697 C SER A 114 16.110 10.319 10.344 1.00 0.00 C ATOM 1698 O SER A 114 16.303 11.427 10.843 1.00 0.00 O ATOM 1699 CB SER A 114 17.748 11.030 8.579 1.00 0.00 C ATOM 1700 OG SER A 114 19.081 10.621 8.282 1.00 0.00 O ATOM 0 H SER A 114 16.280 8.508 7.647 1.00 0.00 H new ATOM 0 HA SER A 114 17.572 9.064 9.393 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.284 11.436 7.680 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.771 11.833 9.316 1.00 0.00 H new ATOM 0 HG SER A 114 19.590 11.387 7.943 1.00 0.00 H new ATOM 1706 N GLU A 115 15.238 9.432 10.801 1.00 0.00 N ATOM 1707 CA GLU A 115 14.418 9.720 11.966 1.00 0.00 C ATOM 1708 C GLU A 115 13.665 8.463 12.408 1.00 0.00 C ATOM 1709 O GLU A 115 13.283 7.640 11.578 1.00 0.00 O ATOM 1710 CB GLU A 115 13.449 10.870 11.685 1.00 0.00 C ATOM 1711 CG GLU A 115 13.790 12.094 12.536 1.00 0.00 C ATOM 1712 CD GLU A 115 13.103 13.349 11.991 1.00 0.00 C ATOM 1713 OE1 GLU A 115 11.887 13.256 11.717 1.00 0.00 O ATOM 1714 OE2 GLU A 115 13.810 14.371 11.862 1.00 0.00 O ATOM 0 H GLU A 115 15.081 8.514 10.386 1.00 0.00 H new ATOM 0 HA GLU A 115 15.073 10.033 12.779 1.00 0.00 H new ATOM 0 HB2 GLU A 115 13.490 11.135 10.628 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.428 10.550 11.895 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.479 11.923 13.567 1.00 0.00 H new ATOM 0 HG3 GLU A 115 14.870 12.243 12.550 1.00 0.00 H new ATOM 1721 N PRO A 116 13.469 8.353 13.749 1.00 0.00 N ATOM 1722 CA PRO A 116 12.768 7.211 14.312 1.00 0.00 C ATOM 1723 C PRO A 116 11.262 7.317 14.066 1.00 0.00 C ATOM 1724 O PRO A 116 10.821 8.083 13.210 1.00 0.00 O ATOM 1725 CB PRO A 116 13.131 7.215 15.788 1.00 0.00 C ATOM 1726 CG PRO A 116 13.640 8.616 16.088 1.00 0.00 C ATOM 1727 CD PRO A 116 13.908 9.309 14.762 1.00 0.00 C ATOM 0 HA PRO A 116 13.057 6.268 13.847 1.00 0.00 H new ATOM 0 HB2 PRO A 116 12.265 6.974 16.404 1.00 0.00 H new ATOM 0 HB3 PRO A 116 13.894 6.467 16.005 1.00 0.00 H new ATOM 0 HG2 PRO A 116 12.904 9.173 16.668 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.550 8.571 16.686 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.357 10.247 14.687 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.965 9.550 14.648 1.00 0.00 H new ATOM 1735 N ASP A 117 10.514 6.536 14.831 1.00 0.00 N ATOM 1736 CA ASP A 117 9.066 6.532 14.706 1.00 0.00 C ATOM 1737 C ASP A 117 8.679 6.009 13.322 1.00 0.00 C ATOM 1738 O ASP A 117 9.531 5.870 12.446 1.00 0.00 O ATOM 1739 CB ASP A 117 8.496 7.944 14.855 1.00 0.00 C ATOM 1740 CG ASP A 117 7.271 8.055 15.765 1.00 0.00 C ATOM 1741 OD1 ASP A 117 7.416 7.706 16.956 1.00 0.00 O ATOM 1742 OD2 ASP A 117 6.218 8.486 15.248 1.00 0.00 O ATOM 0 H ASP A 117 10.883 5.902 15.539 1.00 0.00 H new ATOM 0 HA ASP A 117 8.662 5.895 15.493 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.278 8.596 15.243 1.00 0.00 H new ATOM 0 HB3 ASP A 117 8.230 8.318 13.866 1.00 0.00 H new ATOM 1747 N LYS A 118 7.392 5.733 13.167 1.00 0.00 N ATOM 1748 CA LYS A 118 6.882 5.228 11.903 1.00 0.00 C ATOM 1749 C LYS A 118 5.748 6.134 11.418 1.00 0.00 C ATOM 1750 O LYS A 118 4.584 5.737 11.425 1.00 0.00 O ATOM 1751 CB LYS A 118 6.479 3.758 12.037 1.00 0.00 C ATOM 1752 CG LYS A 118 7.705 2.845 11.961 1.00 0.00 C ATOM 1753 CD LYS A 118 7.632 1.741 13.018 1.00 0.00 C ATOM 1754 CE LYS A 118 8.833 1.807 13.963 1.00 0.00 C ATOM 1755 NZ LYS A 118 8.440 1.396 15.330 1.00 0.00 N ATOM 0 H LYS A 118 6.688 5.849 13.895 1.00 0.00 H new ATOM 0 HA LYS A 118 7.660 5.253 11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 118 5.964 3.603 12.985 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.776 3.496 11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 118 7.770 2.399 10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.611 3.434 12.106 1.00 0.00 H new ATOM 0 HD2 LYS A 118 6.709 1.840 13.589 1.00 0.00 H new ATOM 0 HD3 LYS A 118 7.602 0.767 12.530 1.00 0.00 H new ATOM 0 HE2 LYS A 118 9.628 1.158 13.596 1.00 0.00 H new ATOM 0 HE3 LYS A 118 9.233 2.821 13.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 9.267 1.446 15.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.697 2.032 15.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 8.080 0.421 15.309 1.00 0.00 H new ATOM 1769 N ASN A 119 6.129 7.336 11.008 1.00 0.00 N ATOM 1770 CA ASN A 119 5.159 8.301 10.520 1.00 0.00 C ATOM 1771 C ASN A 119 4.316 8.808 11.692 1.00 0.00 C ATOM 1772 O ASN A 119 3.521 8.060 12.258 1.00 0.00 O ATOM 1773 CB ASN A 119 4.214 7.665 9.498 1.00 0.00 C ATOM 1774 CG ASN A 119 3.750 8.694 8.465 1.00 0.00 C ATOM 1775 OD1 ASN A 119 3.753 9.892 8.699 1.00 0.00 O ATOM 1776 ND2 ASN A 119 3.353 8.162 7.313 1.00 0.00 N ATOM 0 H ASN A 119 7.095 7.663 11.004 1.00 0.00 H new ATOM 0 HA ASN A 119 5.705 9.117 10.047 1.00 0.00 H new ATOM 0 HB2 ASN A 119 4.719 6.841 8.994 1.00 0.00 H new ATOM 0 HB3 ASN A 119 3.349 7.243 10.010 1.00 0.00 H new ATOM 0 HD21 ASN A 119 3.025 8.765 6.559 1.00 0.00 H new ATOM 0 HD22 ASN A 119 3.376 7.151 7.184 1.00 0.00 H new ATOM 1783 N PRO A 120 4.524 10.109 12.029 1.00 0.00 N ATOM 1784 CA PRO A 120 3.793 10.725 13.123 1.00 0.00 C ATOM 1785 C PRO A 120 2.349 11.025 12.717 1.00 0.00 C ATOM 1786 O PRO A 120 2.089 11.993 12.005 1.00 0.00 O ATOM 1787 CB PRO A 120 4.584 11.975 13.472 1.00 0.00 C ATOM 1788 CG PRO A 120 5.463 12.261 12.265 1.00 0.00 C ATOM 1789 CD PRO A 120 5.458 11.025 11.380 1.00 0.00 C ATOM 0 HA PRO A 120 3.705 10.071 13.991 1.00 0.00 H new ATOM 0 HB2 PRO A 120 3.919 12.813 13.678 1.00 0.00 H new ATOM 0 HB3 PRO A 120 5.187 11.819 14.366 1.00 0.00 H new ATOM 0 HG2 PRO A 120 5.088 13.125 11.716 1.00 0.00 H new ATOM 0 HG3 PRO A 120 6.479 12.500 12.581 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.138 11.265 10.366 1.00 0.00 H new ATOM 0 HD3 PRO A 120 6.454 10.588 11.304 1.00 0.00 H new ATOM 1797 N THR A 121 1.446 10.176 13.188 1.00 0.00 N ATOM 1798 CA THR A 121 0.035 10.339 12.883 1.00 0.00 C ATOM 1799 C THR A 121 -0.809 10.144 14.143 1.00 0.00 C ATOM 1800 O THR A 121 -0.551 9.237 14.934 1.00 0.00 O ATOM 1801 CB THR A 121 -0.320 9.366 11.757 1.00 0.00 C ATOM 1802 OG1 THR A 121 -1.671 9.685 11.435 1.00 0.00 O ATOM 1803 CG2 THR A 121 -0.384 7.914 12.236 1.00 0.00 C ATOM 0 H THR A 121 1.665 9.374 13.778 1.00 0.00 H new ATOM 0 HA THR A 121 -0.181 11.350 12.539 1.00 0.00 H new ATOM 0 HB THR A 121 0.416 9.452 10.958 1.00 0.00 H new ATOM 0 HG1 THR A 121 -1.981 9.102 10.711 1.00 0.00 H new ATOM 0 HG21 THR A 121 -0.640 7.265 11.398 1.00 0.00 H new ATOM 0 HG22 THR A 121 0.585 7.621 12.639 1.00 0.00 H new ATOM 0 HG23 THR A 121 -1.143 7.820 13.012 1.00 0.00 H new ATOM 1811 N SER A 122 -1.802 11.009 14.292 1.00 0.00 N ATOM 1812 CA SER A 122 -2.686 10.943 15.444 1.00 0.00 C ATOM 1813 C SER A 122 -3.592 9.715 15.337 1.00 0.00 C ATOM 1814 O SER A 122 -3.569 8.844 16.206 1.00 0.00 O ATOM 1815 CB SER A 122 -3.527 12.215 15.566 1.00 0.00 C ATOM 1816 OG SER A 122 -3.800 12.545 16.925 1.00 0.00 O ATOM 0 H SER A 122 -2.014 11.759 13.634 1.00 0.00 H new ATOM 0 HA SER A 122 -2.074 10.858 16.342 1.00 0.00 H new ATOM 0 HB2 SER A 122 -3.003 13.044 15.090 1.00 0.00 H new ATOM 0 HB3 SER A 122 -4.466 12.082 15.029 1.00 0.00 H new ATOM 0 HG SER A 122 -4.337 13.364 16.961 1.00 0.00 H new ATOM 1822 N GLY A 123 -4.370 9.684 14.265 1.00 0.00 N ATOM 1823 CA GLY A 123 -5.283 8.578 14.034 1.00 0.00 C ATOM 1824 C GLY A 123 -6.731 8.998 14.293 1.00 0.00 C ATOM 1825 O GLY A 123 -6.982 9.956 15.023 1.00 0.00 O ATOM 0 H GLY A 123 -4.387 10.408 13.546 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -5.181 8.226 13.007 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.021 7.744 14.685 1.00 0.00 H new ATOM 1829 N PRO A 124 -7.671 8.242 13.665 1.00 0.00 N ATOM 1830 CA PRO A 124 -9.087 8.526 13.820 1.00 0.00 C ATOM 1831 C PRO A 124 -9.590 8.073 15.192 1.00 0.00 C ATOM 1832 O PRO A 124 -10.267 7.052 15.303 1.00 0.00 O ATOM 1833 CB PRO A 124 -9.763 7.798 12.670 1.00 0.00 C ATOM 1834 CG PRO A 124 -8.763 6.760 12.188 1.00 0.00 C ATOM 1835 CD PRO A 124 -7.410 7.100 12.793 1.00 0.00 C ATOM 0 HA PRO A 124 -9.308 9.593 13.783 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -10.689 7.325 12.997 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -10.024 8.490 11.869 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -9.075 5.760 12.489 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -8.706 6.762 11.100 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -7.004 6.258 13.354 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -6.682 7.349 12.021 1.00 0.00 H new ATOM 1843 N SER A 125 -9.239 8.854 16.203 1.00 0.00 N ATOM 1844 CA SER A 125 -9.647 8.546 17.563 1.00 0.00 C ATOM 1845 C SER A 125 -9.311 7.090 17.893 1.00 0.00 C ATOM 1846 O SER A 125 -10.098 6.188 17.607 1.00 0.00 O ATOM 1847 CB SER A 125 -11.142 8.805 17.762 1.00 0.00 C ATOM 1848 OG SER A 125 -11.625 8.233 18.975 1.00 0.00 O ATOM 0 H SER A 125 -8.677 9.700 16.108 1.00 0.00 H new ATOM 0 HA SER A 125 -9.100 9.201 18.241 1.00 0.00 H new ATOM 0 HB2 SER A 125 -11.326 9.879 17.769 1.00 0.00 H new ATOM 0 HB3 SER A 125 -11.697 8.392 16.920 1.00 0.00 H new ATOM 0 HG SER A 125 -12.582 8.421 19.067 1.00 0.00 H new ATOM 1854 N SER A 126 -8.143 6.906 18.490 1.00 0.00 N ATOM 1855 CA SER A 126 -7.694 5.575 18.861 1.00 0.00 C ATOM 1856 C SER A 126 -7.599 4.689 17.618 1.00 0.00 C ATOM 1857 O SER A 126 -8.262 4.947 16.615 1.00 0.00 O ATOM 1858 CB SER A 126 -8.633 4.945 19.892 1.00 0.00 C ATOM 1859 OG SER A 126 -8.306 3.582 20.148 1.00 0.00 O ATOM 0 H SER A 126 -7.494 7.656 18.726 1.00 0.00 H new ATOM 0 HA SER A 126 -6.706 5.661 19.314 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.582 5.511 20.822 1.00 0.00 H new ATOM 0 HB3 SER A 126 -9.661 5.010 19.534 1.00 0.00 H new ATOM 0 HG SER A 126 -8.927 3.216 20.812 1.00 0.00 H new ATOM 1865 N GLY A 127 -6.769 3.661 17.725 1.00 0.00 N ATOM 1866 CA GLY A 127 -6.579 2.735 16.621 1.00 0.00 C ATOM 1867 C GLY A 127 -5.339 1.867 16.841 1.00 0.00 C ATOM 1868 O GLY A 127 -4.486 1.762 15.961 1.00 0.00 O ATOM 0 H GLY A 127 -6.221 3.449 18.559 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.459 2.100 16.519 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -6.478 3.291 15.689 1.00 0.00 H new TER 1872 GLY A 127