USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 838 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 92 GLN : amide:sc= -1.41 K(o=-1.5,f=-5.8!) USER MOD Set 1.2: A 97 GLN : amide:sc= -0.117 K(o=-1.5,f=-2.3) USER MOD Set 2.1: A 56 THR OG1 : rot -140:sc= 0 USER MOD Set 2.2: A 112 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 35 SER OG : rot 69:sc= -0.254 USER MOD Set 3.2: A 38 GLN : amide:sc= 0 K(o=-0.25,f=-1) USER MOD Set 4.1: A 32 THR OG1 : rot -88:sc= 0.0677 USER MOD Set 4.2: A 34 HIS : no HE2:sc= -0.538 X(o=-0.47,f=-0.58) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.00647 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0881 USER MOD Single : A 6 SER OG : rot 29:sc= 0.692 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -153:sc= -0.236 (180deg=-1.62!) USER MOD Single : A 14 ASN : amide:sc= -0.942 K(o=-0.94,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 63:sc= 0.0406 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 100:sc= -0.92 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 62 TYR OH : rot -28:sc= 1.24 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 74 SER OG : rot -86:sc= 0.512 USER MOD Single : A 78 MET CE :methyl -106:sc= -7.69! (180deg=-10.8!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 134:sc= -1.52 (180deg=-3.89!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 118:sc= -0.992 USER MOD Single : A 85 TYR OH : rot -29:sc= 0.55 USER MOD Single : A 86 TYR OH : rot 15:sc= -4.1! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.82) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.1) USER MOD Single : A 108 SER OG : rot 44:sc= 0.315 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.964 5.299 6.907 1.00 0.00 N ATOM 2 CA GLY A 1 -10.820 6.142 6.605 1.00 0.00 C ATOM 3 C GLY A 1 -10.295 6.828 7.868 1.00 0.00 C ATOM 4 O GLY A 1 -10.176 6.198 8.917 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.900 4.417 6.359 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.972 5.076 7.923 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.840 5.800 6.656 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.029 5.540 6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.103 6.895 5.869 1.00 0.00 H new ATOM 8 N SER A 2 -9.996 8.111 7.724 1.00 0.00 N ATOM 9 CA SER A 2 -9.487 8.890 8.841 1.00 0.00 C ATOM 10 C SER A 2 -10.602 9.760 9.423 1.00 0.00 C ATOM 11 O SER A 2 -10.970 10.778 8.838 1.00 0.00 O ATOM 12 CB SER A 2 -8.304 9.760 8.411 1.00 0.00 C ATOM 13 OG SER A 2 -7.067 9.057 8.491 1.00 0.00 O ATOM 0 H SER A 2 -10.096 8.630 6.852 1.00 0.00 H new ATOM 0 HA SER A 2 -9.136 8.200 9.608 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.460 10.104 7.389 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.258 10.647 9.042 1.00 0.00 H new ATOM 0 HG SER A 2 -6.337 9.646 8.207 1.00 0.00 H new ATOM 19 N SER A 3 -11.110 9.328 10.568 1.00 0.00 N ATOM 20 CA SER A 3 -12.176 10.055 11.236 1.00 0.00 C ATOM 21 C SER A 3 -11.617 11.319 11.891 1.00 0.00 C ATOM 22 O SER A 3 -10.743 11.241 12.753 1.00 0.00 O ATOM 23 CB SER A 3 -12.871 9.178 12.280 1.00 0.00 C ATOM 24 OG SER A 3 -13.790 9.922 13.075 1.00 0.00 O ATOM 0 H SER A 3 -10.803 8.483 11.050 1.00 0.00 H new ATOM 0 HA SER A 3 -12.917 10.339 10.489 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.399 8.367 11.779 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.122 8.720 12.925 1.00 0.00 H new ATOM 0 HG SER A 3 -14.214 9.327 13.728 1.00 0.00 H new ATOM 30 N GLY A 4 -12.143 12.455 11.457 1.00 0.00 N ATOM 31 CA GLY A 4 -11.707 13.734 11.991 1.00 0.00 C ATOM 32 C GLY A 4 -10.634 14.363 11.100 1.00 0.00 C ATOM 33 O GLY A 4 -9.482 14.495 11.509 1.00 0.00 O ATOM 0 H GLY A 4 -12.867 12.516 10.741 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.560 14.408 12.071 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.314 13.597 12.998 1.00 0.00 H new ATOM 37 N SER A 5 -11.050 14.733 9.898 1.00 0.00 N ATOM 38 CA SER A 5 -10.139 15.345 8.946 1.00 0.00 C ATOM 39 C SER A 5 -9.853 16.792 9.351 1.00 0.00 C ATOM 40 O SER A 5 -8.696 17.203 9.425 1.00 0.00 O ATOM 41 CB SER A 5 -10.709 15.294 7.527 1.00 0.00 C ATOM 42 OG SER A 5 -11.953 15.981 7.426 1.00 0.00 O ATOM 0 H SER A 5 -12.006 14.621 9.561 1.00 0.00 H new ATOM 0 HA SER A 5 -9.206 14.781 8.954 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.994 15.736 6.833 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.844 14.255 7.228 1.00 0.00 H new ATOM 0 HG SER A 5 -12.283 15.927 6.505 1.00 0.00 H new ATOM 48 N SER A 6 -10.927 17.526 9.602 1.00 0.00 N ATOM 49 CA SER A 6 -10.806 18.919 9.998 1.00 0.00 C ATOM 50 C SER A 6 -9.935 19.675 8.992 1.00 0.00 C ATOM 51 O SER A 6 -8.776 19.976 9.272 1.00 0.00 O ATOM 52 CB SER A 6 -10.220 19.043 11.405 1.00 0.00 C ATOM 53 OG SER A 6 -8.970 18.369 11.524 1.00 0.00 O ATOM 0 H SER A 6 -11.885 17.182 9.539 1.00 0.00 H new ATOM 0 HA SER A 6 -11.803 19.359 10.009 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.089 20.097 11.651 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.924 18.632 12.128 1.00 0.00 H new ATOM 0 HG SER A 6 -8.516 18.367 10.656 1.00 0.00 H new ATOM 59 N GLY A 7 -10.528 19.959 7.841 1.00 0.00 N ATOM 60 CA GLY A 7 -9.821 20.674 6.792 1.00 0.00 C ATOM 61 C GLY A 7 -9.614 19.784 5.566 1.00 0.00 C ATOM 62 O GLY A 7 -8.687 18.977 5.529 1.00 0.00 O ATOM 0 H GLY A 7 -11.490 19.707 7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.385 21.563 6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.855 21.014 7.166 1.00 0.00 H new ATOM 66 N PRO A 8 -10.516 19.966 4.565 1.00 0.00 N ATOM 67 CA PRO A 8 -10.442 19.189 3.339 1.00 0.00 C ATOM 68 C PRO A 8 -9.301 19.680 2.446 1.00 0.00 C ATOM 69 O PRO A 8 -9.534 20.395 1.473 1.00 0.00 O ATOM 70 CB PRO A 8 -11.809 19.341 2.693 1.00 0.00 C ATOM 71 CG PRO A 8 -12.441 20.564 3.337 1.00 0.00 C ATOM 72 CD PRO A 8 -11.628 20.913 4.573 1.00 0.00 C ATOM 0 HA PRO A 8 -10.217 18.138 3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.719 19.470 1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.420 18.453 2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.452 21.401 2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.477 20.361 3.607 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.272 21.942 4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.225 20.816 5.480 1.00 0.00 H new ATOM 80 N PHE A 9 -8.092 19.278 2.810 1.00 0.00 N ATOM 81 CA PHE A 9 -6.914 19.669 2.055 1.00 0.00 C ATOM 82 C PHE A 9 -5.973 18.480 1.853 1.00 0.00 C ATOM 83 O PHE A 9 -5.549 18.202 0.732 1.00 0.00 O ATOM 84 CB PHE A 9 -6.193 20.742 2.873 1.00 0.00 C ATOM 85 CG PHE A 9 -5.708 21.934 2.046 1.00 0.00 C ATOM 86 CD1 PHE A 9 -6.499 22.450 1.067 1.00 0.00 C ATOM 87 CD2 PHE A 9 -4.485 22.478 2.289 1.00 0.00 C ATOM 88 CE1 PHE A 9 -6.049 23.556 0.299 1.00 0.00 C ATOM 89 CE2 PHE A 9 -4.035 23.584 1.521 1.00 0.00 C ATOM 90 CZ PHE A 9 -4.826 24.100 0.542 1.00 0.00 C ATOM 0 H PHE A 9 -7.903 18.685 3.618 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.208 20.037 1.072 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.865 21.103 3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.338 20.289 3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.470 22.018 0.874 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.857 22.069 3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.677 23.965 -0.478 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.064 24.016 1.714 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.483 24.941 -0.042 1.00 0.00 H new ATOM 100 N CYS A 10 -5.672 17.811 2.956 1.00 0.00 N ATOM 101 CA CYS A 10 -4.788 16.658 2.915 1.00 0.00 C ATOM 102 C CYS A 10 -3.377 17.146 2.583 1.00 0.00 C ATOM 103 O CYS A 10 -3.067 17.419 1.424 1.00 0.00 O ATOM 104 CB CYS A 10 -5.277 15.606 1.917 1.00 0.00 C ATOM 105 SG CYS A 10 -4.882 13.928 2.533 1.00 0.00 S ATOM 0 H CYS A 10 -6.025 18.045 3.884 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.782 16.166 3.888 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -6.353 15.705 1.770 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.806 15.766 0.947 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.303 13.042 1.680 1.00 0.00 H new ATOM 111 N ALA A 11 -2.559 17.242 3.621 1.00 0.00 N ATOM 112 CA ALA A 11 -1.188 17.693 3.455 1.00 0.00 C ATOM 113 C ALA A 11 -0.283 16.482 3.217 1.00 0.00 C ATOM 114 O ALA A 11 -0.547 15.395 3.728 1.00 0.00 O ATOM 115 CB ALA A 11 -0.765 18.505 4.680 1.00 0.00 C ATOM 0 H ALA A 11 -2.820 17.015 4.581 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.101 18.346 2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.264 18.843 4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.420 19.369 4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.836 17.882 5.572 1.00 0.00 H new ATOM 121 N MET A 12 0.766 16.711 2.440 1.00 0.00 N ATOM 122 CA MET A 12 1.712 15.653 2.129 1.00 0.00 C ATOM 123 C MET A 12 2.892 16.193 1.319 1.00 0.00 C ATOM 124 O MET A 12 2.700 16.845 0.293 1.00 0.00 O ATOM 125 CB MET A 12 1.005 14.555 1.331 1.00 0.00 C ATOM 126 CG MET A 12 0.555 15.074 -0.036 1.00 0.00 C ATOM 127 SD MET A 12 -1.074 14.455 -0.419 1.00 0.00 S ATOM 128 CE MET A 12 -1.855 15.960 -0.976 1.00 0.00 C ATOM 0 H MET A 12 0.981 17.614 2.017 1.00 0.00 H new ATOM 0 HA MET A 12 2.094 15.246 3.065 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.677 13.707 1.199 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.141 14.194 1.889 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.548 16.164 -0.036 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.262 14.760 -0.804 1.00 0.00 H new ATOM 0 HE1 MET A 12 -2.929 15.898 -0.802 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.446 16.807 -0.426 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.667 16.095 -2.041 1.00 0.00 H new ATOM 138 N GLU A 13 4.088 15.903 1.810 1.00 0.00 N ATOM 139 CA GLU A 13 5.299 16.352 1.145 1.00 0.00 C ATOM 140 C GLU A 13 5.653 15.408 -0.006 1.00 0.00 C ATOM 141 O GLU A 13 5.891 15.853 -1.128 1.00 0.00 O ATOM 142 CB GLU A 13 6.459 16.467 2.137 1.00 0.00 C ATOM 143 CG GLU A 13 6.354 17.754 2.956 1.00 0.00 C ATOM 144 CD GLU A 13 7.490 17.849 3.977 1.00 0.00 C ATOM 145 OE1 GLU A 13 8.633 18.091 3.533 1.00 0.00 O ATOM 146 OE2 GLU A 13 7.189 17.677 5.178 1.00 0.00 O ATOM 0 H GLU A 13 4.244 15.362 2.661 1.00 0.00 H new ATOM 0 HA GLU A 13 5.118 17.344 0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.458 15.606 2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.406 16.451 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.386 18.616 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.394 17.784 3.471 1.00 0.00 H new ATOM 153 N ASN A 14 5.678 14.122 0.312 1.00 0.00 N ATOM 154 CA ASN A 14 5.999 13.111 -0.681 1.00 0.00 C ATOM 155 C ASN A 14 4.772 12.857 -1.559 1.00 0.00 C ATOM 156 O ASN A 14 3.645 12.839 -1.066 1.00 0.00 O ATOM 157 CB ASN A 14 6.387 11.789 -0.017 1.00 0.00 C ATOM 158 CG ASN A 14 7.429 11.041 -0.851 1.00 0.00 C ATOM 159 OD1 ASN A 14 8.584 10.911 -0.478 1.00 0.00 O ATOM 160 ND2 ASN A 14 6.959 10.559 -1.997 1.00 0.00 N ATOM 0 H ASN A 14 5.481 13.757 1.244 1.00 0.00 H new ATOM 0 HA ASN A 14 6.838 13.476 -1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.784 11.981 0.980 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.501 11.167 0.107 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.576 10.044 -2.625 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.981 10.704 -2.248 1.00 0.00 H new ATOM 167 N GLN A 15 5.032 12.667 -2.844 1.00 0.00 N ATOM 168 CA GLN A 15 3.963 12.414 -3.795 1.00 0.00 C ATOM 169 C GLN A 15 2.975 11.394 -3.224 1.00 0.00 C ATOM 170 O GLN A 15 3.298 10.673 -2.282 1.00 0.00 O ATOM 171 CB GLN A 15 4.524 11.942 -5.138 1.00 0.00 C ATOM 172 CG GLN A 15 4.650 13.108 -6.120 1.00 0.00 C ATOM 173 CD GLN A 15 3.922 12.803 -7.431 1.00 0.00 C ATOM 174 OE1 GLN A 15 4.523 12.620 -8.477 1.00 0.00 O ATOM 175 NE2 GLN A 15 2.598 12.757 -7.316 1.00 0.00 N ATOM 0 H GLN A 15 5.968 12.683 -3.249 1.00 0.00 H new ATOM 0 HA GLN A 15 3.430 13.348 -3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.501 11.482 -4.987 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.873 11.176 -5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.236 14.011 -5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.703 13.306 -6.322 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.159 12.920 -6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.022 12.559 -8.134 1.00 0.00 H new ATOM 184 N VAL A 16 1.792 11.367 -3.820 1.00 0.00 N ATOM 185 CA VAL A 16 0.755 10.448 -3.382 1.00 0.00 C ATOM 186 C VAL A 16 1.235 9.010 -3.588 1.00 0.00 C ATOM 187 O VAL A 16 2.261 8.779 -4.225 1.00 0.00 O ATOM 188 CB VAL A 16 -0.555 10.751 -4.113 1.00 0.00 C ATOM 189 CG1 VAL A 16 -1.027 12.178 -3.823 1.00 0.00 C ATOM 190 CG2 VAL A 16 -0.411 10.516 -5.617 1.00 0.00 C ATOM 0 H VAL A 16 1.529 11.966 -4.602 1.00 0.00 H new ATOM 0 HA VAL A 16 0.555 10.576 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.314 10.064 -3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.960 12.368 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.189 12.297 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.269 12.887 -4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.356 10.739 -6.112 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.369 11.166 -6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.143 9.475 -5.799 1.00 0.00 H new ATOM 200 N LEU A 17 0.469 8.080 -3.036 1.00 0.00 N ATOM 201 CA LEU A 17 0.803 6.671 -3.150 1.00 0.00 C ATOM 202 C LEU A 17 -0.264 5.965 -3.988 1.00 0.00 C ATOM 203 O LEU A 17 -1.434 6.343 -3.957 1.00 0.00 O ATOM 204 CB LEU A 17 1.005 6.054 -1.765 1.00 0.00 C ATOM 205 CG LEU A 17 0.936 4.527 -1.694 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.332 3.910 -1.796 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.198 4.069 -0.435 1.00 0.00 C ATOM 0 H LEU A 17 -0.382 8.275 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 17 1.752 6.546 -3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.976 6.372 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.251 6.464 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 17 0.363 4.171 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.255 2.824 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.788 4.195 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.950 4.270 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.163 2.980 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.722 4.436 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.818 4.464 -0.445 1.00 0.00 H new ATOM 219 N VAL A 18 0.177 4.951 -4.719 1.00 0.00 N ATOM 220 CA VAL A 18 -0.726 4.188 -5.564 1.00 0.00 C ATOM 221 C VAL A 18 -0.562 2.697 -5.263 1.00 0.00 C ATOM 222 O VAL A 18 0.465 2.104 -5.587 1.00 0.00 O ATOM 223 CB VAL A 18 -0.481 4.532 -7.035 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.441 3.763 -7.945 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.590 6.039 -7.272 1.00 0.00 C ATOM 0 H VAL A 18 1.148 4.640 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.762 4.450 -5.351 1.00 0.00 H new ATOM 0 HB VAL A 18 0.535 4.227 -7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.246 4.026 -8.985 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.293 2.692 -7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.469 4.023 -7.692 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.412 6.256 -8.325 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.588 6.380 -6.996 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.152 6.557 -6.664 1.00 0.00 H new ATOM 235 N ILE A 19 -1.591 2.135 -4.646 1.00 0.00 N ATOM 236 CA ILE A 19 -1.575 0.724 -4.297 1.00 0.00 C ATOM 237 C ILE A 19 -2.273 -0.077 -5.398 1.00 0.00 C ATOM 238 O ILE A 19 -3.387 0.256 -5.800 1.00 0.00 O ATOM 239 CB ILE A 19 -2.173 0.509 -2.906 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.296 1.148 -1.827 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.419 -0.977 -2.638 1.00 0.00 C ATOM 242 CD1 ILE A 19 -2.039 1.228 -0.492 1.00 0.00 C ATOM 0 H ILE A 19 -2.441 2.631 -4.379 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.550 0.358 -4.237 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.142 1.007 -2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.382 0.566 -1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.997 2.148 -2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.844 -1.102 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.113 -1.371 -3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.475 -1.519 -2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.393 1.686 0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.939 1.831 -0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.315 0.224 -0.168 1.00 0.00 H new ATOM 254 N ARG A 20 -1.590 -1.117 -5.852 1.00 0.00 N ATOM 255 CA ARG A 20 -2.132 -1.968 -6.898 1.00 0.00 C ATOM 256 C ARG A 20 -2.542 -3.324 -6.320 1.00 0.00 C ATOM 257 O ARG A 20 -1.693 -4.178 -6.069 1.00 0.00 O ATOM 258 CB ARG A 20 -1.109 -2.186 -8.015 1.00 0.00 C ATOM 259 CG ARG A 20 -1.484 -3.396 -8.873 1.00 0.00 C ATOM 260 CD ARG A 20 -0.475 -3.599 -10.006 1.00 0.00 C ATOM 261 NE ARG A 20 -0.803 -4.828 -10.762 1.00 0.00 N ATOM 262 CZ ARG A 20 0.052 -5.459 -11.578 1.00 0.00 C ATOM 263 NH1 ARG A 20 1.291 -4.979 -11.750 1.00 0.00 N ATOM 264 NH2 ARG A 20 -0.332 -6.568 -12.224 1.00 0.00 N ATOM 0 H ARG A 20 -0.667 -1.390 -5.515 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.006 -1.467 -7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.053 -1.295 -8.641 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.119 -2.335 -7.583 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.522 -4.290 -8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.481 -3.256 -9.290 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.487 -2.737 -10.674 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.533 -3.672 -9.598 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.739 -5.219 -10.655 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.583 -4.134 -11.260 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.942 -5.459 -12.371 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.276 -6.933 -12.095 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.319 -7.048 -12.845 1.00 0.00 H new ATOM 278 N ILE A 21 -3.843 -3.479 -6.125 1.00 0.00 N ATOM 279 CA ILE A 21 -4.376 -4.717 -5.581 1.00 0.00 C ATOM 280 C ILE A 21 -4.473 -5.759 -6.697 1.00 0.00 C ATOM 281 O ILE A 21 -5.193 -5.562 -7.674 1.00 0.00 O ATOM 282 CB ILE A 21 -5.702 -4.459 -4.862 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.498 -3.562 -3.640 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.393 -5.775 -4.499 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.873 -2.112 -3.955 1.00 0.00 C ATOM 0 H ILE A 21 -4.544 -2.768 -6.334 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.704 -5.122 -4.824 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.363 -3.926 -5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.105 -3.927 -2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.458 -3.611 -3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.333 -5.564 -3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.593 -6.344 -5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.746 -6.356 -3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.719 -1.496 -3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.247 -1.743 -4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.920 -2.064 -4.253 1.00 0.00 H new ATOM 297 N LYS A 22 -3.739 -6.846 -6.513 1.00 0.00 N ATOM 298 CA LYS A 22 -3.733 -7.920 -7.492 1.00 0.00 C ATOM 299 C LYS A 22 -5.094 -8.619 -7.483 1.00 0.00 C ATOM 300 O LYS A 22 -5.408 -9.363 -6.555 1.00 0.00 O ATOM 301 CB LYS A 22 -2.555 -8.864 -7.245 1.00 0.00 C ATOM 302 CG LYS A 22 -1.475 -8.685 -8.314 1.00 0.00 C ATOM 303 CD LYS A 22 -2.036 -8.963 -9.711 1.00 0.00 C ATOM 304 CE LYS A 22 -1.397 -10.213 -10.319 1.00 0.00 C ATOM 305 NZ LYS A 22 -2.271 -11.391 -10.119 1.00 0.00 N ATOM 0 H LYS A 22 -3.144 -7.007 -5.700 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.586 -7.520 -8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.131 -8.672 -6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.905 -9.896 -7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.081 -7.670 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.642 -9.359 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.117 -9.094 -9.654 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.853 -8.105 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.223 -10.058 -11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.425 -10.392 -9.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.823 -12.231 -10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.416 -11.547 -9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.189 -11.224 -10.578 1.00 0.00 H new ATOM 319 N ILE A 23 -5.866 -8.355 -8.527 1.00 0.00 N ATOM 320 CA ILE A 23 -7.186 -8.950 -8.651 1.00 0.00 C ATOM 321 C ILE A 23 -7.057 -10.344 -9.269 1.00 0.00 C ATOM 322 O ILE A 23 -6.248 -10.554 -10.171 1.00 0.00 O ATOM 323 CB ILE A 23 -8.122 -8.019 -9.424 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.026 -6.585 -8.900 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.560 -8.543 -9.399 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.156 -6.285 -7.913 1.00 0.00 C ATOM 0 H ILE A 23 -5.603 -7.737 -9.295 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.640 -9.078 -7.668 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.803 -8.003 -10.466 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.063 -6.436 -8.412 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.072 -5.885 -9.734 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.205 -7.863 -9.956 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.595 -9.532 -9.856 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.906 -8.608 -8.367 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.064 -5.259 -7.556 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.117 -6.411 -8.411 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.093 -6.971 -7.068 1.00 0.00 H new ATOM 338 N PRO A 24 -7.888 -11.284 -8.744 1.00 0.00 N ATOM 339 CA PRO A 24 -7.874 -12.652 -9.235 1.00 0.00 C ATOM 340 C PRO A 24 -8.563 -12.753 -10.597 1.00 0.00 C ATOM 341 O PRO A 24 -9.768 -12.531 -10.706 1.00 0.00 O ATOM 342 CB PRO A 24 -8.571 -13.464 -8.155 1.00 0.00 C ATOM 343 CG PRO A 24 -9.357 -12.463 -7.323 1.00 0.00 C ATOM 344 CD PRO A 24 -8.859 -11.071 -7.675 1.00 0.00 C ATOM 0 HA PRO A 24 -6.865 -13.027 -9.408 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.232 -14.212 -8.594 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.847 -14.000 -7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.424 -12.550 -7.529 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.220 -12.660 -6.260 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.676 -10.430 -8.005 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.400 -10.585 -6.814 1.00 0.00 H new ATOM 352 N ASN A 25 -7.768 -13.089 -11.603 1.00 0.00 N ATOM 353 CA ASN A 25 -8.286 -13.222 -12.954 1.00 0.00 C ATOM 354 C ASN A 25 -9.178 -12.021 -13.274 1.00 0.00 C ATOM 355 O ASN A 25 -10.357 -12.184 -13.583 1.00 0.00 O ATOM 356 CB ASN A 25 -9.131 -14.490 -13.097 1.00 0.00 C ATOM 357 CG ASN A 25 -8.250 -15.705 -13.393 1.00 0.00 C ATOM 358 OD1 ASN A 25 -7.823 -16.426 -12.506 1.00 0.00 O ATOM 359 ND2 ASN A 25 -8.003 -15.891 -14.687 1.00 0.00 N ATOM 0 H ASN A 25 -6.769 -13.273 -11.509 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.438 -13.274 -13.637 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.696 -14.660 -12.180 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.857 -14.359 -13.899 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.425 -16.675 -14.988 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.392 -15.249 -15.378 1.00 0.00 H new ATOM 366 N SER A 26 -8.580 -10.841 -13.190 1.00 0.00 N ATOM 367 CA SER A 26 -9.305 -9.613 -13.467 1.00 0.00 C ATOM 368 C SER A 26 -8.365 -8.412 -13.348 1.00 0.00 C ATOM 369 O SER A 26 -8.769 -7.346 -12.888 1.00 0.00 O ATOM 370 CB SER A 26 -10.496 -9.451 -12.520 1.00 0.00 C ATOM 371 OG SER A 26 -11.741 -9.541 -13.207 1.00 0.00 O ATOM 0 H SER A 26 -7.601 -10.710 -12.934 1.00 0.00 H new ATOM 0 HA SER A 26 -9.690 -9.665 -14.485 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.452 -10.219 -11.748 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.429 -8.487 -12.015 1.00 0.00 H new ATOM 0 HG SER A 26 -11.831 -10.431 -13.606 1.00 0.00 H new ATOM 377 N GLY A 27 -7.128 -8.625 -13.772 1.00 0.00 N ATOM 378 CA GLY A 27 -6.127 -7.573 -13.719 1.00 0.00 C ATOM 379 C GLY A 27 -5.880 -7.123 -12.278 1.00 0.00 C ATOM 380 O GLY A 27 -5.791 -7.951 -11.372 1.00 0.00 O ATOM 0 H GLY A 27 -6.796 -9.511 -14.154 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.195 -7.931 -14.157 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.455 -6.723 -14.318 1.00 0.00 H new ATOM 384 N ALA A 28 -5.777 -5.813 -12.111 1.00 0.00 N ATOM 385 CA ALA A 28 -5.542 -5.243 -10.795 1.00 0.00 C ATOM 386 C ALA A 28 -6.119 -3.827 -10.747 1.00 0.00 C ATOM 387 O ALA A 28 -6.166 -3.137 -11.765 1.00 0.00 O ATOM 388 CB ALA A 28 -4.044 -5.273 -10.485 1.00 0.00 C ATOM 0 H ALA A 28 -5.852 -5.130 -12.865 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.045 -5.830 -10.027 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.868 -4.845 -9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.689 -6.304 -10.502 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.506 -4.691 -11.233 1.00 0.00 H new ATOM 394 N VAL A 29 -6.545 -3.435 -9.555 1.00 0.00 N ATOM 395 CA VAL A 29 -7.117 -2.114 -9.362 1.00 0.00 C ATOM 396 C VAL A 29 -6.118 -1.236 -8.604 1.00 0.00 C ATOM 397 O VAL A 29 -5.394 -1.721 -7.736 1.00 0.00 O ATOM 398 CB VAL A 29 -8.469 -2.227 -8.655 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.928 -0.866 -8.127 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.522 -2.840 -9.580 1.00 0.00 C ATOM 0 H VAL A 29 -6.505 -4.010 -8.713 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.307 -1.636 -10.323 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.345 -2.893 -7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.891 -0.975 -7.629 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.194 -0.485 -7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.026 -0.168 -8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.474 -2.909 -9.053 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.641 -2.212 -10.463 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.203 -3.837 -9.885 1.00 0.00 H new ATOM 410 N ASP A 30 -6.111 0.040 -8.960 1.00 0.00 N ATOM 411 CA ASP A 30 -5.213 0.989 -8.325 1.00 0.00 C ATOM 412 C ASP A 30 -6.009 1.869 -7.359 1.00 0.00 C ATOM 413 O ASP A 30 -6.930 2.573 -7.770 1.00 0.00 O ATOM 414 CB ASP A 30 -4.554 1.902 -9.361 1.00 0.00 C ATOM 415 CG ASP A 30 -5.392 3.108 -9.788 1.00 0.00 C ATOM 416 OD1 ASP A 30 -6.393 2.879 -10.502 1.00 0.00 O ATOM 417 OD2 ASP A 30 -5.014 4.231 -9.391 1.00 0.00 O ATOM 0 H ASP A 30 -6.713 0.439 -9.680 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.443 0.425 -7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.608 2.261 -8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.318 1.311 -10.246 1.00 0.00 H new ATOM 422 N TRP A 31 -5.625 1.801 -6.093 1.00 0.00 N ATOM 423 CA TRP A 31 -6.291 2.582 -5.065 1.00 0.00 C ATOM 424 C TRP A 31 -5.521 3.894 -4.896 1.00 0.00 C ATOM 425 O TRP A 31 -4.459 3.919 -4.276 1.00 0.00 O ATOM 426 CB TRP A 31 -6.411 1.787 -3.763 1.00 0.00 C ATOM 427 CG TRP A 31 -6.784 2.637 -2.547 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.567 3.725 -2.509 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.356 2.425 -1.185 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.674 4.226 -1.228 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.914 3.410 -0.398 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.524 1.432 -0.638 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.702 3.500 0.983 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.322 1.535 0.744 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.877 2.522 1.551 1.00 0.00 C ATOM 0 H TRP A 31 -4.860 1.216 -5.756 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.315 2.814 -5.359 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.162 1.008 -3.893 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.463 1.286 -3.566 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.053 4.155 -3.373 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.212 5.044 -0.943 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.076 0.652 -1.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.151 4.282 1.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.691 0.796 1.216 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.672 2.534 2.611 1.00 0.00 H new ATOM 446 N THR A 32 -6.087 4.952 -5.458 1.00 0.00 N ATOM 447 CA THR A 32 -5.468 6.264 -5.377 1.00 0.00 C ATOM 448 C THR A 32 -5.335 6.701 -3.917 1.00 0.00 C ATOM 449 O THR A 32 -6.301 7.165 -3.314 1.00 0.00 O ATOM 450 CB THR A 32 -6.294 7.230 -6.228 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.874 8.521 -5.794 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.784 7.187 -5.883 1.00 0.00 C ATOM 0 H THR A 32 -6.968 4.927 -5.971 1.00 0.00 H new ATOM 0 HA THR A 32 -4.452 6.248 -5.772 1.00 0.00 H new ATOM 0 HB THR A 32 -6.159 6.991 -7.283 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.426 8.807 -5.036 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.324 7.891 -6.516 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.167 6.180 -6.051 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.923 7.459 -4.837 1.00 0.00 H new ATOM 460 N VAL A 33 -4.130 6.538 -3.391 1.00 0.00 N ATOM 461 CA VAL A 33 -3.858 6.910 -2.013 1.00 0.00 C ATOM 462 C VAL A 33 -3.034 8.199 -1.991 1.00 0.00 C ATOM 463 O VAL A 33 -1.988 8.282 -2.632 1.00 0.00 O ATOM 464 CB VAL A 33 -3.175 5.752 -1.283 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.926 6.100 0.186 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.993 4.465 -1.410 1.00 0.00 C ATOM 0 H VAL A 33 -3.331 6.153 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.788 7.109 -1.480 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.208 5.583 -1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.440 5.260 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.284 6.979 0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.877 6.310 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.485 3.658 -0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.981 4.617 -0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.096 4.202 -2.463 1.00 0.00 H new ATOM 476 N HIS A 34 -3.538 9.172 -1.246 1.00 0.00 N ATOM 477 CA HIS A 34 -2.861 10.454 -1.132 1.00 0.00 C ATOM 478 C HIS A 34 -2.071 10.502 0.177 1.00 0.00 C ATOM 479 O HIS A 34 -1.010 11.120 0.244 1.00 0.00 O ATOM 480 CB HIS A 34 -3.857 11.607 -1.267 1.00 0.00 C ATOM 481 CG HIS A 34 -4.671 11.571 -2.538 1.00 0.00 C ATOM 482 ND1 HIS A 34 -4.732 12.635 -3.420 1.00 0.00 N ATOM 483 CD2 HIS A 34 -5.456 10.588 -3.066 1.00 0.00 C ATOM 484 CE1 HIS A 34 -5.521 12.297 -4.429 1.00 0.00 C ATOM 485 NE2 HIS A 34 -5.969 11.028 -4.208 1.00 0.00 N ATOM 0 H HIS A 34 -4.406 9.099 -0.716 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.149 10.568 -1.949 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.535 11.590 -0.413 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.313 12.550 -1.223 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.251 13.528 -3.312 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.630 9.616 -2.629 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.767 12.918 -5.278 1.00 0.00 H new ATOM 493 N SER A 35 -2.620 9.842 1.187 1.00 0.00 N ATOM 494 CA SER A 35 -1.980 9.802 2.491 1.00 0.00 C ATOM 495 C SER A 35 -1.057 8.585 2.583 1.00 0.00 C ATOM 496 O SER A 35 -1.138 7.811 3.535 1.00 0.00 O ATOM 497 CB SER A 35 -3.019 9.766 3.613 1.00 0.00 C ATOM 498 OG SER A 35 -3.284 11.065 4.136 1.00 0.00 O ATOM 0 H SER A 35 -3.501 9.331 1.128 1.00 0.00 H new ATOM 0 HA SER A 35 -1.388 10.709 2.610 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.945 9.331 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.665 9.118 4.414 1.00 0.00 H new ATOM 0 HG SER A 35 -3.754 11.599 3.462 1.00 0.00 H new ATOM 504 N GLY A 36 -0.199 8.455 1.581 1.00 0.00 N ATOM 505 CA GLY A 36 0.738 7.346 1.538 1.00 0.00 C ATOM 506 C GLY A 36 1.321 7.066 2.924 1.00 0.00 C ATOM 507 O GLY A 36 1.300 5.929 3.393 1.00 0.00 O ATOM 0 H GLY A 36 -0.134 9.100 0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.234 6.454 1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.544 7.573 0.840 1.00 0.00 H new ATOM 511 N PRO A 37 1.841 8.151 3.559 1.00 0.00 N ATOM 512 CA PRO A 37 2.429 8.034 4.882 1.00 0.00 C ATOM 513 C PRO A 37 1.346 7.884 5.952 1.00 0.00 C ATOM 514 O PRO A 37 1.450 7.030 6.831 1.00 0.00 O ATOM 515 CB PRO A 37 3.265 9.292 5.055 1.00 0.00 C ATOM 516 CG PRO A 37 2.748 10.280 4.022 1.00 0.00 C ATOM 517 CD PRO A 37 1.883 9.513 3.035 1.00 0.00 C ATOM 0 HA PRO A 37 3.048 7.143 4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.164 9.693 6.064 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.323 9.082 4.900 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.170 11.068 4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.578 10.763 3.507 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.883 9.942 2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.309 9.538 2.032 1.00 0.00 H new ATOM 525 N GLN A 38 0.331 8.729 5.843 1.00 0.00 N ATOM 526 CA GLN A 38 -0.771 8.702 6.790 1.00 0.00 C ATOM 527 C GLN A 38 -1.764 7.599 6.417 1.00 0.00 C ATOM 528 O GLN A 38 -2.960 7.854 6.288 1.00 0.00 O ATOM 529 CB GLN A 38 -1.465 10.063 6.863 1.00 0.00 C ATOM 530 CG GLN A 38 -2.229 10.219 8.179 1.00 0.00 C ATOM 531 CD GLN A 38 -2.862 11.608 8.285 1.00 0.00 C ATOM 532 OE1 GLN A 38 -3.078 12.296 7.300 1.00 0.00 O ATOM 533 NE2 GLN A 38 -3.145 11.981 9.529 1.00 0.00 N ATOM 0 H GLN A 38 0.249 9.437 5.113 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.369 8.483 7.779 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.725 10.858 6.772 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.153 10.170 6.024 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.005 9.456 8.246 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.552 10.059 9.018 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.938 11.356 10.308 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.569 12.892 9.704 1.00 0.00 H new ATOM 542 N LEU A 39 -1.231 6.397 6.255 1.00 0.00 N ATOM 543 CA LEU A 39 -2.056 5.254 5.900 1.00 0.00 C ATOM 544 C LEU A 39 -1.964 4.202 7.006 1.00 0.00 C ATOM 545 O LEU A 39 -0.895 3.984 7.574 1.00 0.00 O ATOM 546 CB LEU A 39 -1.673 4.727 4.516 1.00 0.00 C ATOM 547 CG LEU A 39 -2.563 3.619 3.950 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.964 4.148 3.635 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.912 2.960 2.732 1.00 0.00 C ATOM 0 H LEU A 39 -0.238 6.189 6.363 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.103 5.548 5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.679 5.563 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.649 4.356 4.561 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.674 2.848 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.576 3.340 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.422 4.532 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.893 4.949 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.566 2.176 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.751 3.708 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.955 2.525 3.021 1.00 0.00 H new ATOM 561 N LEU A 40 -3.100 3.576 7.279 1.00 0.00 N ATOM 562 CA LEU A 40 -3.162 2.551 8.307 1.00 0.00 C ATOM 563 C LEU A 40 -3.487 1.204 7.659 1.00 0.00 C ATOM 564 O LEU A 40 -3.946 1.154 6.519 1.00 0.00 O ATOM 565 CB LEU A 40 -4.143 2.956 9.409 1.00 0.00 C ATOM 566 CG LEU A 40 -3.764 4.196 10.222 1.00 0.00 C ATOM 567 CD1 LEU A 40 -4.957 4.707 11.032 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.546 3.920 11.107 1.00 0.00 C ATOM 0 H LEU A 40 -3.985 3.759 6.806 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.194 2.444 8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.119 3.128 8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.255 2.116 10.095 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.485 4.988 9.527 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.660 5.588 11.600 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.771 4.968 10.356 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.291 3.929 11.718 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.298 4.817 11.674 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.774 3.107 11.796 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.698 3.639 10.482 1.00 0.00 H new ATOM 580 N PHE A 41 -3.237 0.144 8.414 1.00 0.00 N ATOM 581 CA PHE A 41 -3.497 -1.200 7.928 1.00 0.00 C ATOM 582 C PHE A 41 -4.984 -1.394 7.624 1.00 0.00 C ATOM 583 O PHE A 41 -5.345 -1.846 6.538 1.00 0.00 O ATOM 584 CB PHE A 41 -3.086 -2.166 9.041 1.00 0.00 C ATOM 585 CG PHE A 41 -3.240 -3.642 8.672 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.576 -4.148 7.598 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.041 -4.450 9.417 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.720 -5.518 7.255 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.185 -5.820 9.075 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.521 -6.326 8.001 1.00 0.00 C ATOM 0 H PHE A 41 -2.857 0.189 9.359 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.939 -1.378 7.009 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.047 -1.975 9.308 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.686 -1.959 9.927 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.939 -3.507 7.006 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.568 -4.049 10.270 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.194 -5.919 6.402 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.822 -6.461 9.667 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.630 -7.369 7.741 1.00 0.00 H new ATOM 600 N ARG A 42 -5.806 -1.043 8.602 1.00 0.00 N ATOM 601 CA ARG A 42 -7.246 -1.173 8.452 1.00 0.00 C ATOM 602 C ARG A 42 -7.711 -0.482 7.169 1.00 0.00 C ATOM 603 O ARG A 42 -8.451 -1.066 6.378 1.00 0.00 O ATOM 604 CB ARG A 42 -7.981 -0.563 9.647 1.00 0.00 C ATOM 605 CG ARG A 42 -7.548 -1.227 10.955 1.00 0.00 C ATOM 606 CD ARG A 42 -7.864 -2.725 10.940 1.00 0.00 C ATOM 607 NE ARG A 42 -8.215 -3.182 12.303 1.00 0.00 N ATOM 608 CZ ARG A 42 -8.714 -4.393 12.583 1.00 0.00 C ATOM 609 NH1 ARG A 42 -8.923 -5.277 11.598 1.00 0.00 N ATOM 610 NH2 ARG A 42 -9.004 -4.722 13.850 1.00 0.00 N ATOM 0 H ARG A 42 -5.503 -0.669 9.501 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.479 -2.236 8.400 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.780 0.507 9.694 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.057 -0.679 9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.479 -1.079 11.106 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.057 -0.753 11.794 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.690 -2.924 10.257 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.003 -3.283 10.571 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.068 -2.535 13.077 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.702 -5.028 10.634 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.303 -6.199 11.812 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.845 -4.050 14.601 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.384 -5.644 14.063 1.00 0.00 H new ATOM 624 N ASP A 43 -7.257 0.751 7.001 1.00 0.00 N ATOM 625 CA ASP A 43 -7.618 1.528 5.827 1.00 0.00 C ATOM 626 C ASP A 43 -7.539 0.636 4.586 1.00 0.00 C ATOM 627 O ASP A 43 -8.474 0.592 3.788 1.00 0.00 O ATOM 628 CB ASP A 43 -6.657 2.702 5.626 1.00 0.00 C ATOM 629 CG ASP A 43 -7.063 3.997 6.331 1.00 0.00 C ATOM 630 OD1 ASP A 43 -7.618 3.888 7.446 1.00 0.00 O ATOM 631 OD2 ASP A 43 -6.809 5.069 5.739 1.00 0.00 O ATOM 0 H ASP A 43 -6.642 1.231 7.658 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.628 1.910 5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.669 2.408 5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.567 2.900 4.558 1.00 0.00 H new ATOM 636 N VAL A 44 -6.414 -0.054 4.463 1.00 0.00 N ATOM 637 CA VAL A 44 -6.202 -0.943 3.334 1.00 0.00 C ATOM 638 C VAL A 44 -7.339 -1.964 3.272 1.00 0.00 C ATOM 639 O VAL A 44 -7.957 -2.148 2.224 1.00 0.00 O ATOM 640 CB VAL A 44 -4.820 -1.593 3.432 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.593 -2.576 2.282 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.717 -0.533 3.472 1.00 0.00 C ATOM 0 H VAL A 44 -5.640 -0.015 5.127 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.218 -0.382 2.399 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.780 -2.154 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.604 -3.024 2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.350 -3.359 2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.663 -2.047 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.745 -1.022 3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.757 0.068 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.862 0.111 4.339 1.00 0.00 H new ATOM 652 N LEU A 45 -7.582 -2.601 4.408 1.00 0.00 N ATOM 653 CA LEU A 45 -8.635 -3.598 4.497 1.00 0.00 C ATOM 654 C LEU A 45 -9.987 -2.932 4.231 1.00 0.00 C ATOM 655 O LEU A 45 -10.898 -3.561 3.695 1.00 0.00 O ATOM 656 CB LEU A 45 -8.565 -4.334 5.836 1.00 0.00 C ATOM 657 CG LEU A 45 -7.334 -5.218 6.052 1.00 0.00 C ATOM 658 CD1 LEU A 45 -6.860 -5.829 4.732 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.220 -4.443 6.758 1.00 0.00 C ATOM 0 H LEU A 45 -7.067 -2.446 5.275 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.500 -4.363 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.602 -3.595 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.455 -4.955 5.934 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.616 -6.043 6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.984 -6.452 4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.657 -6.438 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.600 -5.032 4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.357 -5.094 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.932 -3.585 6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.576 -4.097 7.728 1.00 0.00 H new ATOM 671 N ASP A 46 -10.074 -1.668 4.620 1.00 0.00 N ATOM 672 CA ASP A 46 -11.299 -0.910 4.430 1.00 0.00 C ATOM 673 C ASP A 46 -11.515 -0.663 2.936 1.00 0.00 C ATOM 674 O ASP A 46 -12.652 -0.567 2.477 1.00 0.00 O ATOM 675 CB ASP A 46 -11.218 0.449 5.128 1.00 0.00 C ATOM 676 CG ASP A 46 -11.800 0.486 6.542 1.00 0.00 C ATOM 677 OD1 ASP A 46 -13.042 0.387 6.648 1.00 0.00 O ATOM 678 OD2 ASP A 46 -10.990 0.612 7.486 1.00 0.00 O ATOM 0 H ASP A 46 -9.316 -1.150 5.066 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.122 -1.485 4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.173 0.755 5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.740 1.186 4.517 1.00 0.00 H new ATOM 683 N VAL A 47 -10.405 -0.566 2.218 1.00 0.00 N ATOM 684 CA VAL A 47 -10.459 -0.331 0.785 1.00 0.00 C ATOM 685 C VAL A 47 -10.648 -1.666 0.061 1.00 0.00 C ATOM 686 O VAL A 47 -11.622 -1.849 -0.667 1.00 0.00 O ATOM 687 CB VAL A 47 -9.208 0.423 0.331 1.00 0.00 C ATOM 688 CG1 VAL A 47 -9.182 0.576 -1.191 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.108 1.785 1.021 1.00 0.00 C ATOM 0 H VAL A 47 -9.463 -0.646 2.602 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.312 0.300 0.533 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.338 -0.165 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.282 1.116 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.183 -0.410 -1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.062 1.132 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.210 2.300 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.985 2.383 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.058 1.643 2.101 1.00 0.00 H new ATOM 699 N ILE A 48 -9.700 -2.564 0.287 1.00 0.00 N ATOM 700 CA ILE A 48 -9.750 -3.876 -0.335 1.00 0.00 C ATOM 701 C ILE A 48 -11.173 -4.428 -0.238 1.00 0.00 C ATOM 702 O ILE A 48 -11.686 -5.005 -1.196 1.00 0.00 O ATOM 703 CB ILE A 48 -8.690 -4.798 0.273 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.283 -4.359 -0.135 1.00 0.00 C ATOM 705 CG2 ILE A 48 -8.962 -6.259 -0.089 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.221 -5.255 0.507 1.00 0.00 C ATOM 0 H ILE A 48 -8.893 -2.409 0.892 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.507 -3.804 -1.395 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.750 -4.719 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.187 -4.396 -1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.120 -3.324 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.195 -6.893 0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.940 -6.552 0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -8.945 -6.374 -1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.230 -4.921 0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.304 -5.197 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.372 -6.286 0.186 1.00 0.00 H new ATOM 718 N GLY A 49 -11.772 -4.232 0.928 1.00 0.00 N ATOM 719 CA GLY A 49 -13.126 -4.703 1.162 1.00 0.00 C ATOM 720 C GLY A 49 -14.054 -4.299 0.014 1.00 0.00 C ATOM 721 O GLY A 49 -15.023 -4.997 -0.280 1.00 0.00 O ATOM 0 H GLY A 49 -11.344 -3.753 1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.124 -5.788 1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.501 -4.292 2.099 1.00 0.00 H new ATOM 725 N GLN A 50 -13.724 -3.174 -0.603 1.00 0.00 N ATOM 726 CA GLN A 50 -14.515 -2.669 -1.712 1.00 0.00 C ATOM 727 C GLN A 50 -14.063 -3.314 -3.023 1.00 0.00 C ATOM 728 O GLN A 50 -14.838 -3.402 -3.975 1.00 0.00 O ATOM 729 CB GLN A 50 -14.432 -1.143 -1.794 1.00 0.00 C ATOM 730 CG GLN A 50 -14.781 -0.502 -0.449 1.00 0.00 C ATOM 731 CD GLN A 50 -15.874 0.556 -0.613 1.00 0.00 C ATOM 732 OE1 GLN A 50 -17.000 0.270 -0.984 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.479 1.792 -0.317 1.00 0.00 N ATOM 0 H GLN A 50 -12.919 -2.598 -0.356 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.558 -2.935 -1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.427 -0.845 -2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.114 -0.779 -2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.115 -1.270 0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.890 -0.046 -0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.521 1.962 -0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -16.135 2.569 -0.395 1.00 0.00 H new ATOM 742 N VAL A 51 -12.811 -3.748 -3.032 1.00 0.00 N ATOM 743 CA VAL A 51 -12.247 -4.382 -4.211 1.00 0.00 C ATOM 744 C VAL A 51 -12.685 -5.848 -4.256 1.00 0.00 C ATOM 745 O VAL A 51 -13.177 -6.321 -5.279 1.00 0.00 O ATOM 746 CB VAL A 51 -10.727 -4.212 -4.220 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.111 -4.848 -5.469 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.339 -2.736 -4.108 1.00 0.00 C ATOM 0 H VAL A 51 -12.171 -3.673 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.620 -3.904 -5.117 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.327 -4.730 -3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.030 -4.713 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.343 -5.913 -5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.521 -4.372 -6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.253 -2.644 -4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.757 -2.185 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.730 -2.327 -3.177 1.00 0.00 H new ATOM 758 N LEU A 52 -12.491 -6.525 -3.133 1.00 0.00 N ATOM 759 CA LEU A 52 -12.860 -7.926 -3.031 1.00 0.00 C ATOM 760 C LEU A 52 -13.884 -8.099 -1.908 1.00 0.00 C ATOM 761 O LEU A 52 -13.542 -8.550 -0.816 1.00 0.00 O ATOM 762 CB LEU A 52 -11.613 -8.798 -2.866 1.00 0.00 C ATOM 763 CG LEU A 52 -10.844 -9.118 -4.150 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.068 -7.896 -4.644 1.00 0.00 C ATOM 765 CD2 LEU A 52 -9.936 -10.334 -3.955 1.00 0.00 C ATOM 0 H LEU A 52 -12.083 -6.129 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.336 -8.262 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.934 -8.299 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.910 -9.738 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.565 -9.375 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.531 -8.151 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.763 -7.081 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.356 -7.584 -3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.401 -10.541 -4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.219 -10.129 -3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.540 -11.200 -3.684 1.00 0.00 H new ATOM 777 N PRO A 53 -15.152 -7.722 -2.223 1.00 0.00 N ATOM 778 CA PRO A 53 -16.228 -7.831 -1.253 1.00 0.00 C ATOM 779 C PRO A 53 -16.667 -9.287 -1.082 1.00 0.00 C ATOM 780 O PRO A 53 -17.261 -9.644 -0.066 1.00 0.00 O ATOM 781 CB PRO A 53 -17.334 -6.937 -1.790 1.00 0.00 C ATOM 782 CG PRO A 53 -17.022 -6.728 -3.264 1.00 0.00 C ATOM 783 CD PRO A 53 -15.593 -7.184 -3.507 1.00 0.00 C ATOM 0 HA PRO A 53 -15.927 -7.514 -0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.311 -7.403 -1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.361 -5.986 -1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.715 -7.296 -3.885 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.139 -5.678 -3.534 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.547 -7.941 -4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.962 -6.355 -3.827 1.00 0.00 H new ATOM 791 N GLU A 54 -16.356 -10.088 -2.091 1.00 0.00 N ATOM 792 CA GLU A 54 -16.711 -11.496 -2.065 1.00 0.00 C ATOM 793 C GLU A 54 -15.494 -12.343 -1.685 1.00 0.00 C ATOM 794 O GLU A 54 -15.557 -13.571 -1.706 1.00 0.00 O ATOM 795 CB GLU A 54 -17.291 -11.941 -3.409 1.00 0.00 C ATOM 796 CG GLU A 54 -17.698 -10.734 -4.256 1.00 0.00 C ATOM 797 CD GLU A 54 -18.731 -11.130 -5.313 1.00 0.00 C ATOM 798 OE1 GLU A 54 -19.870 -11.442 -4.904 1.00 0.00 O ATOM 799 OE2 GLU A 54 -18.358 -11.112 -6.506 1.00 0.00 O ATOM 0 H GLU A 54 -15.862 -9.788 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 54 -17.482 -11.642 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -16.554 -12.536 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -18.157 -12.581 -3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -18.110 -9.956 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -16.818 -10.313 -4.742 1.00 0.00 H new ATOM 806 N ALA A 55 -14.415 -11.653 -1.348 1.00 0.00 N ATOM 807 CA ALA A 55 -13.185 -12.326 -0.965 1.00 0.00 C ATOM 808 C ALA A 55 -12.487 -11.519 0.132 1.00 0.00 C ATOM 809 O ALA A 55 -11.918 -10.462 -0.137 1.00 0.00 O ATOM 810 CB ALA A 55 -12.302 -12.517 -2.199 1.00 0.00 C ATOM 0 H ALA A 55 -14.366 -10.634 -1.332 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.399 -13.315 -0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.380 -13.022 -1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.832 -13.121 -2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.064 -11.545 -2.630 1.00 0.00 H new ATOM 816 N THR A 56 -12.555 -12.047 1.345 1.00 0.00 N ATOM 817 CA THR A 56 -11.937 -11.389 2.483 1.00 0.00 C ATOM 818 C THR A 56 -10.458 -11.116 2.203 1.00 0.00 C ATOM 819 O THR A 56 -9.924 -11.552 1.184 1.00 0.00 O ATOM 820 CB THR A 56 -12.170 -12.262 3.718 1.00 0.00 C ATOM 821 OG1 THR A 56 -13.588 -12.296 3.856 1.00 0.00 O ATOM 822 CG2 THR A 56 -11.685 -11.595 5.007 1.00 0.00 C ATOM 0 H THR A 56 -13.029 -12.923 1.564 1.00 0.00 H new ATOM 0 HA THR A 56 -12.386 -10.413 2.667 1.00 0.00 H new ATOM 0 HB THR A 56 -11.659 -13.216 3.590 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.826 -12.235 4.805 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.874 -12.257 5.852 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.616 -11.396 4.934 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.219 -10.656 5.154 1.00 0.00 H new ATOM 830 N THR A 57 -9.837 -10.396 3.125 1.00 0.00 N ATOM 831 CA THR A 57 -8.430 -10.059 2.990 1.00 0.00 C ATOM 832 C THR A 57 -7.757 -10.019 4.364 1.00 0.00 C ATOM 833 O THR A 57 -7.002 -10.925 4.716 1.00 0.00 O ATOM 834 CB THR A 57 -8.331 -8.737 2.227 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.819 -9.051 0.925 1.00 0.00 O ATOM 836 CG2 THR A 57 -6.883 -8.305 1.988 1.00 0.00 C ATOM 0 H THR A 57 -10.282 -10.036 3.969 1.00 0.00 H new ATOM 0 HA THR A 57 -7.894 -10.820 2.422 1.00 0.00 H new ATOM 0 HB THR A 57 -8.855 -7.958 2.781 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.751 -8.757 0.845 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.870 -7.361 1.443 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.378 -8.178 2.946 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.367 -9.068 1.405 1.00 0.00 H new ATOM 844 N THR A 58 -8.054 -8.960 5.102 1.00 0.00 N ATOM 845 CA THR A 58 -7.487 -8.790 6.429 1.00 0.00 C ATOM 846 C THR A 58 -6.023 -8.356 6.332 1.00 0.00 C ATOM 847 O THR A 58 -5.639 -7.327 6.887 1.00 0.00 O ATOM 848 CB THR A 58 -7.683 -10.098 7.198 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.027 -10.473 6.908 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.673 -9.893 8.714 1.00 0.00 C ATOM 0 H THR A 58 -8.680 -8.211 4.806 1.00 0.00 H new ATOM 0 HA THR A 58 -7.993 -7.995 6.976 1.00 0.00 H new ATOM 0 HB THR A 58 -6.898 -10.802 6.922 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.238 -11.313 7.366 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.816 -10.852 9.212 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.717 -9.466 9.017 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.479 -9.215 8.995 1.00 0.00 H new ATOM 858 N ALA A 59 -5.246 -9.161 5.623 1.00 0.00 N ATOM 859 CA ALA A 59 -3.833 -8.873 5.446 1.00 0.00 C ATOM 860 C ALA A 59 -3.487 -8.935 3.957 1.00 0.00 C ATOM 861 O ALA A 59 -4.297 -9.380 3.146 1.00 0.00 O ATOM 862 CB ALA A 59 -3.004 -9.853 6.278 1.00 0.00 C ATOM 0 H ALA A 59 -5.568 -10.013 5.164 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.599 -7.868 5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.944 -9.637 6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.266 -9.749 7.331 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.210 -10.872 5.952 1.00 0.00 H new ATOM 868 N PHE A 60 -2.282 -8.482 3.643 1.00 0.00 N ATOM 869 CA PHE A 60 -1.819 -8.480 2.266 1.00 0.00 C ATOM 870 C PHE A 60 -0.298 -8.632 2.199 1.00 0.00 C ATOM 871 O PHE A 60 0.392 -8.460 3.203 1.00 0.00 O ATOM 872 CB PHE A 60 -2.211 -7.129 1.664 1.00 0.00 C ATOM 873 CG PHE A 60 -1.959 -5.938 2.590 1.00 0.00 C ATOM 874 CD1 PHE A 60 -2.872 -5.614 3.545 1.00 0.00 C ATOM 875 CD2 PHE A 60 -0.822 -5.203 2.459 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.638 -4.508 4.405 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.588 -4.097 3.319 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.501 -3.773 4.274 1.00 0.00 C ATOM 0 H PHE A 60 -1.612 -8.114 4.319 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.265 -9.313 1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.655 -6.980 0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.268 -7.154 1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.775 -6.198 3.649 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.097 -5.460 1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.363 -4.251 5.163 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.315 -3.513 3.215 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.323 -2.932 4.928 1.00 0.00 H new ATOM 888 N GLU A 61 0.181 -8.953 1.006 1.00 0.00 N ATOM 889 CA GLU A 61 1.607 -9.130 0.795 1.00 0.00 C ATOM 890 C GLU A 61 2.117 -8.134 -0.249 1.00 0.00 C ATOM 891 O GLU A 61 1.347 -7.644 -1.073 1.00 0.00 O ATOM 892 CB GLU A 61 1.926 -10.568 0.381 1.00 0.00 C ATOM 893 CG GLU A 61 1.598 -11.548 1.510 1.00 0.00 C ATOM 894 CD GLU A 61 2.412 -12.837 1.371 1.00 0.00 C ATOM 895 OE1 GLU A 61 3.652 -12.742 1.497 1.00 0.00 O ATOM 896 OE2 GLU A 61 1.775 -13.888 1.141 1.00 0.00 O ATOM 0 H GLU A 61 -0.394 -9.095 0.175 1.00 0.00 H new ATOM 0 HA GLU A 61 2.120 -8.935 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.355 -10.829 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.981 -10.649 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.809 -11.083 2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.534 -11.782 1.495 1.00 0.00 H new ATOM 903 N TYR A 62 3.413 -7.865 -0.180 1.00 0.00 N ATOM 904 CA TYR A 62 4.035 -6.936 -1.108 1.00 0.00 C ATOM 905 C TYR A 62 5.492 -7.320 -1.374 1.00 0.00 C ATOM 906 O TYR A 62 6.271 -7.498 -0.439 1.00 0.00 O ATOM 907 CB TYR A 62 3.996 -5.568 -0.426 1.00 0.00 C ATOM 908 CG TYR A 62 5.212 -5.278 0.457 1.00 0.00 C ATOM 909 CD1 TYR A 62 6.408 -4.899 -0.119 1.00 0.00 C ATOM 910 CD2 TYR A 62 5.113 -5.396 1.828 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.552 -4.627 0.712 1.00 0.00 C ATOM 912 CE2 TYR A 62 6.257 -5.124 2.659 1.00 0.00 C ATOM 913 CZ TYR A 62 7.421 -4.753 2.060 1.00 0.00 C ATOM 914 OH TYR A 62 8.501 -4.496 2.844 1.00 0.00 O ATOM 0 H TYR A 62 4.049 -8.274 0.504 1.00 0.00 H new ATOM 0 HA TYR A 62 3.512 -6.941 -2.064 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.922 -4.794 -1.190 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.094 -5.502 0.182 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.486 -4.807 -1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.177 -5.692 2.278 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.494 -4.329 0.275 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.193 -5.212 3.733 1.00 0.00 H new ATOM 0 HH TYR A 62 9.322 -4.679 2.341 1.00 0.00 H new ATOM 924 N GLU A 63 5.816 -7.436 -2.654 1.00 0.00 N ATOM 925 CA GLU A 63 7.166 -7.795 -3.054 1.00 0.00 C ATOM 926 C GLU A 63 8.167 -6.762 -2.531 1.00 0.00 C ATOM 927 O GLU A 63 7.942 -5.559 -2.650 1.00 0.00 O ATOM 928 CB GLU A 63 7.267 -7.936 -4.574 1.00 0.00 C ATOM 929 CG GLU A 63 7.100 -9.396 -5.001 1.00 0.00 C ATOM 930 CD GLU A 63 6.674 -9.493 -6.468 1.00 0.00 C ATOM 931 OE1 GLU A 63 5.490 -9.195 -6.735 1.00 0.00 O ATOM 932 OE2 GLU A 63 7.542 -9.862 -7.288 1.00 0.00 O ATOM 0 H GLU A 63 5.167 -7.288 -3.427 1.00 0.00 H new ATOM 0 HA GLU A 63 7.410 -8.762 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.502 -7.324 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.233 -7.562 -4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.038 -9.931 -4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.355 -9.880 -4.370 1.00 0.00 H new ATOM 939 N ASP A 64 9.251 -7.271 -1.964 1.00 0.00 N ATOM 940 CA ASP A 64 10.287 -6.408 -1.423 1.00 0.00 C ATOM 941 C ASP A 64 11.415 -6.269 -2.447 1.00 0.00 C ATOM 942 O ASP A 64 11.183 -6.381 -3.650 1.00 0.00 O ATOM 943 CB ASP A 64 10.882 -6.998 -0.143 1.00 0.00 C ATOM 944 CG ASP A 64 11.341 -5.968 0.891 1.00 0.00 C ATOM 945 OD1 ASP A 64 10.545 -5.045 1.166 1.00 0.00 O ATOM 946 OD2 ASP A 64 12.479 -6.127 1.383 1.00 0.00 O ATOM 0 H ASP A 64 9.434 -8.270 -1.868 1.00 0.00 H new ATOM 0 HA ASP A 64 9.837 -5.441 -1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.139 -7.648 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.732 -7.625 -0.411 1.00 0.00 H new ATOM 951 N GLU A 65 12.612 -6.026 -1.933 1.00 0.00 N ATOM 952 CA GLU A 65 13.776 -5.870 -2.788 1.00 0.00 C ATOM 953 C GLU A 65 14.158 -7.213 -3.415 1.00 0.00 C ATOM 954 O GLU A 65 14.549 -7.269 -4.580 1.00 0.00 O ATOM 955 CB GLU A 65 14.951 -5.274 -2.011 1.00 0.00 C ATOM 956 CG GLU A 65 15.428 -6.232 -0.918 1.00 0.00 C ATOM 957 CD GLU A 65 16.676 -5.688 -0.219 1.00 0.00 C ATOM 958 OE1 GLU A 65 16.563 -4.594 0.375 1.00 0.00 O ATOM 959 OE2 GLU A 65 17.715 -6.379 -0.294 1.00 0.00 O ATOM 0 H GLU A 65 12.801 -5.933 -0.935 1.00 0.00 H new ATOM 0 HA GLU A 65 13.523 -5.176 -3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.772 -5.059 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.652 -4.326 -1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.633 -6.381 -0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.647 -7.207 -1.354 1.00 0.00 H new ATOM 966 N ASP A 66 14.031 -8.261 -2.614 1.00 0.00 N ATOM 967 CA ASP A 66 14.358 -9.599 -3.076 1.00 0.00 C ATOM 968 C ASP A 66 13.081 -10.298 -3.547 1.00 0.00 C ATOM 969 O ASP A 66 13.040 -11.523 -3.644 1.00 0.00 O ATOM 970 CB ASP A 66 14.968 -10.436 -1.950 1.00 0.00 C ATOM 971 CG ASP A 66 16.451 -10.770 -2.122 1.00 0.00 C ATOM 972 OD1 ASP A 66 17.134 -9.980 -2.808 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.867 -11.808 -1.564 1.00 0.00 O ATOM 0 H ASP A 66 13.706 -8.210 -1.648 1.00 0.00 H new ATOM 0 HA ASP A 66 15.078 -9.509 -3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.838 -9.901 -1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.409 -11.368 -1.867 1.00 0.00 H new ATOM 978 N GLY A 67 12.070 -9.488 -3.826 1.00 0.00 N ATOM 979 CA GLY A 67 10.795 -10.013 -4.284 1.00 0.00 C ATOM 980 C GLY A 67 10.458 -11.328 -3.578 1.00 0.00 C ATOM 981 O GLY A 67 10.240 -12.348 -4.229 1.00 0.00 O ATOM 0 H GLY A 67 12.108 -8.472 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.008 -9.283 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.830 -10.173 -5.362 1.00 0.00 H new ATOM 985 N ASP A 68 10.427 -11.261 -2.255 1.00 0.00 N ATOM 986 CA ASP A 68 10.120 -12.433 -1.453 1.00 0.00 C ATOM 987 C ASP A 68 8.671 -12.349 -0.969 1.00 0.00 C ATOM 988 O ASP A 68 8.209 -13.216 -0.229 1.00 0.00 O ATOM 989 CB ASP A 68 11.026 -12.511 -0.223 1.00 0.00 C ATOM 990 CG ASP A 68 11.179 -13.909 0.379 1.00 0.00 C ATOM 991 OD1 ASP A 68 10.718 -14.865 -0.281 1.00 0.00 O ATOM 992 OD2 ASP A 68 11.753 -13.990 1.487 1.00 0.00 O ATOM 0 H ASP A 68 10.610 -10.413 -1.718 1.00 0.00 H new ATOM 0 HA ASP A 68 10.276 -13.316 -2.072 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.014 -12.138 -0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.632 -11.843 0.543 1.00 0.00 H new ATOM 997 N ARG A 69 7.995 -11.296 -1.405 1.00 0.00 N ATOM 998 CA ARG A 69 6.608 -11.088 -1.025 1.00 0.00 C ATOM 999 C ARG A 69 6.470 -11.086 0.499 1.00 0.00 C ATOM 1000 O ARG A 69 6.447 -12.145 1.125 1.00 0.00 O ATOM 1001 CB ARG A 69 5.706 -12.176 -1.611 1.00 0.00 C ATOM 1002 CG ARG A 69 5.666 -12.092 -3.138 1.00 0.00 C ATOM 1003 CD ARG A 69 4.489 -11.234 -3.608 1.00 0.00 C ATOM 1004 NE ARG A 69 4.309 -11.379 -5.070 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.777 -12.459 -5.658 1.00 0.00 C ATOM 1006 NH1 ARG A 69 3.368 -13.495 -4.912 1.00 0.00 N ATOM 1007 NH2 ARG A 69 3.652 -12.503 -6.991 1.00 0.00 N ATOM 0 H ARG A 69 8.382 -10.578 -2.018 1.00 0.00 H new ATOM 0 HA ARG A 69 6.297 -10.122 -1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.070 -13.158 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.697 -12.072 -1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.600 -11.669 -3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.582 -13.094 -3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.579 -11.535 -3.090 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.667 -10.188 -3.357 1.00 0.00 H new ATOM 0 HE ARG A 69 4.609 -10.608 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.462 -13.461 -3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.963 -14.317 -5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.962 -11.714 -7.559 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.247 -13.325 -7.438 1.00 0.00 H new ATOM 1021 N ILE A 70 6.381 -9.886 1.052 1.00 0.00 N ATOM 1022 CA ILE A 70 6.246 -9.732 2.491 1.00 0.00 C ATOM 1023 C ILE A 70 4.776 -9.895 2.880 1.00 0.00 C ATOM 1024 O ILE A 70 3.914 -10.050 2.016 1.00 0.00 O ATOM 1025 CB ILE A 70 6.861 -8.408 2.949 1.00 0.00 C ATOM 1026 CG1 ILE A 70 8.128 -8.088 2.153 1.00 0.00 C ATOM 1027 CG2 ILE A 70 7.118 -8.416 4.457 1.00 0.00 C ATOM 1028 CD1 ILE A 70 9.139 -9.232 2.247 1.00 0.00 C ATOM 0 H ILE A 70 6.400 -9.010 0.530 1.00 0.00 H new ATOM 0 HA ILE A 70 6.803 -10.511 3.012 1.00 0.00 H new ATOM 0 HB ILE A 70 6.145 -7.611 2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.870 -7.911 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.577 -7.169 2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.555 -7.464 4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.177 -8.565 4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.806 -9.225 4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.030 -8.978 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.413 -9.391 3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.696 -10.143 1.846 1.00 0.00 H new ATOM 1040 N THR A 71 4.533 -9.854 4.182 1.00 0.00 N ATOM 1041 CA THR A 71 3.182 -9.995 4.697 1.00 0.00 C ATOM 1042 C THR A 71 2.891 -8.910 5.736 1.00 0.00 C ATOM 1043 O THR A 71 3.703 -8.665 6.628 1.00 0.00 O ATOM 1044 CB THR A 71 3.030 -11.416 5.243 1.00 0.00 C ATOM 1045 OG1 THR A 71 3.095 -12.242 4.084 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.633 -11.679 5.810 1.00 0.00 C ATOM 0 H THR A 71 5.250 -9.725 4.896 1.00 0.00 H new ATOM 0 HA THR A 71 2.442 -9.853 3.910 1.00 0.00 H new ATOM 0 HB THR A 71 3.775 -11.588 6.020 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.006 -13.182 4.347 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.579 -12.701 6.184 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.434 -10.983 6.625 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.890 -11.540 5.025 1.00 0.00 H new ATOM 1054 N VAL A 72 1.731 -8.288 5.587 1.00 0.00 N ATOM 1055 CA VAL A 72 1.323 -7.236 6.502 1.00 0.00 C ATOM 1056 C VAL A 72 0.088 -7.693 7.281 1.00 0.00 C ATOM 1057 O VAL A 72 -1.012 -7.744 6.734 1.00 0.00 O ATOM 1058 CB VAL A 72 1.096 -5.933 5.732 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.744 -4.788 6.684 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.315 -5.581 4.878 1.00 0.00 C ATOM 0 H VAL A 72 1.061 -8.492 4.846 1.00 0.00 H new ATOM 0 HA VAL A 72 2.110 -7.036 7.229 1.00 0.00 H new ATOM 0 HB VAL A 72 0.250 -6.083 5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.588 -3.874 6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.167 -5.035 7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.560 -4.638 7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.127 -4.651 4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.187 -5.459 5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.501 -6.382 4.162 1.00 0.00 H new ATOM 1070 N ARG A 73 0.312 -8.014 8.547 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.769 -8.465 9.407 1.00 0.00 C ATOM 1072 C ARG A 73 -0.937 -7.512 10.592 1.00 0.00 C ATOM 1073 O ARG A 73 -1.766 -7.747 11.470 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.502 -9.877 9.931 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.523 -10.898 8.792 1.00 0.00 C ATOM 1076 CD ARG A 73 -0.386 -12.324 9.330 1.00 0.00 C ATOM 1077 NE ARG A 73 1.029 -12.606 9.659 1.00 0.00 N ATOM 1078 CZ ARG A 73 1.487 -13.807 10.037 1.00 0.00 C ATOM 1079 NH1 ARG A 73 0.645 -14.845 10.136 1.00 0.00 N ATOM 1080 NH2 ARG A 73 2.788 -13.971 10.315 1.00 0.00 N ATOM 0 H ARG A 73 1.226 -7.971 8.998 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.683 -8.476 8.813 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.466 -9.906 10.432 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.254 -10.141 10.675 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.454 -10.805 8.233 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.290 -10.689 8.096 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.006 -12.448 10.218 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.745 -13.038 8.588 1.00 0.00 H new ATOM 0 HE ARG A 73 1.697 -11.838 9.594 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.345 -14.721 9.924 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.994 -15.759 10.424 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.429 -13.181 10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.137 -14.885 10.603 1.00 0.00 H new ATOM 1094 N SER A 74 -0.138 -6.455 10.579 1.00 0.00 N ATOM 1095 CA SER A 74 -0.188 -5.466 11.642 1.00 0.00 C ATOM 1096 C SER A 74 0.367 -4.131 11.141 1.00 0.00 C ATOM 1097 O SER A 74 1.305 -4.104 10.346 1.00 0.00 O ATOM 1098 CB SER A 74 0.592 -5.937 12.871 1.00 0.00 C ATOM 1099 OG SER A 74 1.968 -5.572 12.803 1.00 0.00 O ATOM 0 H SER A 74 0.548 -6.262 9.849 1.00 0.00 H new ATOM 0 HA SER A 74 -1.229 -5.333 11.936 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.147 -5.508 13.769 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.508 -7.020 12.960 1.00 0.00 H new ATOM 0 HG SER A 74 2.464 -6.257 12.308 1.00 0.00 H new ATOM 1105 N ASP A 75 -0.237 -3.056 11.626 1.00 0.00 N ATOM 1106 CA ASP A 75 0.185 -1.721 11.237 1.00 0.00 C ATOM 1107 C ASP A 75 1.714 -1.668 11.191 1.00 0.00 C ATOM 1108 O ASP A 75 2.288 -0.931 10.391 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.294 -0.676 12.247 1.00 0.00 C ATOM 1110 CG ASP A 75 -0.251 0.770 11.750 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -0.368 0.951 10.519 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -0.103 1.663 12.612 1.00 0.00 O ATOM 0 H ASP A 75 -1.015 -3.082 12.285 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.246 -1.502 10.260 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.317 -0.915 12.536 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.318 -0.754 13.146 1.00 0.00 H new ATOM 1117 N GLU A 76 2.328 -2.457 12.059 1.00 0.00 N ATOM 1118 CA GLU A 76 3.779 -2.509 12.127 1.00 0.00 C ATOM 1119 C GLU A 76 4.362 -2.858 10.756 1.00 0.00 C ATOM 1120 O GLU A 76 5.219 -2.141 10.241 1.00 0.00 O ATOM 1121 CB GLU A 76 4.243 -3.506 13.190 1.00 0.00 C ATOM 1122 CG GLU A 76 5.579 -3.077 13.799 1.00 0.00 C ATOM 1123 CD GLU A 76 5.827 -3.785 15.133 1.00 0.00 C ATOM 1124 OE1 GLU A 76 6.008 -5.021 15.093 1.00 0.00 O ATOM 1125 OE2 GLU A 76 5.831 -3.074 16.161 1.00 0.00 O ATOM 0 H GLU A 76 1.848 -3.066 12.722 1.00 0.00 H new ATOM 0 HA GLU A 76 4.145 -1.524 12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.490 -3.583 13.974 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.343 -4.496 12.746 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.389 -3.306 13.106 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.584 -1.997 13.950 1.00 0.00 H new ATOM 1132 N GLU A 77 3.875 -3.960 10.204 1.00 0.00 N ATOM 1133 CA GLU A 77 4.337 -4.412 8.903 1.00 0.00 C ATOM 1134 C GLU A 77 4.057 -3.348 7.840 1.00 0.00 C ATOM 1135 O GLU A 77 4.878 -3.121 6.953 1.00 0.00 O ATOM 1136 CB GLU A 77 3.692 -5.747 8.526 1.00 0.00 C ATOM 1137 CG GLU A 77 4.410 -6.915 9.206 1.00 0.00 C ATOM 1138 CD GLU A 77 3.438 -7.733 10.059 1.00 0.00 C ATOM 1139 OE1 GLU A 77 2.616 -8.452 9.451 1.00 0.00 O ATOM 1140 OE2 GLU A 77 3.540 -7.621 11.300 1.00 0.00 O ATOM 0 H GLU A 77 3.165 -4.553 10.634 1.00 0.00 H new ATOM 0 HA GLU A 77 5.414 -4.568 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.642 -5.742 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.723 -5.877 7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.865 -7.556 8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.218 -6.536 9.831 1.00 0.00 H new ATOM 1147 N MET A 78 2.895 -2.724 7.966 1.00 0.00 N ATOM 1148 CA MET A 78 2.496 -1.689 7.027 1.00 0.00 C ATOM 1149 C MET A 78 3.587 -0.625 6.887 1.00 0.00 C ATOM 1150 O MET A 78 4.201 -0.495 5.829 1.00 0.00 O ATOM 1151 CB MET A 78 1.202 -1.033 7.510 1.00 0.00 C ATOM 1152 CG MET A 78 0.066 -1.258 6.510 1.00 0.00 C ATOM 1153 SD MET A 78 -0.008 0.099 5.353 1.00 0.00 S ATOM 1154 CE MET A 78 -0.882 1.301 6.341 1.00 0.00 C ATOM 0 H MET A 78 2.217 -2.915 8.704 1.00 0.00 H new ATOM 0 HA MET A 78 2.338 -2.150 6.052 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.923 -1.443 8.481 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.362 0.036 7.649 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.222 -2.195 5.975 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.883 -1.347 7.039 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.908 1.390 5.983 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.888 0.981 7.383 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.385 2.268 6.261 1.00 0.00 H new ATOM 1164 N LYS A 79 3.796 0.108 7.971 1.00 0.00 N ATOM 1165 CA LYS A 79 4.802 1.156 7.983 1.00 0.00 C ATOM 1166 C LYS A 79 6.081 0.637 7.323 1.00 0.00 C ATOM 1167 O LYS A 79 6.827 1.404 6.717 1.00 0.00 O ATOM 1168 CB LYS A 79 5.012 1.681 9.404 1.00 0.00 C ATOM 1169 CG LYS A 79 3.937 2.704 9.776 1.00 0.00 C ATOM 1170 CD LYS A 79 4.449 3.675 10.841 1.00 0.00 C ATOM 1171 CE LYS A 79 4.564 2.985 12.202 1.00 0.00 C ATOM 1172 NZ LYS A 79 3.256 2.987 12.896 1.00 0.00 N ATOM 0 H LYS A 79 3.286 -0.003 8.847 1.00 0.00 H new ATOM 0 HA LYS A 79 4.467 2.013 7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.988 0.850 10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.998 2.139 9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.635 3.259 8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.051 2.188 10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.422 4.066 10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.773 4.527 10.917 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.910 1.960 12.069 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.308 3.496 12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.351 2.515 13.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.941 3.968 13.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.556 2.480 12.318 1.00 0.00 H new ATOM 1186 N ALA A 80 6.295 -0.663 7.463 1.00 0.00 N ATOM 1187 CA ALA A 80 7.471 -1.294 6.889 1.00 0.00 C ATOM 1188 C ALA A 80 7.335 -1.326 5.365 1.00 0.00 C ATOM 1189 O ALA A 80 8.206 -0.835 4.650 1.00 0.00 O ATOM 1190 CB ALA A 80 7.645 -2.691 7.488 1.00 0.00 C ATOM 0 H ALA A 80 5.674 -1.297 7.966 1.00 0.00 H new ATOM 0 HA ALA A 80 8.368 -0.723 7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.527 -3.164 7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.767 -2.611 8.568 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.765 -3.294 7.266 1.00 0.00 H new ATOM 1196 N MET A 81 6.234 -1.909 4.914 1.00 0.00 N ATOM 1197 CA MET A 81 5.972 -2.012 3.488 1.00 0.00 C ATOM 1198 C MET A 81 6.106 -0.648 2.807 1.00 0.00 C ATOM 1199 O MET A 81 6.652 -0.550 1.709 1.00 0.00 O ATOM 1200 CB MET A 81 4.560 -2.557 3.266 1.00 0.00 C ATOM 1201 CG MET A 81 4.151 -2.439 1.797 1.00 0.00 C ATOM 1202 SD MET A 81 2.473 -3.008 1.582 1.00 0.00 S ATOM 1203 CE MET A 81 1.582 -1.562 2.132 1.00 0.00 C ATOM 0 H MET A 81 5.513 -2.315 5.511 1.00 0.00 H new ATOM 0 HA MET A 81 6.705 -2.690 3.051 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.516 -3.601 3.576 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.853 -2.009 3.889 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.237 -1.403 1.469 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.826 -3.027 1.175 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.781 -1.338 1.427 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.156 -1.750 3.117 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.264 -0.714 2.188 1.00 0.00 H new ATOM 1213 N LEU A 82 5.599 0.370 3.487 1.00 0.00 N ATOM 1214 CA LEU A 82 5.655 1.723 2.961 1.00 0.00 C ATOM 1215 C LEU A 82 7.089 2.247 3.065 1.00 0.00 C ATOM 1216 O LEU A 82 7.516 3.065 2.251 1.00 0.00 O ATOM 1217 CB LEU A 82 4.623 2.612 3.657 1.00 0.00 C ATOM 1218 CG LEU A 82 3.163 2.382 3.261 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.232 2.584 4.458 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.771 3.264 2.074 1.00 0.00 C ATOM 0 H LEU A 82 5.148 0.285 4.398 1.00 0.00 H new ATOM 0 HA LEU A 82 5.388 1.732 1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.714 2.466 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.874 3.653 3.454 1.00 0.00 H new ATOM 0 HG LEU A 82 3.055 1.346 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.200 2.415 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.495 1.879 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.336 3.602 4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.729 3.081 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.899 4.313 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.406 3.028 1.220 1.00 0.00 H new ATOM 1232 N SER A 83 7.793 1.754 4.074 1.00 0.00 N ATOM 1233 CA SER A 83 9.170 2.163 4.295 1.00 0.00 C ATOM 1234 C SER A 83 10.055 1.660 3.154 1.00 0.00 C ATOM 1235 O SER A 83 11.108 2.233 2.881 1.00 0.00 O ATOM 1236 CB SER A 83 9.689 1.644 5.638 1.00 0.00 C ATOM 1237 OG SER A 83 9.915 2.700 6.567 1.00 0.00 O ATOM 0 H SER A 83 7.436 1.076 4.747 1.00 0.00 H new ATOM 0 HA SER A 83 9.204 3.252 4.319 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.970 0.940 6.057 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.617 1.095 5.480 1.00 0.00 H new ATOM 0 HG SER A 83 10.244 2.328 7.412 1.00 0.00 H new ATOM 1243 N TYR A 84 9.595 0.592 2.517 1.00 0.00 N ATOM 1244 CA TYR A 84 10.332 0.005 1.411 1.00 0.00 C ATOM 1245 C TYR A 84 9.954 0.671 0.086 1.00 0.00 C ATOM 1246 O TYR A 84 10.827 1.075 -0.681 1.00 0.00 O ATOM 1247 CB TYR A 84 9.920 -1.467 1.364 1.00 0.00 C ATOM 1248 CG TYR A 84 10.124 -2.128 -0.001 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.349 -2.674 -0.327 1.00 0.00 C ATOM 1250 CD2 TYR A 84 9.083 -2.177 -0.906 1.00 0.00 C ATOM 1251 CE1 TYR A 84 11.541 -3.295 -1.612 1.00 0.00 C ATOM 1252 CE2 TYR A 84 9.275 -2.798 -2.191 1.00 0.00 C ATOM 1253 CZ TYR A 84 10.494 -3.327 -2.480 1.00 0.00 C ATOM 1254 OH TYR A 84 10.676 -3.914 -3.694 1.00 0.00 O ATOM 0 H TYR A 84 8.721 0.119 2.746 1.00 0.00 H new ATOM 0 HA TYR A 84 11.405 0.134 1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.491 -2.017 2.112 1.00 0.00 H new ATOM 0 HB3 TYR A 84 8.869 -1.548 1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.163 -2.636 0.381 1.00 0.00 H new ATOM 0 HD2 TYR A 84 8.125 -1.750 -0.650 1.00 0.00 H new ATOM 0 HE1 TYR A 84 12.494 -3.725 -1.880 1.00 0.00 H new ATOM 0 HE2 TYR A 84 8.469 -2.843 -2.909 1.00 0.00 H new ATOM 0 HH TYR A 84 10.071 -4.680 -3.781 1.00 0.00 H new ATOM 1264 N TYR A 85 8.652 0.763 -0.143 1.00 0.00 N ATOM 1265 CA TYR A 85 8.148 1.372 -1.362 1.00 0.00 C ATOM 1266 C TYR A 85 8.828 2.717 -1.625 1.00 0.00 C ATOM 1267 O TYR A 85 9.253 2.993 -2.746 1.00 0.00 O ATOM 1268 CB TYR A 85 6.654 1.606 -1.130 1.00 0.00 C ATOM 1269 CG TYR A 85 5.909 2.134 -2.357 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.709 1.314 -3.449 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.437 3.431 -2.373 1.00 0.00 C ATOM 1272 CE1 TYR A 85 5.007 1.811 -4.604 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.735 3.928 -3.528 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.555 3.093 -4.587 1.00 0.00 C ATOM 1275 OH TYR A 85 3.893 3.563 -5.678 1.00 0.00 O ATOM 0 H TYR A 85 7.931 0.426 0.495 1.00 0.00 H new ATOM 0 HA TYR A 85 8.342 0.729 -2.221 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.195 0.669 -0.814 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.531 2.314 -0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.079 0.299 -3.437 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.594 4.073 -1.519 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.843 1.179 -5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.360 4.940 -3.553 1.00 0.00 H new ATOM 0 HH TYR A 85 4.214 3.101 -6.480 1.00 0.00 H new ATOM 1285 N TYR A 86 8.911 3.518 -0.573 1.00 0.00 N ATOM 1286 CA TYR A 86 9.532 4.827 -0.676 1.00 0.00 C ATOM 1287 C TYR A 86 11.052 4.704 -0.804 1.00 0.00 C ATOM 1288 O TYR A 86 11.688 5.505 -1.489 1.00 0.00 O ATOM 1289 CB TYR A 86 9.200 5.555 0.628 1.00 0.00 C ATOM 1290 CG TYR A 86 7.702 5.662 0.917 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.799 5.707 -0.126 1.00 0.00 C ATOM 1292 CD2 TYR A 86 7.252 5.712 2.221 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.389 5.807 0.146 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.841 5.813 2.493 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.979 5.855 1.442 1.00 0.00 C ATOM 1296 OH TYR A 86 3.647 5.950 1.698 1.00 0.00 O ATOM 0 H TYR A 86 8.558 3.285 0.355 1.00 0.00 H new ATOM 0 HA TYR A 86 9.167 5.357 -1.556 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.683 5.035 1.455 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.625 6.558 0.590 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.150 5.667 -1.146 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.958 5.675 3.038 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.672 5.843 -0.661 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.476 5.854 3.509 1.00 0.00 H new ATOM 0 HH TYR A 86 3.142 5.733 0.887 1.00 0.00 H new ATOM 1306 N SER A 87 11.591 3.695 -0.135 1.00 0.00 N ATOM 1307 CA SER A 87 13.024 3.457 -0.166 1.00 0.00 C ATOM 1308 C SER A 87 13.440 2.945 -1.546 1.00 0.00 C ATOM 1309 O SER A 87 14.577 3.143 -1.970 1.00 0.00 O ATOM 1310 CB SER A 87 13.440 2.461 0.918 1.00 0.00 C ATOM 1311 OG SER A 87 14.856 2.397 1.069 1.00 0.00 O ATOM 0 H SER A 87 11.061 3.033 0.432 1.00 0.00 H new ATOM 0 HA SER A 87 13.532 4.401 0.032 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.987 2.748 1.867 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.057 1.472 0.668 1.00 0.00 H new ATOM 0 HG SER A 87 15.081 1.752 1.771 1.00 0.00 H new ATOM 1317 N THR A 88 12.495 2.295 -2.210 1.00 0.00 N ATOM 1318 CA THR A 88 12.749 1.752 -3.534 1.00 0.00 C ATOM 1319 C THR A 88 12.264 2.725 -4.611 1.00 0.00 C ATOM 1320 O THR A 88 12.939 2.928 -5.619 1.00 0.00 O ATOM 1321 CB THR A 88 12.087 0.376 -3.616 1.00 0.00 C ATOM 1322 OG1 THR A 88 12.954 -0.377 -4.460 1.00 0.00 O ATOM 1323 CG2 THR A 88 10.760 0.408 -4.378 1.00 0.00 C ATOM 0 H THR A 88 11.552 2.132 -1.856 1.00 0.00 H new ATOM 0 HA THR A 88 13.817 1.625 -3.711 1.00 0.00 H new ATOM 0 HB THR A 88 11.918 -0.005 -2.609 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.600 -1.285 -4.566 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.333 -0.594 -4.407 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.068 1.083 -3.875 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.933 0.758 -5.396 1.00 0.00 H new ATOM 1331 N VAL A 89 11.096 3.300 -4.361 1.00 0.00 N ATOM 1332 CA VAL A 89 10.513 4.246 -5.297 1.00 0.00 C ATOM 1333 C VAL A 89 11.532 5.344 -5.607 1.00 0.00 C ATOM 1334 O VAL A 89 11.852 5.589 -6.770 1.00 0.00 O ATOM 1335 CB VAL A 89 9.198 4.792 -4.738 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.839 6.130 -5.387 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.065 3.778 -4.911 1.00 0.00 C ATOM 0 H VAL A 89 10.538 3.129 -3.524 1.00 0.00 H new ATOM 0 HA VAL A 89 10.271 3.752 -6.238 1.00 0.00 H new ATOM 0 HB VAL A 89 9.334 4.963 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.900 6.496 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.630 6.854 -5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.731 5.995 -6.463 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.142 4.191 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.930 3.560 -5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.315 2.859 -4.381 1.00 0.00 H new ATOM 1347 N MET A 90 12.014 5.977 -4.547 1.00 0.00 N ATOM 1348 CA MET A 90 12.990 7.043 -4.692 1.00 0.00 C ATOM 1349 C MET A 90 14.197 6.575 -5.507 1.00 0.00 C ATOM 1350 O MET A 90 14.861 7.380 -6.158 1.00 0.00 O ATOM 1351 CB MET A 90 13.455 7.501 -3.308 1.00 0.00 C ATOM 1352 CG MET A 90 14.629 6.652 -2.815 1.00 0.00 C ATOM 1353 SD MET A 90 16.169 7.346 -3.392 1.00 0.00 S ATOM 1354 CE MET A 90 17.096 7.353 -1.867 1.00 0.00 C ATOM 0 H MET A 90 11.746 5.772 -3.584 1.00 0.00 H new ATOM 0 HA MET A 90 12.519 7.872 -5.220 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.751 8.549 -3.348 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.628 7.431 -2.601 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.625 6.609 -1.726 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.525 5.628 -3.175 1.00 0.00 H new ATOM 0 HE1 MET A 90 18.091 7.759 -2.048 1.00 0.00 H new ATOM 0 HE2 MET A 90 16.581 7.970 -1.131 1.00 0.00 H new ATOM 0 HE3 MET A 90 17.183 6.334 -1.490 1.00 0.00 H new ATOM 1364 N GLU A 91 14.445 5.275 -5.445 1.00 0.00 N ATOM 1365 CA GLU A 91 15.560 4.689 -6.169 1.00 0.00 C ATOM 1366 C GLU A 91 15.205 4.526 -7.648 1.00 0.00 C ATOM 1367 O GLU A 91 16.078 4.602 -8.512 1.00 0.00 O ATOM 1368 CB GLU A 91 15.972 3.351 -5.553 1.00 0.00 C ATOM 1369 CG GLU A 91 16.857 3.562 -4.324 1.00 0.00 C ATOM 1370 CD GLU A 91 17.183 2.229 -3.647 1.00 0.00 C ATOM 1371 OE1 GLU A 91 17.181 1.210 -4.370 1.00 0.00 O ATOM 1372 OE2 GLU A 91 17.428 2.260 -2.421 1.00 0.00 O ATOM 0 H GLU A 91 13.892 4.610 -4.904 1.00 0.00 H new ATOM 0 HA GLU A 91 16.413 5.364 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.083 2.787 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.507 2.756 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.781 4.060 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.352 4.219 -3.616 1.00 0.00 H new ATOM 1379 N GLN A 92 13.922 4.305 -7.896 1.00 0.00 N ATOM 1380 CA GLN A 92 13.442 4.130 -9.256 1.00 0.00 C ATOM 1381 C GLN A 92 13.459 5.467 -10.000 1.00 0.00 C ATOM 1382 O GLN A 92 13.463 5.497 -11.230 1.00 0.00 O ATOM 1383 CB GLN A 92 12.041 3.514 -9.267 1.00 0.00 C ATOM 1384 CG GLN A 92 12.112 1.990 -9.151 1.00 0.00 C ATOM 1385 CD GLN A 92 11.286 1.318 -10.250 1.00 0.00 C ATOM 1386 OE1 GLN A 92 11.808 0.734 -11.185 1.00 0.00 O ATOM 1387 NE2 GLN A 92 9.971 1.431 -10.084 1.00 0.00 N ATOM 0 H GLN A 92 13.200 4.243 -7.178 1.00 0.00 H new ATOM 0 HA GLN A 92 14.111 3.441 -9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.455 3.918 -8.441 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.526 3.789 -10.188 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.150 1.664 -9.220 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.745 1.679 -8.173 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.600 1.934 -9.278 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.334 1.015 -10.763 1.00 0.00 H new ATOM 1396 N GLN A 93 13.468 6.540 -9.224 1.00 0.00 N ATOM 1397 CA GLN A 93 13.485 7.877 -9.794 1.00 0.00 C ATOM 1398 C GLN A 93 14.919 8.298 -10.119 1.00 0.00 C ATOM 1399 O GLN A 93 15.192 8.799 -11.208 1.00 0.00 O ATOM 1400 CB GLN A 93 12.817 8.883 -8.854 1.00 0.00 C ATOM 1401 CG GLN A 93 11.383 8.461 -8.529 1.00 0.00 C ATOM 1402 CD GLN A 93 10.498 9.682 -8.268 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.586 10.699 -8.938 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.644 9.526 -7.261 1.00 0.00 N ATOM 0 H GLN A 93 13.464 6.511 -8.204 1.00 0.00 H new ATOM 0 HA GLN A 93 12.913 7.862 -10.722 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.394 8.964 -7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.814 9.871 -9.315 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.974 7.881 -9.357 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.381 7.812 -7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.623 8.648 -6.742 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.010 10.284 -7.008 1.00 0.00 H new ATOM 1413 N VAL A 94 15.799 8.078 -9.153 1.00 0.00 N ATOM 1414 CA VAL A 94 17.199 8.429 -9.322 1.00 0.00 C ATOM 1415 C VAL A 94 17.784 7.628 -10.487 1.00 0.00 C ATOM 1416 O VAL A 94 18.711 8.084 -11.155 1.00 0.00 O ATOM 1417 CB VAL A 94 17.955 8.213 -8.009 1.00 0.00 C ATOM 1418 CG1 VAL A 94 17.158 8.756 -6.822 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.297 6.735 -7.810 1.00 0.00 C ATOM 0 H VAL A 94 15.570 7.661 -8.251 1.00 0.00 H new ATOM 0 HA VAL A 94 17.301 9.486 -9.570 1.00 0.00 H new ATOM 0 HB VAL A 94 18.891 8.769 -8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.718 8.590 -5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.988 9.824 -6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.199 8.241 -6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.834 6.609 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.378 6.149 -7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.923 6.392 -8.634 1.00 0.00 H new ATOM 1429 N ASN A 95 17.218 6.448 -10.695 1.00 0.00 N ATOM 1430 CA ASN A 95 17.671 5.579 -11.768 1.00 0.00 C ATOM 1431 C ASN A 95 17.174 6.128 -13.107 1.00 0.00 C ATOM 1432 O ASN A 95 17.974 6.456 -13.983 1.00 0.00 O ATOM 1433 CB ASN A 95 17.116 4.163 -11.602 1.00 0.00 C ATOM 1434 CG ASN A 95 18.245 3.154 -11.387 1.00 0.00 C ATOM 1435 OD1 ASN A 95 18.591 2.374 -12.259 1.00 0.00 O ATOM 1436 ND2 ASN A 95 18.799 3.211 -10.179 1.00 0.00 N ATOM 0 H ASN A 95 16.450 6.073 -10.139 1.00 0.00 H new ATOM 0 HA ASN A 95 18.760 5.545 -11.737 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.431 4.134 -10.755 1.00 0.00 H new ATOM 0 HB3 ASN A 95 16.541 3.888 -12.486 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.561 2.578 -9.937 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.462 3.888 -9.495 1.00 0.00 H new ATOM 1443 N GLY A 96 15.857 6.211 -13.224 1.00 0.00 N ATOM 1444 CA GLY A 96 15.244 6.714 -14.442 1.00 0.00 C ATOM 1445 C GLY A 96 13.875 6.071 -14.673 1.00 0.00 C ATOM 1446 O GLY A 96 12.876 6.770 -14.830 1.00 0.00 O ATOM 0 H GLY A 96 15.197 5.938 -12.495 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.135 7.797 -14.378 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.894 6.509 -15.292 1.00 0.00 H new ATOM 1450 N GLN A 97 13.874 4.746 -14.686 1.00 0.00 N ATOM 1451 CA GLN A 97 12.645 4.001 -14.896 1.00 0.00 C ATOM 1452 C GLN A 97 11.491 4.655 -14.133 1.00 0.00 C ATOM 1453 O GLN A 97 11.708 5.310 -13.115 1.00 0.00 O ATOM 1454 CB GLN A 97 12.814 2.537 -14.484 1.00 0.00 C ATOM 1455 CG GLN A 97 13.447 2.428 -13.096 1.00 0.00 C ATOM 1456 CD GLN A 97 14.226 1.118 -12.949 1.00 0.00 C ATOM 1457 OE1 GLN A 97 14.061 0.180 -13.712 1.00 0.00 O ATOM 1458 NE2 GLN A 97 15.080 1.108 -11.930 1.00 0.00 N ATOM 0 H GLN A 97 14.705 4.169 -14.554 1.00 0.00 H new ATOM 0 HA GLN A 97 12.409 4.020 -15.960 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.843 2.041 -14.485 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.437 2.020 -15.214 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.115 3.273 -12.930 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.670 2.481 -12.333 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.168 1.928 -11.330 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.647 0.280 -11.748 1.00 0.00 H new ATOM 1467 N LEU A 98 10.290 4.454 -14.655 1.00 0.00 N ATOM 1468 CA LEU A 98 9.102 5.016 -14.035 1.00 0.00 C ATOM 1469 C LEU A 98 8.809 4.270 -12.733 1.00 0.00 C ATOM 1470 O LEU A 98 9.207 3.117 -12.571 1.00 0.00 O ATOM 1471 CB LEU A 98 7.932 5.015 -15.021 1.00 0.00 C ATOM 1472 CG LEU A 98 7.817 6.242 -15.928 1.00 0.00 C ATOM 1473 CD1 LEU A 98 6.978 5.930 -17.169 1.00 0.00 C ATOM 1474 CD2 LEU A 98 7.274 7.445 -15.156 1.00 0.00 C ATOM 0 H LEU A 98 10.114 3.910 -15.500 1.00 0.00 H new ATOM 0 HA LEU A 98 9.268 6.061 -13.773 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.014 4.129 -15.651 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.006 4.919 -14.455 1.00 0.00 H new ATOM 0 HG LEU A 98 8.816 6.506 -16.274 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.912 6.819 -17.797 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.447 5.123 -17.732 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.977 5.626 -16.864 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.202 8.304 -15.824 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.286 7.208 -14.762 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.946 7.682 -14.332 1.00 0.00 H new ATOM 1486 N ILE A 99 8.115 4.957 -11.837 1.00 0.00 N ATOM 1487 CA ILE A 99 7.764 4.373 -10.554 1.00 0.00 C ATOM 1488 C ILE A 99 6.641 3.353 -10.752 1.00 0.00 C ATOM 1489 O ILE A 99 5.789 3.524 -11.622 1.00 0.00 O ATOM 1490 CB ILE A 99 7.428 5.469 -9.540 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.572 6.477 -9.424 1.00 0.00 C ATOM 1492 CG2 ILE A 99 7.054 4.866 -8.185 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.840 5.809 -8.889 1.00 0.00 C ATOM 0 H ILE A 99 7.786 5.913 -11.975 1.00 0.00 H new ATOM 0 HA ILE A 99 8.614 3.834 -10.136 1.00 0.00 H new ATOM 0 HB ILE A 99 6.555 6.013 -9.901 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.773 6.918 -10.400 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.278 7.291 -8.761 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.820 5.666 -7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.184 4.220 -8.302 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.891 4.282 -7.803 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.638 6.548 -8.816 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.642 5.391 -7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.145 5.012 -9.567 1.00 0.00 H new ATOM 1505 N GLU A 100 6.677 2.314 -9.931 1.00 0.00 N ATOM 1506 CA GLU A 100 5.673 1.266 -10.005 1.00 0.00 C ATOM 1507 C GLU A 100 4.719 1.360 -8.812 1.00 0.00 C ATOM 1508 O GLU A 100 5.097 1.846 -7.747 1.00 0.00 O ATOM 1509 CB GLU A 100 6.326 -0.115 -10.078 1.00 0.00 C ATOM 1510 CG GLU A 100 7.118 -0.279 -11.377 1.00 0.00 C ATOM 1511 CD GLU A 100 6.195 -0.658 -12.537 1.00 0.00 C ATOM 1512 OE1 GLU A 100 5.740 -1.823 -12.543 1.00 0.00 O ATOM 1513 OE2 GLU A 100 5.966 0.225 -13.392 1.00 0.00 O ATOM 0 H GLU A 100 7.386 2.175 -9.211 1.00 0.00 H new ATOM 0 HA GLU A 100 5.096 1.407 -10.919 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.989 -0.253 -9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.560 -0.887 -10.015 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.638 0.650 -11.610 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.880 -1.047 -11.248 1.00 0.00 H new ATOM 1520 N PRO A 101 3.469 0.873 -9.036 1.00 0.00 N ATOM 1521 CA PRO A 101 2.458 0.897 -7.992 1.00 0.00 C ATOM 1522 C PRO A 101 2.728 -0.184 -6.943 1.00 0.00 C ATOM 1523 O PRO A 101 3.181 -1.278 -7.276 1.00 0.00 O ATOM 1524 CB PRO A 101 1.138 0.702 -8.719 1.00 0.00 C ATOM 1525 CG PRO A 101 1.491 0.114 -10.076 1.00 0.00 C ATOM 1526 CD PRO A 101 2.986 0.289 -10.284 1.00 0.00 C ATOM 0 HA PRO A 101 2.454 1.831 -7.431 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.481 0.033 -8.163 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.610 1.649 -8.829 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.221 -0.941 -10.117 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.934 0.617 -10.867 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.472 -0.665 -10.488 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.194 0.941 -11.133 1.00 0.00 H new ATOM 1534 N LEU A 102 2.439 0.162 -5.697 1.00 0.00 N ATOM 1535 CA LEU A 102 2.645 -0.765 -4.597 1.00 0.00 C ATOM 1536 C LEU A 102 1.830 -2.035 -4.846 1.00 0.00 C ATOM 1537 O LEU A 102 0.704 -2.160 -4.365 1.00 0.00 O ATOM 1538 CB LEU A 102 2.334 -0.088 -3.261 1.00 0.00 C ATOM 1539 CG LEU A 102 2.682 -0.890 -2.005 1.00 0.00 C ATOM 1540 CD1 LEU A 102 4.065 -1.531 -2.130 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.563 -0.023 -0.750 1.00 0.00 C ATOM 0 H LEU A 102 2.064 1.071 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 102 3.692 -1.063 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.871 0.860 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.270 0.147 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 102 1.959 -1.700 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.288 -2.095 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.078 -2.203 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.816 -0.753 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.816 -0.617 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.247 0.822 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.541 0.345 -0.657 1.00 0.00 H new ATOM 1553 N GLN A 103 2.429 -2.947 -5.598 1.00 0.00 N ATOM 1554 CA GLN A 103 1.773 -4.203 -5.917 1.00 0.00 C ATOM 1555 C GLN A 103 1.514 -5.006 -4.641 1.00 0.00 C ATOM 1556 O GLN A 103 2.438 -5.580 -4.066 1.00 0.00 O ATOM 1557 CB GLN A 103 2.599 -5.015 -6.917 1.00 0.00 C ATOM 1558 CG GLN A 103 1.826 -6.246 -7.395 1.00 0.00 C ATOM 1559 CD GLN A 103 2.584 -6.970 -8.510 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.596 -6.508 -9.009 1.00 0.00 O ATOM 1561 NE2 GLN A 103 2.039 -8.129 -8.870 1.00 0.00 N ATOM 0 H GLN A 103 3.362 -2.841 -5.996 1.00 0.00 H new ATOM 0 HA GLN A 103 0.814 -3.980 -6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.859 -4.390 -7.771 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.535 -5.326 -6.453 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.665 -6.926 -6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.842 -5.945 -7.755 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.190 -8.458 -8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.470 -8.689 -9.605 1.00 0.00 H new ATOM 1570 N ILE A 104 0.253 -5.022 -4.235 1.00 0.00 N ATOM 1571 CA ILE A 104 -0.139 -5.745 -3.037 1.00 0.00 C ATOM 1572 C ILE A 104 -1.142 -6.837 -3.411 1.00 0.00 C ATOM 1573 O ILE A 104 -1.806 -6.748 -4.443 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.654 -4.776 -1.971 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.926 -4.068 -2.441 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.436 -3.784 -1.559 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.654 -3.410 -1.268 1.00 0.00 C ATOM 0 H ILE A 104 -0.511 -4.546 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 104 0.723 -6.242 -2.593 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.916 -5.353 -1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.672 -3.313 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.587 -4.785 -2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.044 -3.107 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.289 -4.328 -1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.753 -3.209 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.554 -2.914 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.928 -4.171 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.999 -2.676 -0.799 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.221 -7.844 -2.553 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.132 -8.952 -2.781 1.00 0.00 C ATOM 1591 C PHE A 105 -3.049 -9.165 -1.574 1.00 0.00 C ATOM 1592 O PHE A 105 -2.576 -9.305 -0.448 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.274 -10.203 -2.981 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.235 -10.072 -4.097 1.00 0.00 C ATOM 1595 CD1 PHE A 105 0.928 -9.406 -3.869 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.475 -10.623 -5.317 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.892 -9.285 -4.904 1.00 0.00 C ATOM 1598 CE2 PHE A 105 0.489 -10.502 -6.353 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.652 -9.835 -6.124 1.00 0.00 C ATOM 0 H PHE A 105 -0.668 -7.915 -1.699 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.759 -8.746 -3.648 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.762 -10.433 -2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.927 -11.047 -3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.119 -8.969 -2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.399 -11.153 -5.498 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.816 -8.756 -4.722 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.299 -10.939 -7.322 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.385 -9.742 -6.912 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.378 -9.184 -1.859 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.366 -9.378 -0.811 1.00 0.00 C ATOM 1611 C PRO A 106 -5.406 -10.839 -0.359 1.00 0.00 C ATOM 1612 O PRO A 106 -6.065 -11.668 -0.985 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.678 -8.906 -1.415 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.468 -8.903 -2.920 1.00 0.00 C ATOM 1615 CD PRO A 106 -4.975 -9.023 -3.182 1.00 0.00 C ATOM 0 HA PRO A 106 -5.135 -8.816 0.094 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.497 -9.569 -1.136 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -6.938 -7.910 -1.055 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.005 -9.732 -3.382 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -6.860 -7.985 -3.358 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.753 -9.876 -3.823 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.589 -8.137 -3.685 1.00 0.00 H new ATOM 1623 N ARG A 107 -4.694 -11.110 0.725 1.00 0.00 N ATOM 1624 CA ARG A 107 -4.640 -12.457 1.268 1.00 0.00 C ATOM 1625 C ARG A 107 -6.053 -12.974 1.546 1.00 0.00 C ATOM 1626 O ARG A 107 -6.576 -12.801 2.646 1.00 0.00 O ATOM 1627 CB ARG A 107 -3.826 -12.497 2.562 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.418 -13.039 2.308 1.00 0.00 C ATOM 1629 CD ARG A 107 -1.703 -13.347 3.625 1.00 0.00 C ATOM 1630 NE ARG A 107 -2.117 -14.677 4.127 1.00 0.00 N ATOM 1631 CZ ARG A 107 -3.140 -14.877 4.968 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -3.860 -13.836 5.408 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -3.443 -16.119 5.371 1.00 0.00 N ATOM 0 H ARG A 107 -4.150 -10.420 1.242 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.155 -13.094 0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.763 -11.495 2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.334 -13.123 3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.476 -13.943 1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.841 -12.310 1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.623 -13.325 3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.938 -12.581 4.364 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.590 -15.492 3.813 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.629 -12.891 5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -4.639 -13.989 6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.894 -16.912 5.037 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.222 -16.272 6.011 1.00 0.00 H new ATOM 1647 N SER A 108 -6.632 -13.597 0.530 1.00 0.00 N ATOM 1648 CA SER A 108 -7.974 -14.140 0.651 1.00 0.00 C ATOM 1649 C SER A 108 -7.907 -15.616 1.049 1.00 0.00 C ATOM 1650 O SER A 108 -7.187 -16.398 0.429 1.00 0.00 O ATOM 1651 CB SER A 108 -8.754 -13.977 -0.655 1.00 0.00 C ATOM 1652 OG SER A 108 -8.334 -12.830 -1.388 1.00 0.00 O ATOM 0 H SER A 108 -6.196 -13.738 -0.381 1.00 0.00 H new ATOM 0 HA SER A 108 -8.499 -13.584 1.428 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.623 -14.868 -1.269 1.00 0.00 H new ATOM 0 HB3 SER A 108 -9.818 -13.896 -0.434 1.00 0.00 H new ATOM 0 HG SER A 108 -7.355 -12.783 -1.389 1.00 0.00 H new ATOM 1658 N GLY A 109 -8.668 -15.953 2.080 1.00 0.00 N ATOM 1659 CA GLY A 109 -8.704 -17.322 2.567 1.00 0.00 C ATOM 1660 C GLY A 109 -10.130 -17.876 2.540 1.00 0.00 C ATOM 1661 O GLY A 109 -11.071 -17.161 2.198 1.00 0.00 O ATOM 0 H GLY A 109 -9.264 -15.302 2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.055 -17.947 1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.314 -17.360 3.584 1.00 0.00 H new ATOM 1665 N PRO A 110 -10.248 -19.178 2.913 1.00 0.00 N ATOM 1666 CA PRO A 110 -11.543 -19.837 2.935 1.00 0.00 C ATOM 1667 C PRO A 110 -12.370 -19.380 4.138 1.00 0.00 C ATOM 1668 O PRO A 110 -13.481 -18.877 3.977 1.00 0.00 O ATOM 1669 CB PRO A 110 -11.228 -21.323 2.960 1.00 0.00 C ATOM 1670 CG PRO A 110 -9.783 -21.436 3.420 1.00 0.00 C ATOM 1671 CD PRO A 110 -9.155 -20.055 3.325 1.00 0.00 C ATOM 0 HA PRO A 110 -12.156 -19.589 2.069 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -11.896 -21.852 3.639 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -11.359 -21.767 1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.736 -21.807 4.444 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -9.239 -22.147 2.798 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.737 -19.744 4.282 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -8.340 -20.039 2.601 1.00 0.00 H new ATOM 1679 N SER A 111 -11.797 -19.572 5.317 1.00 0.00 N ATOM 1680 CA SER A 111 -12.468 -19.187 6.547 1.00 0.00 C ATOM 1681 C SER A 111 -12.766 -17.686 6.532 1.00 0.00 C ATOM 1682 O SER A 111 -12.121 -16.929 5.809 1.00 0.00 O ATOM 1683 CB SER A 111 -11.624 -19.549 7.771 1.00 0.00 C ATOM 1684 OG SER A 111 -11.316 -20.939 7.815 1.00 0.00 O ATOM 0 H SER A 111 -10.875 -19.989 5.447 1.00 0.00 H new ATOM 0 HA SER A 111 -13.407 -19.737 6.612 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.699 -18.973 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.160 -19.268 8.677 1.00 0.00 H new ATOM 0 HG SER A 111 -10.775 -21.129 8.610 1.00 0.00 H new ATOM 1690 N SER A 112 -13.744 -17.302 7.339 1.00 0.00 N ATOM 1691 CA SER A 112 -14.135 -15.905 7.428 1.00 0.00 C ATOM 1692 C SER A 112 -15.302 -15.750 8.405 1.00 0.00 C ATOM 1693 O SER A 112 -16.456 -15.663 7.990 1.00 0.00 O ATOM 1694 CB SER A 112 -14.516 -15.351 6.054 1.00 0.00 C ATOM 1695 OG SER A 112 -14.970 -14.003 6.129 1.00 0.00 O ATOM 0 H SER A 112 -14.277 -17.933 7.937 1.00 0.00 H new ATOM 0 HA SER A 112 -13.283 -15.334 7.796 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.654 -15.407 5.389 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.297 -15.973 5.616 1.00 0.00 H new ATOM 0 HG SER A 112 -15.202 -13.686 5.231 1.00 0.00 H new ATOM 1701 N GLY A 113 -14.960 -15.719 9.685 1.00 0.00 N ATOM 1702 CA GLY A 113 -15.965 -15.576 10.725 1.00 0.00 C ATOM 1703 C GLY A 113 -16.126 -14.110 11.133 1.00 0.00 C ATOM 1704 O GLY A 113 -16.025 -13.776 12.313 1.00 0.00 O ATOM 0 H GLY A 113 -14.001 -15.790 10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -16.919 -15.965 10.370 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -15.682 -16.170 11.594 1.00 0.00 H new TER 1708 GLY A 113