USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 824 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 91 SER OG : rot -180:sc= -0.134! USER MOD Set 1.2: A 96 SER OG : rot -76:sc= 2.28 USER MOD Set 2.1: A 32 CYS SG : rot -110:sc= -0.971 USER MOD Set 2.2: A 76 GLN : amide:sc= -5.49! C(o=-6.5!,f=-5.8!) USER MOD Set 3.1: A 28 TYR OH : rot -144:sc= 0.653 USER MOD Set 3.2: A 38 GLN : amide:sc= -1.89 K(o=-1.2,f=-9.7!) USER MOD Single : A 1 GLN : amide:sc=-0.000417 X(o=-0.00042,f=0) USER MOD Single : A 1 GLN N :NH3+ 174:sc= -2.04 (180deg=-2.17!) USER MOD Single : A 4 SER OG : rot 57:sc= 0.505 USER MOD Single : A 8 TYR OH : rot 30:sc= -0.624 USER MOD Single : A 9 SER OG : rot 180:sc= 0.361 USER MOD Single : A 14 THR OG1 : rot 43:sc= 0.442 USER MOD Single : A 15 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.14) USER MOD Single : A 17 GLN : amide:sc= -0.0724 X(o=-0.072,f=-0.017) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -25:sc= 0.479 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.475 USER MOD Single : A 48 GLN : amide:sc= -0.966 K(o=-0.97,f=-2.1!) USER MOD Single : A 51 GLN : amide:sc= -3.16 K(o=-3.2,f=-5.1!) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00407) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -4.15! C(o=-4.2!,f=-5.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.013) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 72:sc= 0.403 USER MOD Single : A 75 GLN : amide:sc= -1.19 K(o=-1.2,f=-1.9!) USER MOD Single : A 77 SER OG : rot -50:sc= -0.827 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0463 USER MOD Single : A 82 TYR OH : rot 30:sc=-0.00304 USER MOD Single : A 84 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.081) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0331 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 93:sc= 1.2 USER MOD Single : A 105 THR OG1 : rot 88:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 5.309 -4.712 -8.521 1.00 15.42 N ATOM 2 CA GLN A 1 4.133 -4.497 -9.357 1.00 3.53 C ATOM 3 C GLN A 1 3.235 -3.416 -8.765 1.00 12.51 C ATOM 4 O GLN A 1 2.308 -3.710 -8.011 1.00 12.42 O ATOM 5 CB GLN A 1 3.348 -5.800 -9.514 1.00 13.42 C ATOM 6 CG GLN A 1 2.135 -5.673 -10.422 1.00 31.25 C ATOM 7 CD GLN A 1 0.857 -6.145 -9.757 1.00 13.43 C ATOM 8 OE1 GLN A 1 -0.106 -5.387 -9.628 1.00 63.33 O ATOM 9 NE2 GLN A 1 0.840 -7.402 -9.330 1.00 1.14 N ATOM 0 H1 GLN A 1 5.852 -5.519 -8.887 1.00 15.42 H new ATOM 0 H2 GLN A 1 5.905 -3.859 -8.534 1.00 15.42 H new ATOM 0 H3 GLN A 1 5.010 -4.911 -7.545 1.00 15.42 H new ATOM 0 HA GLN A 1 4.471 -4.165 -10.338 1.00 3.53 H new ATOM 0 HB2 GLN A 1 4.011 -6.568 -9.912 1.00 13.42 H new ATOM 0 HB3 GLN A 1 3.022 -6.139 -8.531 1.00 13.42 H new ATOM 0 HG2 GLN A 1 2.020 -4.632 -10.725 1.00 31.25 H new ATOM 0 HG3 GLN A 1 2.303 -6.252 -11.330 1.00 31.25 H new ATOM 0 HE21 GLN A 1 1.660 -7.995 -9.457 1.00 1.14 H new ATOM 0 HE22 GLN A 1 0.007 -7.775 -8.875 1.00 1.14 H new ATOM 18 N ALA A 2 3.516 -2.164 -9.112 1.00 3.24 N ATOM 19 CA ALA A 2 2.733 -1.039 -8.616 1.00 74.20 C ATOM 20 C ALA A 2 1.972 -0.359 -9.749 1.00 14.22 C ATOM 21 O ALA A 2 1.750 0.851 -9.721 1.00 45.54 O ATOM 22 CB ALA A 2 3.634 -0.039 -7.908 1.00 3.01 C ATOM 0 H ALA A 2 4.280 -1.903 -9.735 1.00 3.24 H new ATOM 0 HA ALA A 2 2.004 -1.422 -7.902 1.00 74.20 H new ATOM 0 HB1 ALA A 2 3.035 0.796 -7.543 1.00 3.01 H new ATOM 0 HB2 ALA A 2 4.128 -0.526 -7.067 1.00 3.01 H new ATOM 0 HB3 ALA A 2 4.385 0.331 -8.606 1.00 3.01 H new ATOM 28 N ALA A 3 1.574 -1.145 -10.744 1.00 50.31 N ATOM 29 CA ALA A 3 0.837 -0.618 -11.886 1.00 14.33 C ATOM 30 C ALA A 3 -0.668 -0.726 -11.665 1.00 33.52 C ATOM 31 O ALA A 3 -1.165 -1.753 -11.200 1.00 45.32 O ATOM 32 CB ALA A 3 1.240 -1.349 -13.157 1.00 74.25 C ATOM 0 H ALA A 3 1.750 -2.149 -10.782 1.00 50.31 H new ATOM 0 HA ALA A 3 1.087 0.438 -11.993 1.00 14.33 H new ATOM 0 HB1 ALA A 3 0.682 -0.945 -14.002 1.00 74.25 H new ATOM 0 HB2 ALA A 3 2.308 -1.215 -13.331 1.00 74.25 H new ATOM 0 HB3 ALA A 3 1.020 -2.411 -13.051 1.00 74.25 H new ATOM 38 N SER A 4 -1.389 0.339 -12.000 1.00 35.40 N ATOM 39 CA SER A 4 -2.838 0.364 -11.834 1.00 1.02 C ATOM 40 C SER A 4 -3.416 1.693 -12.310 1.00 51.03 C ATOM 41 O SER A 4 -3.331 2.705 -11.615 1.00 15.32 O ATOM 42 CB SER A 4 -3.209 0.130 -10.368 1.00 65.00 C ATOM 43 OG SER A 4 -3.705 -1.183 -10.171 1.00 3.43 O ATOM 0 H SER A 4 -0.994 1.196 -12.388 1.00 35.40 H new ATOM 0 HA SER A 4 -3.262 -0.436 -12.441 1.00 1.02 H new ATOM 0 HB2 SER A 4 -2.334 0.290 -9.738 1.00 65.00 H new ATOM 0 HB3 SER A 4 -3.961 0.856 -10.059 1.00 65.00 H new ATOM 0 HG SER A 4 -3.040 -1.834 -10.479 1.00 3.43 H new ATOM 49 N VAL A 5 -4.004 1.682 -13.502 1.00 74.23 N ATOM 50 CA VAL A 5 -4.598 2.885 -14.073 1.00 72.12 C ATOM 51 C VAL A 5 -6.063 3.018 -13.673 1.00 32.22 C ATOM 52 O VAL A 5 -6.763 2.020 -13.503 1.00 2.04 O ATOM 53 CB VAL A 5 -4.495 2.887 -15.610 1.00 32.20 C ATOM 54 CG1 VAL A 5 -3.089 2.511 -16.052 1.00 1.35 C ATOM 55 CG2 VAL A 5 -5.523 1.941 -16.213 1.00 43.15 C ATOM 0 H VAL A 5 -4.082 0.853 -14.091 1.00 74.23 H new ATOM 0 HA VAL A 5 -4.038 3.732 -13.677 1.00 72.12 H new ATOM 0 HB VAL A 5 -4.706 3.894 -15.970 1.00 32.20 H new ATOM 0 HG11 VAL A 5 -3.036 2.518 -17.141 1.00 1.35 H new ATOM 0 HG12 VAL A 5 -2.376 3.231 -15.649 1.00 1.35 H new ATOM 0 HG13 VAL A 5 -2.846 1.515 -15.683 1.00 1.35 H new ATOM 0 HG21 VAL A 5 -5.437 1.954 -17.299 1.00 43.15 H new ATOM 0 HG22 VAL A 5 -5.345 0.930 -15.847 1.00 43.15 H new ATOM 0 HG23 VAL A 5 -6.525 2.260 -15.925 1.00 43.15 H new ATOM 65 N GLU A 6 -6.520 4.257 -13.525 1.00 14.35 N ATOM 66 CA GLU A 6 -7.903 4.520 -13.144 1.00 12.24 C ATOM 67 C GLU A 6 -8.375 5.862 -13.698 1.00 25.43 C ATOM 68 O GLU A 6 -7.580 6.696 -14.131 1.00 52.51 O ATOM 69 CB GLU A 6 -8.047 4.506 -11.620 1.00 54.23 C ATOM 70 CG GLU A 6 -8.700 3.244 -11.082 1.00 63.23 C ATOM 71 CD GLU A 6 -7.689 2.168 -10.734 1.00 13.12 C ATOM 72 OE1 GLU A 6 -7.999 0.975 -10.937 1.00 55.55 O ATOM 73 OE2 GLU A 6 -6.589 2.518 -10.258 1.00 15.24 O ATOM 0 H GLU A 6 -5.954 5.094 -13.663 1.00 14.35 H new ATOM 0 HA GLU A 6 -8.526 3.732 -13.568 1.00 12.24 H new ATOM 0 HB2 GLU A 6 -7.061 4.615 -11.169 1.00 54.23 H new ATOM 0 HB3 GLU A 6 -8.636 5.370 -11.311 1.00 54.23 H new ATOM 0 HG2 GLU A 6 -9.283 3.491 -10.195 1.00 63.23 H new ATOM 0 HG3 GLU A 6 -9.398 2.856 -11.824 1.00 63.23 H new ATOM 80 N PRO A 7 -9.699 6.074 -13.685 1.00 2.35 N ATOM 81 CA PRO A 7 -10.307 7.312 -14.182 1.00 3.01 C ATOM 82 C PRO A 7 -10.007 8.507 -13.283 1.00 70.03 C ATOM 83 O PRO A 7 -10.161 8.433 -12.064 1.00 14.20 O ATOM 84 CB PRO A 7 -11.805 6.999 -14.174 1.00 12.42 C ATOM 85 CG PRO A 7 -11.966 5.941 -13.138 1.00 23.11 C ATOM 86 CD PRO A 7 -10.705 5.123 -13.183 1.00 4.14 C ATOM 0 HA PRO A 7 -9.921 7.591 -15.163 1.00 3.01 H new ATOM 0 HB2 PRO A 7 -12.393 7.884 -13.931 1.00 12.42 H new ATOM 0 HB3 PRO A 7 -12.142 6.651 -15.151 1.00 12.42 H new ATOM 0 HG2 PRO A 7 -12.111 6.380 -12.151 1.00 23.11 H new ATOM 0 HG3 PRO A 7 -12.840 5.323 -13.344 1.00 23.11 H new ATOM 0 HD2 PRO A 7 -10.439 4.740 -12.198 1.00 4.14 H new ATOM 0 HD3 PRO A 7 -10.808 4.262 -13.843 1.00 4.14 H new ATOM 94 N TYR A 8 -9.579 9.607 -13.893 1.00 24.33 N ATOM 95 CA TYR A 8 -9.255 10.817 -13.147 1.00 14.20 C ATOM 96 C TYR A 8 -10.511 11.641 -12.874 1.00 65.53 C ATOM 97 O TYR A 8 -11.628 11.193 -13.131 1.00 31.12 O ATOM 98 CB TYR A 8 -8.237 11.659 -13.917 1.00 41.32 C ATOM 99 CG TYR A 8 -6.947 11.889 -13.163 1.00 0.23 C ATOM 100 CD1 TYR A 8 -6.308 13.123 -13.200 1.00 61.41 C ATOM 101 CD2 TYR A 8 -6.367 10.873 -12.413 1.00 43.43 C ATOM 102 CE1 TYR A 8 -5.129 13.337 -12.513 1.00 2.31 C ATOM 103 CE2 TYR A 8 -5.189 11.079 -11.722 1.00 3.52 C ATOM 104 CZ TYR A 8 -4.574 12.313 -11.775 1.00 25.11 C ATOM 105 OH TYR A 8 -3.399 12.522 -11.089 1.00 32.34 O ATOM 0 H TYR A 8 -9.448 9.685 -14.902 1.00 24.33 H new ATOM 0 HA TYR A 8 -8.822 10.520 -12.192 1.00 14.20 H new ATOM 0 HB2 TYR A 8 -8.012 11.166 -14.863 1.00 41.32 H new ATOM 0 HB3 TYR A 8 -8.684 12.623 -14.158 1.00 41.32 H new ATOM 0 HD1 TYR A 8 -6.741 13.928 -13.776 1.00 61.41 H new ATOM 0 HD2 TYR A 8 -6.846 9.906 -12.370 1.00 43.43 H new ATOM 0 HE1 TYR A 8 -4.644 14.301 -12.554 1.00 2.31 H new ATOM 0 HE2 TYR A 8 -4.752 10.279 -11.143 1.00 3.52 H new ATOM 0 HH TYR A 8 -3.339 13.463 -10.822 1.00 32.34 H new ATOM 115 N SER A 9 -10.317 12.848 -12.353 1.00 23.31 N ATOM 116 CA SER A 9 -11.432 13.734 -12.042 1.00 0.12 C ATOM 117 C SER A 9 -10.932 15.049 -11.452 1.00 14.50 C ATOM 118 O SER A 9 -9.820 15.125 -10.930 1.00 12.55 O ATOM 119 CB SER A 9 -12.393 13.056 -11.063 1.00 63.44 C ATOM 120 OG SER A 9 -12.253 13.590 -9.758 1.00 55.35 O ATOM 0 H SER A 9 -9.398 13.235 -12.137 1.00 23.31 H new ATOM 0 HA SER A 9 -11.962 13.949 -12.970 1.00 0.12 H new ATOM 0 HB2 SER A 9 -13.419 13.189 -11.405 1.00 63.44 H new ATOM 0 HB3 SER A 9 -12.200 11.983 -11.043 1.00 63.44 H new ATOM 0 HG SER A 9 -12.879 13.141 -9.152 1.00 55.35 H new ATOM 126 N ASP A 10 -11.762 16.083 -11.540 1.00 35.22 N ATOM 127 CA ASP A 10 -11.407 17.396 -11.014 1.00 70.14 C ATOM 128 C ASP A 10 -10.897 17.288 -9.581 1.00 34.24 C ATOM 129 O ASP A 10 -9.886 17.892 -9.224 1.00 34.34 O ATOM 130 CB ASP A 10 -12.613 18.335 -11.071 1.00 20.03 C ATOM 131 CG ASP A 10 -13.897 17.655 -10.636 1.00 4.50 C ATOM 132 OD1 ASP A 10 -14.114 17.524 -9.413 1.00 51.00 O ATOM 133 OD2 ASP A 10 -14.684 17.256 -11.519 1.00 32.14 O ATOM 0 H ASP A 10 -12.685 16.037 -11.971 1.00 35.22 H new ATOM 0 HA ASP A 10 -10.609 17.805 -11.634 1.00 70.14 H new ATOM 0 HB2 ASP A 10 -12.428 19.199 -10.432 1.00 20.03 H new ATOM 0 HB3 ASP A 10 -12.730 18.710 -12.088 1.00 20.03 H new ATOM 138 N ALA A 11 -11.605 16.515 -8.763 1.00 52.11 N ATOM 139 CA ALA A 11 -11.224 16.327 -7.369 1.00 11.22 C ATOM 140 C ALA A 11 -10.167 15.237 -7.231 1.00 4.31 C ATOM 141 O ALA A 11 -9.512 15.122 -6.195 1.00 73.21 O ATOM 142 CB ALA A 11 -12.447 15.989 -6.529 1.00 25.44 C ATOM 0 H ALA A 11 -12.445 16.009 -9.042 1.00 52.11 H new ATOM 0 HA ALA A 11 -10.794 17.261 -7.006 1.00 11.22 H new ATOM 0 HB1 ALA A 11 -12.148 15.851 -5.490 1.00 25.44 H new ATOM 0 HB2 ALA A 11 -13.169 16.803 -6.594 1.00 25.44 H new ATOM 0 HB3 ALA A 11 -12.901 15.070 -6.901 1.00 25.44 H new ATOM 148 N ALA A 12 -10.005 14.440 -8.282 1.00 31.45 N ATOM 149 CA ALA A 12 -9.026 13.360 -8.277 1.00 60.25 C ATOM 150 C ALA A 12 -7.626 13.887 -8.571 1.00 3.30 C ATOM 151 O ALA A 12 -6.646 13.444 -7.971 1.00 60.25 O ATOM 152 CB ALA A 12 -9.413 12.293 -9.290 1.00 71.55 C ATOM 0 H ALA A 12 -10.539 14.522 -9.147 1.00 31.45 H new ATOM 0 HA ALA A 12 -9.017 12.915 -7.282 1.00 60.25 H new ATOM 0 HB1 ALA A 12 -8.673 11.492 -9.276 1.00 71.55 H new ATOM 0 HB2 ALA A 12 -10.392 11.887 -9.035 1.00 71.55 H new ATOM 0 HB3 ALA A 12 -9.451 12.734 -10.286 1.00 71.55 H new ATOM 158 N PHE A 13 -7.538 14.836 -9.497 1.00 40.14 N ATOM 159 CA PHE A 13 -6.257 15.423 -9.872 1.00 24.03 C ATOM 160 C PHE A 13 -5.492 15.892 -8.637 1.00 41.03 C ATOM 161 O PHE A 13 -4.261 15.875 -8.611 1.00 43.42 O ATOM 162 CB PHE A 13 -6.470 16.597 -10.830 1.00 64.40 C ATOM 163 CG PHE A 13 -5.421 16.694 -11.901 1.00 73.32 C ATOM 164 CD1 PHE A 13 -5.760 16.544 -13.236 1.00 71.23 C ATOM 165 CD2 PHE A 13 -4.097 16.934 -11.573 1.00 2.30 C ATOM 166 CE1 PHE A 13 -4.798 16.633 -14.225 1.00 21.04 C ATOM 167 CE2 PHE A 13 -3.130 17.025 -12.557 1.00 34.11 C ATOM 168 CZ PHE A 13 -3.481 16.873 -13.884 1.00 71.22 C ATOM 0 H PHE A 13 -8.339 15.215 -10.002 1.00 40.14 H new ATOM 0 HA PHE A 13 -5.667 14.656 -10.374 1.00 24.03 H new ATOM 0 HB2 PHE A 13 -7.449 16.500 -11.299 1.00 64.40 H new ATOM 0 HB3 PHE A 13 -6.481 17.525 -10.258 1.00 64.40 H new ATOM 0 HD1 PHE A 13 -6.788 16.355 -13.507 1.00 71.23 H new ATOM 0 HD2 PHE A 13 -3.817 17.051 -10.537 1.00 2.30 H new ATOM 0 HE1 PHE A 13 -5.076 16.515 -15.262 1.00 21.04 H new ATOM 0 HE2 PHE A 13 -2.101 17.215 -12.288 1.00 34.11 H new ATOM 0 HZ PHE A 13 -2.727 16.942 -14.654 1.00 71.22 H new ATOM 178 N THR A 14 -6.231 16.311 -7.615 1.00 3.43 N ATOM 179 CA THR A 14 -5.624 16.787 -6.378 1.00 31.12 C ATOM 180 C THR A 14 -5.294 15.627 -5.446 1.00 34.24 C ATOM 181 O THR A 14 -4.202 15.563 -4.883 1.00 20.04 O ATOM 182 CB THR A 14 -6.549 17.775 -5.642 1.00 61.11 C ATOM 183 OG1 THR A 14 -7.919 17.430 -5.876 1.00 40.40 O ATOM 184 CG2 THR A 14 -6.293 19.202 -6.104 1.00 75.31 C ATOM 0 H THR A 14 -7.251 16.330 -7.619 1.00 3.43 H new ATOM 0 HA THR A 14 -4.703 17.300 -6.655 1.00 31.12 H new ATOM 0 HB THR A 14 -6.337 17.712 -4.575 1.00 61.11 H new ATOM 0 HG1 THR A 14 -8.028 16.459 -5.805 1.00 40.40 H new ATOM 0 HG21 THR A 14 -6.958 19.882 -5.571 1.00 75.31 H new ATOM 0 HG22 THR A 14 -5.257 19.471 -5.898 1.00 75.31 H new ATOM 0 HG23 THR A 14 -6.481 19.277 -7.175 1.00 75.31 H new ATOM 192 N GLN A 15 -6.245 14.712 -5.288 1.00 34.30 N ATOM 193 CA GLN A 15 -6.054 13.553 -4.423 1.00 55.42 C ATOM 194 C GLN A 15 -4.859 12.724 -4.881 1.00 34.44 C ATOM 195 O GLN A 15 -4.276 11.974 -4.098 1.00 43.41 O ATOM 196 CB GLN A 15 -7.316 12.688 -4.409 1.00 23.04 C ATOM 197 CG GLN A 15 -7.264 11.520 -5.381 1.00 4.34 C ATOM 198 CD GLN A 15 -8.548 10.714 -5.394 1.00 44.50 C ATOM 199 OE1 GLN A 15 -8.523 9.485 -5.331 1.00 71.01 O ATOM 200 NE2 GLN A 15 -9.679 11.405 -5.476 1.00 71.52 N ATOM 0 H GLN A 15 -7.155 14.750 -5.747 1.00 34.30 H new ATOM 0 HA GLN A 15 -5.857 13.912 -3.413 1.00 55.42 H new ATOM 0 HB2 GLN A 15 -7.472 12.304 -3.401 1.00 23.04 H new ATOM 0 HB3 GLN A 15 -8.177 13.312 -4.649 1.00 23.04 H new ATOM 0 HG2 GLN A 15 -7.065 11.896 -6.385 1.00 4.34 H new ATOM 0 HG3 GLN A 15 -6.433 10.867 -5.115 1.00 4.34 H new ATOM 0 HE21 GLN A 15 -9.652 12.423 -5.526 1.00 71.52 H new ATOM 0 HE22 GLN A 15 -10.575 10.917 -5.489 1.00 71.52 H new ATOM 209 N ALA A 16 -4.501 12.862 -6.153 1.00 12.41 N ATOM 210 CA ALA A 16 -3.375 12.127 -6.714 1.00 23.11 C ATOM 211 C ALA A 16 -2.048 12.726 -6.261 1.00 44.44 C ATOM 212 O ALA A 16 -1.113 12.001 -5.921 1.00 14.33 O ATOM 213 CB ALA A 16 -3.458 12.111 -8.233 1.00 55.40 C ATOM 0 H ALA A 16 -4.975 13.477 -6.815 1.00 12.41 H new ATOM 0 HA ALA A 16 -3.425 11.101 -6.348 1.00 23.11 H new ATOM 0 HB1 ALA A 16 -2.610 11.558 -8.638 1.00 55.40 H new ATOM 0 HB2 ALA A 16 -4.386 11.629 -8.542 1.00 55.40 H new ATOM 0 HB3 ALA A 16 -3.438 13.134 -8.609 1.00 55.40 H new ATOM 219 N GLN A 17 -1.972 14.053 -6.262 1.00 12.33 N ATOM 220 CA GLN A 17 -0.758 14.749 -5.852 1.00 40.12 C ATOM 221 C GLN A 17 -0.725 14.943 -4.340 1.00 14.11 C ATOM 222 O GLN A 17 0.328 15.208 -3.761 1.00 14.11 O ATOM 223 CB GLN A 17 -0.660 16.105 -6.554 1.00 72.54 C ATOM 224 CG GLN A 17 -1.622 17.145 -6.005 1.00 10.45 C ATOM 225 CD GLN A 17 -1.468 18.495 -6.677 1.00 55.15 C ATOM 226 OE1 GLN A 17 -2.324 18.913 -7.458 1.00 10.50 O ATOM 227 NE2 GLN A 17 -0.374 19.185 -6.378 1.00 12.21 N ATOM 0 H GLN A 17 -2.736 14.667 -6.542 1.00 12.33 H new ATOM 0 HA GLN A 17 0.096 14.136 -6.140 1.00 40.12 H new ATOM 0 HB2 GLN A 17 0.359 16.480 -6.461 1.00 72.54 H new ATOM 0 HB3 GLN A 17 -0.854 15.969 -7.618 1.00 72.54 H new ATOM 0 HG2 GLN A 17 -2.645 16.793 -6.136 1.00 10.45 H new ATOM 0 HG3 GLN A 17 -1.458 17.256 -4.933 1.00 10.45 H new ATOM 0 HE21 GLN A 17 0.309 18.800 -5.726 1.00 12.21 H new ATOM 0 HE22 GLN A 17 -0.217 20.100 -6.801 1.00 12.21 H new ATOM 236 N ALA A 18 -1.886 14.810 -3.706 1.00 61.50 N ATOM 237 CA ALA A 18 -1.990 14.969 -2.261 1.00 24.52 C ATOM 238 C ALA A 18 -1.664 13.665 -1.540 1.00 62.33 C ATOM 239 O ALA A 18 -1.795 13.569 -0.320 1.00 51.11 O ATOM 240 CB ALA A 18 -3.382 15.450 -1.881 1.00 73.34 C ATOM 0 H ALA A 18 -2.767 14.593 -4.171 1.00 61.50 H new ATOM 0 HA ALA A 18 -1.262 15.718 -1.950 1.00 24.52 H new ATOM 0 HB1 ALA A 18 -3.445 15.564 -0.799 1.00 73.34 H new ATOM 0 HB2 ALA A 18 -3.578 16.410 -2.359 1.00 73.34 H new ATOM 0 HB3 ALA A 18 -4.122 14.721 -2.212 1.00 73.34 H new ATOM 246 N SER A 19 -1.239 12.663 -2.303 1.00 60.52 N ATOM 247 CA SER A 19 -0.899 11.362 -1.737 1.00 43.35 C ATOM 248 C SER A 19 0.613 11.210 -1.597 1.00 72.44 C ATOM 249 O SER A 19 1.106 10.166 -1.171 1.00 52.21 O ATOM 250 CB SER A 19 -1.457 10.239 -2.614 1.00 11.33 C ATOM 251 OG SER A 19 -1.812 9.111 -1.833 1.00 3.45 O ATOM 0 H SER A 19 -1.122 12.727 -3.314 1.00 60.52 H new ATOM 0 HA SER A 19 -1.347 11.296 -0.746 1.00 43.35 H new ATOM 0 HB2 SER A 19 -2.331 10.598 -3.158 1.00 11.33 H new ATOM 0 HB3 SER A 19 -0.714 9.951 -3.358 1.00 11.33 H new ATOM 0 HG SER A 19 -2.167 8.408 -2.416 1.00 3.45 H new ATOM 257 N GLY A 20 1.344 12.259 -1.960 1.00 53.52 N ATOM 258 CA GLY A 20 2.792 12.223 -1.868 1.00 75.13 C ATOM 259 C GLY A 20 3.387 11.022 -2.576 1.00 22.24 C ATOM 260 O GLY A 20 4.485 10.578 -2.242 1.00 22.15 O ATOM 0 H GLY A 20 0.959 13.134 -2.316 1.00 53.52 H new ATOM 0 HA2 GLY A 20 3.203 13.136 -2.299 1.00 75.13 H new ATOM 0 HA3 GLY A 20 3.086 12.205 -0.819 1.00 75.13 H new ATOM 264 N ALA A 21 2.661 10.493 -3.555 1.00 14.32 N ATOM 265 CA ALA A 21 3.124 9.337 -4.311 1.00 71.51 C ATOM 266 C ALA A 21 3.172 9.641 -5.805 1.00 22.54 C ATOM 267 O ALA A 21 2.569 10.599 -6.287 1.00 45.43 O ATOM 268 CB ALA A 21 2.227 8.137 -4.043 1.00 52.24 C ATOM 0 H ALA A 21 1.749 10.847 -3.843 1.00 14.32 H new ATOM 0 HA ALA A 21 4.136 9.101 -3.982 1.00 71.51 H new ATOM 0 HB1 ALA A 21 2.585 7.280 -4.614 1.00 52.24 H new ATOM 0 HB2 ALA A 21 2.247 7.898 -2.980 1.00 52.24 H new ATOM 0 HB3 ALA A 21 1.206 8.372 -4.343 1.00 52.24 H new ATOM 274 N PRO A 22 3.907 8.806 -6.556 1.00 14.44 N ATOM 275 CA PRO A 22 4.051 8.966 -8.006 1.00 1.24 C ATOM 276 C PRO A 22 2.759 8.659 -8.754 1.00 53.33 C ATOM 277 O PRO A 22 2.176 7.587 -8.593 1.00 53.12 O ATOM 278 CB PRO A 22 5.134 7.947 -8.369 1.00 2.34 C ATOM 279 CG PRO A 22 5.056 6.913 -7.299 1.00 15.53 C ATOM 280 CD PRO A 22 4.652 7.643 -6.047 1.00 60.31 C ATOM 0 HA PRO A 22 4.301 9.991 -8.280 1.00 1.24 H new ATOM 0 HB2 PRO A 22 4.955 7.513 -9.353 1.00 2.34 H new ATOM 0 HB3 PRO A 22 6.120 8.411 -8.400 1.00 2.34 H new ATOM 0 HG2 PRO A 22 4.329 6.142 -7.553 1.00 15.53 H new ATOM 0 HG3 PRO A 22 6.016 6.414 -7.167 1.00 15.53 H new ATOM 0 HD2 PRO A 22 4.033 7.021 -5.401 1.00 60.31 H new ATOM 0 HD3 PRO A 22 5.520 7.947 -5.461 1.00 60.31 H new ATOM 288 N VAL A 23 2.316 9.607 -9.574 1.00 54.31 N ATOM 289 CA VAL A 23 1.092 9.437 -10.349 1.00 45.32 C ATOM 290 C VAL A 23 1.144 10.245 -11.641 1.00 52.11 C ATOM 291 O VAL A 23 1.369 11.456 -11.621 1.00 14.14 O ATOM 292 CB VAL A 23 -0.148 9.861 -9.541 1.00 0.25 C ATOM 293 CG1 VAL A 23 -1.405 9.742 -10.389 1.00 30.54 C ATOM 294 CG2 VAL A 23 -0.268 9.028 -8.274 1.00 31.52 C ATOM 0 H VAL A 23 2.786 10.500 -9.719 1.00 54.31 H new ATOM 0 HA VAL A 23 1.014 8.377 -10.589 1.00 45.32 H new ATOM 0 HB VAL A 23 -0.032 10.906 -9.252 1.00 0.25 H new ATOM 0 HG11 VAL A 23 -2.271 10.046 -9.801 1.00 30.54 H new ATOM 0 HG12 VAL A 23 -1.316 10.386 -11.264 1.00 30.54 H new ATOM 0 HG13 VAL A 23 -1.530 8.708 -10.711 1.00 30.54 H new ATOM 0 HG21 VAL A 23 -1.150 9.341 -7.715 1.00 31.52 H new ATOM 0 HG22 VAL A 23 -0.361 7.975 -8.539 1.00 31.52 H new ATOM 0 HG23 VAL A 23 0.621 9.171 -7.659 1.00 31.52 H new ATOM 304 N LEU A 24 0.934 9.568 -12.764 1.00 73.14 N ATOM 305 CA LEU A 24 0.955 10.223 -14.068 1.00 22.41 C ATOM 306 C LEU A 24 -0.461 10.500 -14.562 1.00 32.35 C ATOM 307 O LEU A 24 -1.400 9.777 -14.225 1.00 43.32 O ATOM 308 CB LEU A 24 1.701 9.356 -15.084 1.00 21.42 C ATOM 309 CG LEU A 24 2.566 10.104 -16.098 1.00 42.32 C ATOM 310 CD1 LEU A 24 4.037 9.781 -15.887 1.00 2.12 C ATOM 311 CD2 LEU A 24 2.141 9.760 -17.518 1.00 44.43 C ATOM 0 H LEU A 24 0.747 8.566 -12.799 1.00 73.14 H new ATOM 0 HA LEU A 24 1.475 11.175 -13.960 1.00 22.41 H new ATOM 0 HB2 LEU A 24 2.337 8.658 -14.539 1.00 21.42 H new ATOM 0 HB3 LEU A 24 0.969 8.760 -15.630 1.00 21.42 H new ATOM 0 HG LEU A 24 2.425 11.174 -15.947 1.00 42.32 H new ATOM 0 HD11 LEU A 24 4.637 10.323 -16.618 1.00 2.12 H new ATOM 0 HD12 LEU A 24 4.334 10.079 -14.881 1.00 2.12 H new ATOM 0 HD13 LEU A 24 4.196 8.710 -16.010 1.00 2.12 H new ATOM 0 HD21 LEU A 24 2.768 10.302 -18.227 1.00 44.43 H new ATOM 0 HD22 LEU A 24 2.252 8.688 -17.681 1.00 44.43 H new ATOM 0 HD23 LEU A 24 1.099 10.044 -17.665 1.00 44.43 H new ATOM 323 N VAL A 25 -0.608 11.550 -15.363 1.00 72.34 N ATOM 324 CA VAL A 25 -1.909 11.921 -15.907 1.00 34.54 C ATOM 325 C VAL A 25 -1.877 11.962 -17.430 1.00 73.12 C ATOM 326 O VAL A 25 -0.947 12.503 -18.027 1.00 44.23 O ATOM 327 CB VAL A 25 -2.369 13.292 -15.376 1.00 61.34 C ATOM 328 CG1 VAL A 25 -3.808 13.568 -15.786 1.00 24.13 C ATOM 329 CG2 VAL A 25 -2.214 13.357 -13.864 1.00 73.24 C ATOM 0 H VAL A 25 0.158 12.159 -15.650 1.00 72.34 H new ATOM 0 HA VAL A 25 -2.617 11.158 -15.583 1.00 34.54 H new ATOM 0 HB VAL A 25 -1.737 14.064 -15.816 1.00 61.34 H new ATOM 0 HG11 VAL A 25 -4.116 14.541 -15.402 1.00 24.13 H new ATOM 0 HG12 VAL A 25 -3.883 13.567 -16.873 1.00 24.13 H new ATOM 0 HG13 VAL A 25 -4.458 12.794 -15.377 1.00 24.13 H new ATOM 0 HG21 VAL A 25 -2.544 14.332 -13.506 1.00 73.24 H new ATOM 0 HG22 VAL A 25 -2.820 12.577 -13.402 1.00 73.24 H new ATOM 0 HG23 VAL A 25 -1.167 13.208 -13.599 1.00 73.24 H new ATOM 339 N ASP A 26 -2.900 11.387 -18.054 1.00 23.03 N ATOM 340 CA ASP A 26 -2.990 11.359 -19.509 1.00 11.20 C ATOM 341 C ASP A 26 -4.441 11.475 -19.966 1.00 10.44 C ATOM 342 O ASP A 26 -5.237 10.555 -19.779 1.00 12.10 O ATOM 343 CB ASP A 26 -2.372 10.071 -20.055 1.00 51.22 C ATOM 344 CG ASP A 26 -1.523 10.314 -21.287 1.00 64.22 C ATOM 345 OD1 ASP A 26 -0.543 9.566 -21.489 1.00 61.25 O ATOM 346 OD2 ASP A 26 -1.838 11.251 -22.050 1.00 2.05 O ATOM 0 H ASP A 26 -3.678 10.934 -17.575 1.00 23.03 H new ATOM 0 HA ASP A 26 -2.436 12.213 -19.899 1.00 11.20 H new ATOM 0 HB2 ASP A 26 -1.760 9.608 -19.281 1.00 51.22 H new ATOM 0 HB3 ASP A 26 -3.166 9.365 -20.298 1.00 51.22 H new ATOM 351 N VAL A 27 -4.778 12.613 -20.564 1.00 55.32 N ATOM 352 CA VAL A 27 -6.133 12.850 -21.048 1.00 15.23 C ATOM 353 C VAL A 27 -6.394 12.094 -22.346 1.00 0.05 C ATOM 354 O VAL A 27 -5.538 12.044 -23.229 1.00 73.35 O ATOM 355 CB VAL A 27 -6.392 14.351 -21.280 1.00 32.32 C ATOM 356 CG1 VAL A 27 -7.884 14.623 -21.398 1.00 41.55 C ATOM 357 CG2 VAL A 27 -5.778 15.176 -20.159 1.00 53.42 C ATOM 0 H VAL A 27 -4.131 13.385 -20.725 1.00 55.32 H new ATOM 0 HA VAL A 27 -6.812 12.486 -20.277 1.00 15.23 H new ATOM 0 HB VAL A 27 -5.919 14.644 -22.217 1.00 32.32 H new ATOM 0 HG11 VAL A 27 -8.048 15.688 -21.562 1.00 41.55 H new ATOM 0 HG12 VAL A 27 -8.291 14.060 -22.238 1.00 41.55 H new ATOM 0 HG13 VAL A 27 -8.384 14.316 -20.479 1.00 41.55 H new ATOM 0 HG21 VAL A 27 -5.970 16.234 -20.338 1.00 53.42 H new ATOM 0 HG22 VAL A 27 -6.221 14.883 -19.207 1.00 53.42 H new ATOM 0 HG23 VAL A 27 -4.702 15.003 -20.127 1.00 53.42 H new ATOM 367 N TYR A 28 -7.581 11.507 -22.454 1.00 2.52 N ATOM 368 CA TYR A 28 -7.954 10.752 -23.643 1.00 71.44 C ATOM 369 C TYR A 28 -9.301 11.219 -24.186 1.00 13.34 C ATOM 370 O TYR A 28 -10.089 11.840 -23.472 1.00 22.53 O ATOM 371 CB TYR A 28 -8.011 9.256 -23.326 1.00 42.32 C ATOM 372 CG TYR A 28 -6.882 8.463 -23.945 1.00 31.11 C ATOM 373 CD1 TYR A 28 -7.138 7.315 -24.685 1.00 31.24 C ATOM 374 CD2 TYR A 28 -5.560 8.860 -23.789 1.00 51.41 C ATOM 375 CE1 TYR A 28 -6.110 6.586 -25.251 1.00 51.12 C ATOM 376 CE2 TYR A 28 -4.526 8.139 -24.353 1.00 60.12 C ATOM 377 CZ TYR A 28 -4.806 7.003 -25.083 1.00 60.51 C ATOM 378 OH TYR A 28 -3.779 6.280 -25.646 1.00 5.25 O ATOM 0 H TYR A 28 -8.301 11.540 -21.732 1.00 2.52 H new ATOM 0 HA TYR A 28 -7.195 10.927 -24.405 1.00 71.44 H new ATOM 0 HB2 TYR A 28 -7.988 9.121 -22.245 1.00 42.32 H new ATOM 0 HB3 TYR A 28 -8.961 8.854 -23.678 1.00 42.32 H new ATOM 0 HD1 TYR A 28 -8.158 6.987 -24.820 1.00 31.24 H new ATOM 0 HD2 TYR A 28 -5.337 9.748 -23.217 1.00 51.41 H new ATOM 0 HE1 TYR A 28 -6.326 5.695 -25.822 1.00 51.12 H new ATOM 0 HE2 TYR A 28 -3.504 8.463 -24.223 1.00 60.12 H new ATOM 0 HH TYR A 28 -3.003 6.294 -25.048 1.00 5.25 H new ATOM 388 N ALA A 29 -9.559 10.916 -25.454 1.00 1.23 N ATOM 389 CA ALA A 29 -10.811 11.302 -26.092 1.00 40.32 C ATOM 390 C ALA A 29 -11.406 10.141 -26.881 1.00 61.21 C ATOM 391 O ALA A 29 -10.784 9.087 -27.017 1.00 1.00 O ATOM 392 CB ALA A 29 -10.592 12.503 -27.001 1.00 63.31 C ATOM 0 H ALA A 29 -8.917 10.404 -26.060 1.00 1.23 H new ATOM 0 HA ALA A 29 -11.519 11.576 -25.310 1.00 40.32 H new ATOM 0 HB1 ALA A 29 -11.536 12.780 -27.471 1.00 63.31 H new ATOM 0 HB2 ALA A 29 -10.219 13.341 -26.413 1.00 63.31 H new ATOM 0 HB3 ALA A 29 -9.864 12.248 -27.771 1.00 63.31 H new ATOM 398 N ASP A 30 -12.613 10.340 -27.398 1.00 72.13 N ATOM 399 CA ASP A 30 -13.292 9.309 -28.174 1.00 72.32 C ATOM 400 C ASP A 30 -12.351 8.699 -29.209 1.00 13.31 C ATOM 401 O ASP A 30 -12.358 7.489 -29.431 1.00 21.50 O ATOM 402 CB ASP A 30 -14.525 9.891 -28.868 1.00 22.12 C ATOM 403 CG ASP A 30 -15.820 9.332 -28.312 1.00 61.22 C ATOM 404 OD1 ASP A 30 -16.721 10.133 -27.987 1.00 72.00 O ATOM 405 OD2 ASP A 30 -15.932 8.093 -28.203 1.00 54.14 O ATOM 0 H ASP A 30 -13.142 11.206 -27.294 1.00 72.13 H new ATOM 0 HA ASP A 30 -13.608 8.523 -27.488 1.00 72.32 H new ATOM 0 HB2 ASP A 30 -14.523 10.975 -28.757 1.00 22.12 H new ATOM 0 HB3 ASP A 30 -14.471 9.680 -29.936 1.00 22.12 H new ATOM 410 N TRP A 31 -11.545 9.546 -29.839 1.00 32.02 N ATOM 411 CA TRP A 31 -10.599 9.091 -30.851 1.00 72.53 C ATOM 412 C TRP A 31 -9.812 10.262 -31.427 1.00 40.41 C ATOM 413 O TRP A 31 -9.749 10.441 -32.644 1.00 43.31 O ATOM 414 CB TRP A 31 -11.335 8.355 -31.972 1.00 73.31 C ATOM 415 CG TRP A 31 -12.557 9.077 -32.454 1.00 61.45 C ATOM 416 CD1 TRP A 31 -12.702 10.425 -32.614 1.00 15.10 C ATOM 417 CD2 TRP A 31 -13.805 8.488 -32.838 1.00 4.32 C ATOM 418 NE1 TRP A 31 -13.966 10.711 -33.073 1.00 64.54 N ATOM 419 CE2 TRP A 31 -14.661 9.539 -33.220 1.00 0.52 C ATOM 420 CE3 TRP A 31 -14.281 7.176 -32.898 1.00 31.03 C ATOM 421 CZ2 TRP A 31 -15.965 9.317 -33.653 1.00 72.42 C ATOM 422 CZ3 TRP A 31 -15.576 6.956 -33.328 1.00 2.41 C ATOM 423 CH2 TRP A 31 -16.406 8.022 -33.702 1.00 25.22 C ATOM 0 H TRP A 31 -11.528 10.551 -29.667 1.00 32.02 H new ATOM 0 HA TRP A 31 -9.898 8.406 -30.375 1.00 72.53 H new ATOM 0 HB2 TRP A 31 -10.653 8.210 -32.810 1.00 73.31 H new ATOM 0 HB3 TRP A 31 -11.622 7.365 -31.619 1.00 73.31 H new ATOM 0 HD1 TRP A 31 -11.936 11.159 -32.410 1.00 15.10 H new ATOM 0 HE1 TRP A 31 -14.328 11.644 -33.272 1.00 64.54 H new ATOM 0 HE3 TRP A 31 -13.648 6.348 -32.613 1.00 31.03 H new ATOM 0 HZ2 TRP A 31 -16.606 10.137 -33.940 1.00 72.42 H new ATOM 0 HZ3 TRP A 31 -15.955 5.946 -33.377 1.00 2.41 H new ATOM 0 HH2 TRP A 31 -17.413 7.818 -34.035 1.00 25.22 H new ATOM 434 N CYS A 32 -9.214 11.057 -30.547 1.00 2.12 N ATOM 435 CA CYS A 32 -8.431 12.213 -30.969 1.00 5.02 C ATOM 436 C CYS A 32 -7.064 11.782 -31.491 1.00 41.34 C ATOM 437 O CYS A 32 -6.612 10.660 -31.266 1.00 65.44 O ATOM 438 CB CYS A 32 -8.260 13.192 -29.806 1.00 71.30 C ATOM 439 SG CYS A 32 -9.494 14.513 -29.766 1.00 32.51 S ATOM 0 H CYS A 32 -9.256 10.922 -29.537 1.00 2.12 H new ATOM 0 HA CYS A 32 -8.969 12.710 -31.777 1.00 5.02 H new ATOM 0 HB2 CYS A 32 -8.306 12.638 -28.869 1.00 71.30 H new ATOM 0 HB3 CYS A 32 -7.267 13.638 -29.864 1.00 71.30 H new ATOM 0 HG CYS A 32 -8.928 15.645 -30.063 1.00 32.51 H new ATOM 445 N PRO A 33 -6.390 12.694 -32.208 1.00 1.22 N ATOM 446 CA PRO A 33 -5.066 12.431 -32.779 1.00 5.13 C ATOM 447 C PRO A 33 -3.983 12.328 -31.709 1.00 74.23 C ATOM 448 O PRO A 33 -2.961 11.672 -31.908 1.00 45.31 O ATOM 449 CB PRO A 33 -4.818 13.647 -33.675 1.00 4.24 C ATOM 450 CG PRO A 33 -5.652 14.730 -33.083 1.00 10.22 C ATOM 451 CD PRO A 33 -6.868 14.052 -32.515 1.00 54.43 C ATOM 0 HA PRO A 33 -5.033 11.479 -33.310 1.00 5.13 H new ATOM 0 HB2 PRO A 33 -3.763 13.921 -33.687 1.00 4.24 H new ATOM 0 HB3 PRO A 33 -5.106 13.444 -34.706 1.00 4.24 H new ATOM 0 HG2 PRO A 33 -5.104 15.264 -32.306 1.00 10.22 H new ATOM 0 HG3 PRO A 33 -5.932 15.464 -33.838 1.00 10.22 H new ATOM 0 HD2 PRO A 33 -7.232 14.561 -31.623 1.00 54.43 H new ATOM 0 HD3 PRO A 33 -7.690 14.036 -33.230 1.00 54.43 H new ATOM 459 N VAL A 34 -4.216 12.979 -30.574 1.00 22.11 N ATOM 460 CA VAL A 34 -3.261 12.959 -29.472 1.00 32.20 C ATOM 461 C VAL A 34 -3.267 11.608 -28.765 1.00 2.34 C ATOM 462 O VAL A 34 -2.218 10.990 -28.577 1.00 73.24 O ATOM 463 CB VAL A 34 -3.566 14.065 -28.445 1.00 14.22 C ATOM 464 CG1 VAL A 34 -2.556 14.032 -27.308 1.00 33.00 C ATOM 465 CG2 VAL A 34 -3.578 15.429 -29.119 1.00 31.11 C ATOM 0 H VAL A 34 -5.057 13.527 -30.393 1.00 22.11 H new ATOM 0 HA VAL A 34 -2.276 13.136 -29.903 1.00 32.20 H new ATOM 0 HB VAL A 34 -4.555 13.884 -28.025 1.00 14.22 H new ATOM 0 HG11 VAL A 34 -2.788 14.821 -26.592 1.00 33.00 H new ATOM 0 HG12 VAL A 34 -2.602 13.064 -26.809 1.00 33.00 H new ATOM 0 HG13 VAL A 34 -1.554 14.187 -27.707 1.00 33.00 H new ATOM 0 HG21 VAL A 34 -3.795 16.199 -28.379 1.00 31.11 H new ATOM 0 HG22 VAL A 34 -2.604 15.622 -29.568 1.00 31.11 H new ATOM 0 HG23 VAL A 34 -4.344 15.445 -29.894 1.00 31.11 H new ATOM 475 N CYS A 35 -4.453 11.156 -28.374 1.00 52.23 N ATOM 476 CA CYS A 35 -4.596 9.878 -27.687 1.00 21.24 C ATOM 477 C CYS A 35 -4.387 8.715 -28.651 1.00 50.25 C ATOM 478 O CYS A 35 -4.069 7.600 -28.238 1.00 2.02 O ATOM 479 CB CYS A 35 -5.977 9.776 -27.037 1.00 63.32 C ATOM 480 SG CYS A 35 -7.330 9.544 -28.213 1.00 54.34 S ATOM 0 H CYS A 35 -5.330 11.656 -28.521 1.00 52.23 H new ATOM 0 HA CYS A 35 -3.832 9.824 -26.911 1.00 21.24 H new ATOM 0 HB2 CYS A 35 -5.975 8.944 -26.333 1.00 63.32 H new ATOM 0 HB3 CYS A 35 -6.163 10.682 -26.460 1.00 63.32 H new ATOM 0 HG CYS A 35 -6.985 10.023 -29.371 1.00 54.34 H new ATOM 486 N LYS A 36 -4.570 8.982 -29.940 1.00 42.51 N ATOM 487 CA LYS A 36 -4.402 7.960 -30.965 1.00 72.55 C ATOM 488 C LYS A 36 -2.942 7.850 -31.391 1.00 44.24 C ATOM 489 O LYS A 36 -2.472 6.774 -31.762 1.00 53.11 O ATOM 490 CB LYS A 36 -5.276 8.278 -32.181 1.00 13.14 C ATOM 491 CG LYS A 36 -5.148 7.264 -33.304 1.00 53.55 C ATOM 492 CD LYS A 36 -5.834 7.747 -34.572 1.00 10.34 C ATOM 493 CE LYS A 36 -7.347 7.630 -34.466 1.00 2.11 C ATOM 494 NZ LYS A 36 -7.869 6.473 -35.244 1.00 53.24 N ATOM 0 H LYS A 36 -4.835 9.899 -30.299 1.00 42.51 H new ATOM 0 HA LYS A 36 -4.712 7.004 -30.542 1.00 72.55 H new ATOM 0 HB2 LYS A 36 -6.318 8.329 -31.866 1.00 13.14 H new ATOM 0 HB3 LYS A 36 -5.010 9.264 -32.561 1.00 13.14 H new ATOM 0 HG2 LYS A 36 -4.094 7.077 -33.508 1.00 53.55 H new ATOM 0 HG3 LYS A 36 -5.585 6.316 -32.991 1.00 53.55 H new ATOM 0 HD2 LYS A 36 -5.561 8.785 -34.762 1.00 10.34 H new ATOM 0 HD3 LYS A 36 -5.482 7.164 -35.423 1.00 10.34 H new ATOM 0 HE2 LYS A 36 -7.630 7.521 -33.419 1.00 2.11 H new ATOM 0 HE3 LYS A 36 -7.809 8.549 -34.828 1.00 2.11 H new ATOM 0 HZ1 LYS A 36 -8.903 6.427 -35.146 1.00 53.24 H new ATOM 0 HZ2 LYS A 36 -7.621 6.589 -36.247 1.00 53.24 H new ATOM 0 HZ3 LYS A 36 -7.448 5.593 -34.883 1.00 53.24 H new ATOM 508 N ARG A 37 -2.228 8.970 -31.334 1.00 61.13 N ATOM 509 CA ARG A 37 -0.821 8.999 -31.714 1.00 4.00 C ATOM 510 C ARG A 37 0.071 8.661 -30.523 1.00 30.42 C ATOM 511 O ARG A 37 1.200 8.202 -30.692 1.00 5.41 O ATOM 512 CB ARG A 37 -0.448 10.375 -32.269 1.00 14.35 C ATOM 513 CG ARG A 37 0.991 10.470 -32.746 1.00 44.43 C ATOM 514 CD ARG A 37 1.232 11.746 -33.538 1.00 64.04 C ATOM 515 NE ARG A 37 2.165 11.537 -34.642 1.00 63.33 N ATOM 516 CZ ARG A 37 2.551 12.500 -35.471 1.00 51.34 C ATOM 517 NH1 ARG A 37 2.087 13.733 -35.322 1.00 14.11 N ATOM 518 NH2 ARG A 37 3.403 12.232 -36.452 1.00 62.43 N ATOM 0 H ARG A 37 -2.601 9.869 -31.028 1.00 61.13 H new ATOM 0 HA ARG A 37 -0.665 8.248 -32.488 1.00 4.00 H new ATOM 0 HB2 ARG A 37 -1.113 10.615 -33.098 1.00 14.35 H new ATOM 0 HB3 ARG A 37 -0.616 11.126 -31.497 1.00 14.35 H new ATOM 0 HG2 ARG A 37 1.663 10.441 -31.888 1.00 44.43 H new ATOM 0 HG3 ARG A 37 1.228 9.605 -33.366 1.00 44.43 H new ATOM 0 HD2 ARG A 37 0.284 12.114 -33.930 1.00 64.04 H new ATOM 0 HD3 ARG A 37 1.623 12.517 -32.874 1.00 64.04 H new ATOM 0 HE ARG A 37 2.541 10.600 -34.784 1.00 63.33 H new ATOM 0 HH11 ARG A 37 1.432 13.944 -34.569 1.00 14.11 H new ATOM 0 HH12 ARG A 37 2.385 14.471 -35.960 1.00 14.11 H new ATOM 0 HH21 ARG A 37 3.763 11.285 -36.571 1.00 62.43 H new ATOM 0 HH22 ARG A 37 3.698 12.973 -37.088 1.00 62.43 H new ATOM 532 N GLN A 38 -0.445 8.890 -29.320 1.00 12.52 N ATOM 533 CA GLN A 38 0.305 8.611 -28.101 1.00 41.01 C ATOM 534 C GLN A 38 0.220 7.133 -27.736 1.00 60.44 C ATOM 535 O GLN A 38 1.063 6.615 -27.004 1.00 14.52 O ATOM 536 CB GLN A 38 -0.221 9.465 -26.946 1.00 33.51 C ATOM 537 CG GLN A 38 -1.506 8.932 -26.333 1.00 15.33 C ATOM 538 CD GLN A 38 -1.253 7.976 -25.184 1.00 3.31 C ATOM 539 OE1 GLN A 38 -1.225 6.759 -25.368 1.00 51.25 O ATOM 540 NE2 GLN A 38 -1.065 8.523 -23.989 1.00 15.45 N ATOM 0 H GLN A 38 -1.379 9.268 -29.163 1.00 12.52 H new ATOM 0 HA GLN A 38 1.350 8.862 -28.282 1.00 41.01 H new ATOM 0 HB2 GLN A 38 0.544 9.525 -26.172 1.00 33.51 H new ATOM 0 HB3 GLN A 38 -0.393 10.480 -27.304 1.00 33.51 H new ATOM 0 HG2 GLN A 38 -2.109 9.768 -25.979 1.00 15.33 H new ATOM 0 HG3 GLN A 38 -2.087 8.423 -27.102 1.00 15.33 H new ATOM 0 HE21 GLN A 38 -1.097 9.537 -23.882 1.00 15.45 H new ATOM 0 HE22 GLN A 38 -0.889 7.929 -23.178 1.00 15.45 H new ATOM 549 N GLU A 39 -0.803 6.459 -28.252 1.00 71.35 N ATOM 550 CA GLU A 39 -0.998 5.040 -27.979 1.00 61.43 C ATOM 551 C GLU A 39 0.198 4.224 -28.461 1.00 62.42 C ATOM 552 O GLU A 39 0.470 3.138 -27.948 1.00 74.12 O ATOM 553 CB GLU A 39 -2.276 4.538 -28.654 1.00 54.31 C ATOM 554 CG GLU A 39 -2.508 3.046 -28.487 1.00 21.00 C ATOM 555 CD GLU A 39 -3.978 2.694 -28.366 1.00 22.41 C ATOM 556 OE1 GLU A 39 -4.506 2.030 -29.283 1.00 43.42 O ATOM 557 OE2 GLU A 39 -4.600 3.081 -27.355 1.00 71.20 O ATOM 0 H GLU A 39 -1.509 6.873 -28.861 1.00 71.35 H new ATOM 0 HA GLU A 39 -1.092 4.914 -26.900 1.00 61.43 H new ATOM 0 HB2 GLU A 39 -3.129 5.078 -28.244 1.00 54.31 H new ATOM 0 HB3 GLU A 39 -2.231 4.773 -29.717 1.00 54.31 H new ATOM 0 HG2 GLU A 39 -2.081 2.518 -29.340 1.00 21.00 H new ATOM 0 HG3 GLU A 39 -1.980 2.697 -27.599 1.00 21.00 H new ATOM 564 N ARG A 40 0.909 4.755 -29.451 1.00 21.53 N ATOM 565 CA ARG A 40 2.075 4.076 -30.004 1.00 33.53 C ATOM 566 C ARG A 40 3.294 4.270 -29.106 1.00 74.24 C ATOM 567 O ARG A 40 4.176 3.414 -29.049 1.00 12.04 O ATOM 568 CB ARG A 40 2.375 4.597 -31.410 1.00 64.42 C ATOM 569 CG ARG A 40 3.579 3.934 -32.061 1.00 11.33 C ATOM 570 CD ARG A 40 3.453 2.419 -32.053 1.00 31.14 C ATOM 571 NE ARG A 40 4.586 1.772 -32.709 1.00 30.14 N ATOM 572 CZ ARG A 40 4.883 0.486 -32.562 1.00 63.54 C ATOM 573 NH1 ARG A 40 4.135 -0.287 -31.788 1.00 31.45 N ATOM 574 NH2 ARG A 40 5.931 -0.030 -33.192 1.00 70.35 N ATOM 0 H ARG A 40 0.698 5.653 -29.886 1.00 21.53 H new ATOM 0 HA ARG A 40 1.852 3.010 -30.059 1.00 33.53 H new ATOM 0 HB2 ARG A 40 1.500 4.441 -32.041 1.00 64.42 H new ATOM 0 HB3 ARG A 40 2.545 5.673 -31.361 1.00 64.42 H new ATOM 0 HG2 ARG A 40 3.679 4.286 -33.088 1.00 11.33 H new ATOM 0 HG3 ARG A 40 4.487 4.227 -31.534 1.00 11.33 H new ATOM 0 HD2 ARG A 40 3.380 2.067 -31.024 1.00 31.14 H new ATOM 0 HD3 ARG A 40 2.530 2.129 -32.555 1.00 31.14 H new ATOM 0 HE ARG A 40 5.182 2.339 -33.313 1.00 30.14 H new ATOM 0 HH11 ARG A 40 3.328 0.105 -31.303 1.00 31.45 H new ATOM 0 HH12 ARG A 40 4.366 -1.274 -31.677 1.00 31.45 H new ATOM 0 HH21 ARG A 40 6.509 0.561 -33.789 1.00 70.35 H new ATOM 0 HH22 ARG A 40 6.159 -1.018 -33.079 1.00 70.35 H new ATOM 588 N GLU A 41 3.335 5.401 -28.409 1.00 75.01 N ATOM 589 CA GLU A 41 4.446 5.707 -27.516 1.00 51.32 C ATOM 590 C GLU A 41 4.222 5.093 -26.138 1.00 34.44 C ATOM 591 O GLU A 41 5.090 5.159 -25.267 1.00 1.12 O ATOM 592 CB GLU A 41 4.624 7.222 -27.389 1.00 22.44 C ATOM 593 CG GLU A 41 5.309 7.857 -28.587 1.00 22.01 C ATOM 594 CD GLU A 41 6.798 8.048 -28.374 1.00 64.42 C ATOM 595 OE1 GLU A 41 7.392 8.899 -29.068 1.00 51.55 O ATOM 596 OE2 GLU A 41 7.370 7.346 -27.514 1.00 62.44 O ATOM 0 H GLU A 41 2.612 6.120 -28.445 1.00 75.01 H new ATOM 0 HA GLU A 41 5.351 5.276 -27.943 1.00 51.32 H new ATOM 0 HB2 GLU A 41 3.646 7.684 -27.253 1.00 22.44 H new ATOM 0 HB3 GLU A 41 5.205 7.437 -26.492 1.00 22.44 H new ATOM 0 HG2 GLU A 41 5.149 7.232 -29.466 1.00 22.01 H new ATOM 0 HG3 GLU A 41 4.849 8.823 -28.794 1.00 22.01 H new ATOM 603 N LEU A 42 3.051 4.495 -25.947 1.00 33.15 N ATOM 604 CA LEU A 42 2.710 3.868 -24.674 1.00 4.11 C ATOM 605 C LEU A 42 3.692 2.750 -24.338 1.00 73.31 C ATOM 606 O LEU A 42 3.777 2.306 -23.192 1.00 50.33 O ATOM 607 CB LEU A 42 1.285 3.315 -24.721 1.00 21.44 C ATOM 608 CG LEU A 42 0.922 2.302 -23.634 1.00 3.35 C ATOM 609 CD1 LEU A 42 0.971 2.953 -22.260 1.00 45.30 C ATOM 610 CD2 LEU A 42 -0.454 1.709 -23.895 1.00 73.25 C ATOM 0 H LEU A 42 2.322 4.431 -26.657 1.00 33.15 H new ATOM 0 HA LEU A 42 2.772 4.627 -23.894 1.00 4.11 H new ATOM 0 HB2 LEU A 42 0.590 4.152 -24.657 1.00 21.44 H new ATOM 0 HB3 LEU A 42 1.130 2.846 -25.693 1.00 21.44 H new ATOM 0 HG LEU A 42 1.654 1.495 -23.658 1.00 3.35 H new ATOM 0 HD11 LEU A 42 0.710 2.217 -21.499 1.00 45.30 H new ATOM 0 HD12 LEU A 42 1.977 3.329 -22.071 1.00 45.30 H new ATOM 0 HD13 LEU A 42 0.262 3.780 -22.224 1.00 45.30 H new ATOM 0 HD21 LEU A 42 -0.695 0.991 -23.112 1.00 73.25 H new ATOM 0 HD22 LEU A 42 -1.199 2.505 -23.899 1.00 73.25 H new ATOM 0 HD23 LEU A 42 -0.456 1.206 -24.862 1.00 73.25 H new ATOM 622 N THR A 43 4.434 2.298 -25.345 1.00 15.03 N ATOM 623 CA THR A 43 5.410 1.232 -25.157 1.00 12.54 C ATOM 624 C THR A 43 6.696 1.768 -24.538 1.00 50.10 C ATOM 625 O THR A 43 7.081 1.397 -23.429 1.00 44.11 O ATOM 626 CB THR A 43 5.746 0.536 -26.489 1.00 54.51 C ATOM 627 OG1 THR A 43 5.100 1.215 -27.572 1.00 62.14 O ATOM 628 CG2 THR A 43 5.308 -0.920 -26.464 1.00 22.31 C ATOM 0 H THR A 43 4.377 2.654 -26.299 1.00 15.03 H new ATOM 0 HA THR A 43 4.959 0.506 -24.481 1.00 12.54 H new ATOM 0 HB THR A 43 6.826 0.571 -26.630 1.00 54.51 H new ATOM 0 HG1 THR A 43 5.320 0.768 -28.416 1.00 62.14 H new ATOM 0 HG21 THR A 43 5.556 -1.391 -27.415 1.00 22.31 H new ATOM 0 HG22 THR A 43 5.822 -1.441 -25.656 1.00 22.31 H new ATOM 0 HG23 THR A 43 4.231 -0.973 -26.302 1.00 22.31 H new ATOM 636 N PRO A 44 7.378 2.662 -25.269 1.00 55.53 N ATOM 637 CA PRO A 44 8.631 3.269 -24.811 1.00 13.40 C ATOM 638 C PRO A 44 8.417 4.235 -23.650 1.00 53.14 C ATOM 639 O PRO A 44 9.223 4.293 -22.721 1.00 11.11 O ATOM 640 CB PRO A 44 9.133 4.021 -26.046 1.00 64.12 C ATOM 641 CG PRO A 44 7.906 4.308 -26.840 1.00 61.14 C ATOM 642 CD PRO A 44 6.977 3.150 -26.600 1.00 11.54 C ATOM 0 HA PRO A 44 9.331 2.523 -24.435 1.00 13.40 H new ATOM 0 HB2 PRO A 44 9.648 4.940 -25.767 1.00 64.12 H new ATOM 0 HB3 PRO A 44 9.841 3.419 -26.615 1.00 64.12 H new ATOM 0 HG2 PRO A 44 7.449 5.246 -26.526 1.00 61.14 H new ATOM 0 HG3 PRO A 44 8.141 4.407 -27.900 1.00 61.14 H new ATOM 0 HD2 PRO A 44 5.933 3.462 -26.616 1.00 11.54 H new ATOM 0 HD3 PRO A 44 7.091 2.379 -27.362 1.00 11.54 H new ATOM 650 N LEU A 45 7.326 4.991 -23.710 1.00 1.24 N ATOM 651 CA LEU A 45 7.006 5.955 -22.662 1.00 75.13 C ATOM 652 C LEU A 45 6.650 5.245 -21.360 1.00 4.44 C ATOM 653 O LEU A 45 6.758 5.822 -20.277 1.00 54.22 O ATOM 654 CB LEU A 45 5.845 6.849 -23.102 1.00 72.34 C ATOM 655 CG LEU A 45 5.465 7.976 -22.142 1.00 54.43 C ATOM 656 CD1 LEU A 45 5.436 9.311 -22.871 1.00 32.11 C ATOM 657 CD2 LEU A 45 4.118 7.692 -21.492 1.00 42.34 C ATOM 0 H LEU A 45 6.649 4.955 -24.472 1.00 1.24 H new ATOM 0 HA LEU A 45 7.887 6.573 -22.489 1.00 75.13 H new ATOM 0 HB2 LEU A 45 6.097 7.290 -24.066 1.00 72.34 H new ATOM 0 HB3 LEU A 45 4.968 6.221 -23.258 1.00 72.34 H new ATOM 0 HG LEU A 45 6.220 8.029 -21.358 1.00 54.43 H new ATOM 0 HD11 LEU A 45 5.164 10.102 -22.172 1.00 32.11 H new ATOM 0 HD12 LEU A 45 6.421 9.519 -23.288 1.00 32.11 H new ATOM 0 HD13 LEU A 45 4.702 9.270 -23.676 1.00 32.11 H new ATOM 0 HD21 LEU A 45 3.864 8.505 -20.812 1.00 42.34 H new ATOM 0 HD22 LEU A 45 3.352 7.611 -22.263 1.00 42.34 H new ATOM 0 HD23 LEU A 45 4.173 6.757 -20.935 1.00 42.34 H new ATOM 669 N PHE A 46 6.229 3.990 -21.471 1.00 42.04 N ATOM 670 CA PHE A 46 5.859 3.201 -20.302 1.00 65.33 C ATOM 671 C PHE A 46 6.815 2.026 -20.115 1.00 1.02 C ATOM 672 O PHE A 46 6.549 1.115 -19.332 1.00 24.24 O ATOM 673 CB PHE A 46 4.424 2.688 -20.440 1.00 3.23 C ATOM 674 CG PHE A 46 3.779 2.353 -19.125 1.00 40.43 C ATOM 675 CD1 PHE A 46 3.216 3.348 -18.341 1.00 63.45 C ATOM 676 CD2 PHE A 46 3.736 1.044 -18.674 1.00 14.25 C ATOM 677 CE1 PHE A 46 2.621 3.043 -17.132 1.00 24.14 C ATOM 678 CE2 PHE A 46 3.142 0.733 -17.465 1.00 13.41 C ATOM 679 CZ PHE A 46 2.585 1.734 -16.692 1.00 40.04 C ATOM 0 H PHE A 46 6.135 3.497 -22.359 1.00 42.04 H new ATOM 0 HA PHE A 46 5.925 3.844 -19.424 1.00 65.33 H new ATOM 0 HB2 PHE A 46 3.824 3.443 -20.948 1.00 3.23 H new ATOM 0 HB3 PHE A 46 4.423 1.801 -21.073 1.00 3.23 H new ATOM 0 HD1 PHE A 46 3.243 4.373 -18.679 1.00 63.45 H new ATOM 0 HD2 PHE A 46 4.171 0.258 -19.273 1.00 14.25 H new ATOM 0 HE1 PHE A 46 2.184 3.827 -16.531 1.00 24.14 H new ATOM 0 HE2 PHE A 46 3.113 -0.292 -17.125 1.00 13.41 H new ATOM 0 HZ PHE A 46 2.123 1.493 -15.746 1.00 40.04 H new ATOM 689 N ALA A 47 7.928 2.055 -20.840 1.00 43.12 N ATOM 690 CA ALA A 47 8.925 0.995 -20.753 1.00 75.55 C ATOM 691 C ALA A 47 9.999 1.333 -19.726 1.00 1.40 C ATOM 692 O ALA A 47 10.876 0.518 -19.441 1.00 11.54 O ATOM 693 CB ALA A 47 9.554 0.749 -22.117 1.00 32.22 C ATOM 0 H ALA A 47 8.162 2.801 -21.495 1.00 43.12 H new ATOM 0 HA ALA A 47 8.423 0.084 -20.427 1.00 75.55 H new ATOM 0 HB1 ALA A 47 10.297 -0.045 -22.037 1.00 32.22 H new ATOM 0 HB2 ALA A 47 8.781 0.453 -22.826 1.00 32.22 H new ATOM 0 HB3 ALA A 47 10.036 1.663 -22.466 1.00 32.22 H new ATOM 699 N GLN A 48 9.925 2.541 -19.175 1.00 34.42 N ATOM 700 CA GLN A 48 10.893 2.987 -18.180 1.00 32.40 C ATOM 701 C GLN A 48 10.793 2.149 -16.909 1.00 52.23 C ATOM 702 O GLN A 48 9.737 1.614 -16.571 1.00 31.11 O ATOM 703 CB GLN A 48 10.673 4.464 -17.850 1.00 32.01 C ATOM 704 CG GLN A 48 10.514 5.345 -19.079 1.00 34.33 C ATOM 705 CD GLN A 48 11.608 5.121 -20.103 1.00 64.51 C ATOM 706 OE1 GLN A 48 12.703 4.664 -19.770 1.00 15.52 O ATOM 707 NE2 GLN A 48 11.319 5.441 -21.359 1.00 31.41 N ATOM 0 H GLN A 48 9.205 3.227 -19.401 1.00 34.42 H new ATOM 0 HA GLN A 48 11.891 2.861 -18.599 1.00 32.40 H new ATOM 0 HB2 GLN A 48 9.784 4.560 -17.227 1.00 32.01 H new ATOM 0 HB3 GLN A 48 11.516 4.825 -17.261 1.00 32.01 H new ATOM 0 HG2 GLN A 48 9.545 5.149 -19.539 1.00 34.33 H new ATOM 0 HG3 GLN A 48 10.516 6.391 -18.774 1.00 34.33 H new ATOM 0 HE21 GLN A 48 10.399 5.817 -21.591 1.00 31.41 H new ATOM 0 HE22 GLN A 48 12.017 5.311 -22.092 1.00 31.41 H new ATOM 716 N PRO A 49 11.917 2.031 -16.188 1.00 2.44 N ATOM 717 CA PRO A 49 11.982 1.260 -14.943 1.00 14.24 C ATOM 718 C PRO A 49 11.207 1.924 -13.809 1.00 22.20 C ATOM 719 O PRO A 49 11.041 1.344 -12.736 1.00 52.51 O ATOM 720 CB PRO A 49 13.478 1.229 -14.621 1.00 50.35 C ATOM 721 CG PRO A 49 14.033 2.440 -15.288 1.00 5.42 C ATOM 722 CD PRO A 49 13.212 2.642 -16.531 1.00 42.42 C ATOM 0 HA PRO A 49 11.536 0.272 -15.053 1.00 14.24 H new ATOM 0 HB2 PRO A 49 13.652 1.254 -13.545 1.00 50.35 H new ATOM 0 HB3 PRO A 49 13.946 0.320 -14.998 1.00 50.35 H new ATOM 0 HG2 PRO A 49 13.970 3.309 -14.633 1.00 5.42 H new ATOM 0 HG3 PRO A 49 15.086 2.302 -15.534 1.00 5.42 H new ATOM 0 HD2 PRO A 49 13.105 3.699 -16.775 1.00 42.42 H new ATOM 0 HD3 PRO A 49 13.667 2.160 -17.396 1.00 42.42 H new ATOM 730 N ALA A 50 10.735 3.142 -14.054 1.00 62.45 N ATOM 731 CA ALA A 50 9.976 3.883 -13.055 1.00 20.42 C ATOM 732 C ALA A 50 8.486 3.577 -13.160 1.00 13.12 C ATOM 733 O ALA A 50 7.722 3.847 -12.234 1.00 34.34 O ATOM 734 CB ALA A 50 10.223 5.376 -13.205 1.00 55.43 C ATOM 0 H ALA A 50 10.865 3.636 -14.937 1.00 62.45 H new ATOM 0 HA ALA A 50 10.316 3.568 -12.068 1.00 20.42 H new ATOM 0 HB1 ALA A 50 9.650 5.917 -12.452 1.00 55.43 H new ATOM 0 HB2 ALA A 50 11.285 5.584 -13.072 1.00 55.43 H new ATOM 0 HB3 ALA A 50 9.912 5.698 -14.199 1.00 55.43 H new ATOM 740 N GLN A 51 8.080 3.014 -14.293 1.00 42.35 N ATOM 741 CA GLN A 51 6.680 2.674 -14.519 1.00 3.02 C ATOM 742 C GLN A 51 6.227 1.574 -13.564 1.00 50.32 C ATOM 743 O GLN A 51 5.032 1.316 -13.423 1.00 33.24 O ATOM 744 CB GLN A 51 6.469 2.228 -15.967 1.00 15.34 C ATOM 745 CG GLN A 51 6.983 0.827 -16.253 1.00 73.31 C ATOM 746 CD GLN A 51 5.868 -0.198 -16.338 1.00 4.31 C ATOM 747 OE1 GLN A 51 5.100 -0.375 -15.393 1.00 33.54 O ATOM 748 NE2 GLN A 51 5.775 -0.878 -17.474 1.00 71.42 N ATOM 0 H GLN A 51 8.701 2.784 -15.069 1.00 42.35 H new ATOM 0 HA GLN A 51 6.080 3.564 -14.330 1.00 3.02 H new ATOM 0 HB2 GLN A 51 5.405 2.270 -16.200 1.00 15.34 H new ATOM 0 HB3 GLN A 51 6.969 2.932 -16.632 1.00 15.34 H new ATOM 0 HG2 GLN A 51 7.539 0.832 -17.191 1.00 73.31 H new ATOM 0 HG3 GLN A 51 7.682 0.534 -15.470 1.00 73.31 H new ATOM 0 HE21 GLN A 51 6.434 -0.698 -18.232 1.00 71.42 H new ATOM 0 HE22 GLN A 51 5.045 -1.581 -17.590 1.00 71.42 H new ATOM 757 N ARG A 52 7.189 0.930 -12.912 1.00 61.11 N ATOM 758 CA ARG A 52 6.889 -0.143 -11.972 1.00 74.22 C ATOM 759 C ARG A 52 6.527 0.420 -10.601 1.00 54.41 C ATOM 760 O ARG A 52 5.796 -0.207 -9.834 1.00 62.11 O ATOM 761 CB ARG A 52 8.084 -1.090 -11.847 1.00 13.11 C ATOM 762 CG ARG A 52 7.952 -2.090 -10.710 1.00 2.33 C ATOM 763 CD ARG A 52 6.696 -2.934 -10.853 1.00 34.12 C ATOM 764 NE ARG A 52 6.997 -4.363 -10.888 1.00 1.44 N ATOM 765 CZ ARG A 52 7.403 -5.002 -11.979 1.00 45.50 C ATOM 766 NH1 ARG A 52 7.557 -4.342 -13.119 1.00 15.00 N ATOM 767 NH2 ARG A 52 7.658 -6.303 -11.931 1.00 42.14 N ATOM 0 H ARG A 52 8.183 1.133 -13.017 1.00 61.11 H new ATOM 0 HA ARG A 52 6.033 -0.698 -12.355 1.00 74.22 H new ATOM 0 HB2 ARG A 52 8.206 -1.633 -12.784 1.00 13.11 H new ATOM 0 HB3 ARG A 52 8.989 -0.501 -11.699 1.00 13.11 H new ATOM 0 HG2 ARG A 52 8.828 -2.739 -10.692 1.00 2.33 H new ATOM 0 HG3 ARG A 52 7.929 -1.559 -9.758 1.00 2.33 H new ATOM 0 HD2 ARG A 52 6.023 -2.726 -10.021 1.00 34.12 H new ATOM 0 HD3 ARG A 52 6.172 -2.652 -11.766 1.00 34.12 H new ATOM 0 HE ARG A 52 6.889 -4.899 -10.027 1.00 1.44 H new ATOM 0 HH11 ARG A 52 7.363 -3.341 -13.159 1.00 15.00 H new ATOM 0 HH12 ARG A 52 7.869 -4.835 -13.956 1.00 15.00 H new ATOM 0 HH21 ARG A 52 7.542 -6.813 -11.056 1.00 42.14 H new ATOM 0 HH22 ARG A 52 7.970 -6.793 -12.770 1.00 42.14 H new ATOM 781 N ASP A 53 7.043 1.607 -10.300 1.00 71.20 N ATOM 782 CA ASP A 53 6.774 2.256 -9.022 1.00 20.40 C ATOM 783 C ASP A 53 6.037 3.575 -9.227 1.00 12.30 C ATOM 784 O ASP A 53 5.845 4.345 -8.284 1.00 70.43 O ATOM 785 CB ASP A 53 8.080 2.499 -8.265 1.00 3.14 C ATOM 786 CG ASP A 53 8.358 1.426 -7.230 1.00 44.31 C ATOM 787 OD1 ASP A 53 8.657 1.783 -6.071 1.00 30.42 O ATOM 788 OD2 ASP A 53 8.277 0.230 -7.580 1.00 14.45 O ATOM 0 H ASP A 53 7.650 2.139 -10.924 1.00 71.20 H new ATOM 0 HA ASP A 53 6.139 1.594 -8.433 1.00 20.40 H new ATOM 0 HB2 ASP A 53 8.906 2.538 -8.975 1.00 3.14 H new ATOM 0 HB3 ASP A 53 8.036 3.471 -7.774 1.00 3.14 H new ATOM 793 N LEU A 54 5.626 3.832 -10.464 1.00 65.31 N ATOM 794 CA LEU A 54 4.911 5.059 -10.794 1.00 12.42 C ATOM 795 C LEU A 54 3.521 4.749 -11.340 1.00 51.54 C ATOM 796 O LEU A 54 3.373 3.967 -12.280 1.00 14.44 O ATOM 797 CB LEU A 54 5.703 5.876 -11.816 1.00 70.04 C ATOM 798 CG LEU A 54 5.381 7.370 -11.877 1.00 24.42 C ATOM 799 CD1 LEU A 54 6.513 8.184 -11.271 1.00 4.34 C ATOM 800 CD2 LEU A 54 5.121 7.801 -13.313 1.00 13.44 C ATOM 0 H LEU A 54 5.776 3.206 -11.255 1.00 65.31 H new ATOM 0 HA LEU A 54 4.800 5.643 -9.880 1.00 12.42 H new ATOM 0 HB2 LEU A 54 6.765 5.762 -11.598 1.00 70.04 H new ATOM 0 HB3 LEU A 54 5.533 5.448 -12.804 1.00 70.04 H new ATOM 0 HG LEU A 54 4.478 7.552 -11.295 1.00 24.42 H new ATOM 0 HD11 LEU A 54 6.267 9.245 -11.323 1.00 4.34 H new ATOM 0 HD12 LEU A 54 6.652 7.894 -10.229 1.00 4.34 H new ATOM 0 HD13 LEU A 54 7.433 7.997 -11.826 1.00 4.34 H new ATOM 0 HD21 LEU A 54 4.894 8.867 -13.337 1.00 13.44 H new ATOM 0 HD22 LEU A 54 6.006 7.605 -13.918 1.00 13.44 H new ATOM 0 HD23 LEU A 54 4.276 7.240 -13.714 1.00 13.44 H new ATOM 812 N ARG A 55 2.506 5.369 -10.747 1.00 52.35 N ATOM 813 CA ARG A 55 1.128 5.160 -11.176 1.00 11.44 C ATOM 814 C ARG A 55 0.853 5.878 -12.494 1.00 4.00 C ATOM 815 O ARG A 55 1.522 6.855 -12.832 1.00 62.33 O ATOM 816 CB ARG A 55 0.157 5.655 -10.102 1.00 21.03 C ATOM 817 CG ARG A 55 0.097 4.759 -8.876 1.00 32.43 C ATOM 818 CD ARG A 55 -1.013 5.185 -7.928 1.00 32.11 C ATOM 819 NE ARG A 55 -1.979 4.113 -7.698 1.00 45.32 N ATOM 820 CZ ARG A 55 -2.931 4.168 -6.774 1.00 30.11 C ATOM 821 NH1 ARG A 55 -3.045 5.236 -5.997 1.00 54.33 N ATOM 822 NH2 ARG A 55 -3.772 3.152 -6.625 1.00 40.34 N ATOM 0 H ARG A 55 2.612 6.020 -9.969 1.00 52.35 H new ATOM 0 HA ARG A 55 0.980 4.091 -11.327 1.00 11.44 H new ATOM 0 HB2 ARG A 55 0.450 6.659 -9.794 1.00 21.03 H new ATOM 0 HB3 ARG A 55 -0.841 5.733 -10.534 1.00 21.03 H new ATOM 0 HG2 ARG A 55 -0.064 3.727 -9.186 1.00 32.43 H new ATOM 0 HG3 ARG A 55 1.054 4.789 -8.355 1.00 32.43 H new ATOM 0 HD2 ARG A 55 -0.579 5.492 -6.976 1.00 32.11 H new ATOM 0 HD3 ARG A 55 -1.527 6.054 -8.339 1.00 32.11 H new ATOM 0 HE ARG A 55 -1.919 3.277 -8.279 1.00 45.32 H new ATOM 0 HH11 ARG A 55 -2.400 6.019 -6.108 1.00 54.33 H new ATOM 0 HH12 ARG A 55 -3.777 5.275 -5.288 1.00 54.33 H new ATOM 0 HH21 ARG A 55 -3.687 2.328 -7.221 1.00 40.34 H new ATOM 0 HH22 ARG A 55 -4.503 3.195 -5.915 1.00 40.34 H new ATOM 836 N VAL A 56 -0.135 5.386 -13.235 1.00 4.40 N ATOM 837 CA VAL A 56 -0.498 5.981 -14.516 1.00 31.51 C ATOM 838 C VAL A 56 -2.011 6.108 -14.653 1.00 31.02 C ATOM 839 O VAL A 56 -2.706 5.128 -14.922 1.00 62.30 O ATOM 840 CB VAL A 56 0.045 5.150 -15.694 1.00 52.10 C ATOM 841 CG1 VAL A 56 -0.183 3.666 -15.451 1.00 72.03 C ATOM 842 CG2 VAL A 56 -0.602 5.591 -16.999 1.00 24.14 C ATOM 0 H VAL A 56 -0.698 4.578 -12.970 1.00 4.40 H new ATOM 0 HA VAL A 56 -0.049 6.974 -14.543 1.00 31.51 H new ATOM 0 HB VAL A 56 1.119 5.320 -15.772 1.00 52.10 H new ATOM 0 HG11 VAL A 56 0.207 3.095 -16.294 1.00 72.03 H new ATOM 0 HG12 VAL A 56 0.331 3.363 -14.539 1.00 72.03 H new ATOM 0 HG13 VAL A 56 -1.251 3.474 -15.346 1.00 72.03 H new ATOM 0 HG21 VAL A 56 -0.207 4.994 -17.821 1.00 24.14 H new ATOM 0 HG22 VAL A 56 -1.681 5.452 -16.935 1.00 24.14 H new ATOM 0 HG23 VAL A 56 -0.382 6.644 -17.177 1.00 24.14 H new ATOM 852 N PHE A 57 -2.516 7.323 -14.466 1.00 73.12 N ATOM 853 CA PHE A 57 -3.948 7.579 -14.568 1.00 52.45 C ATOM 854 C PHE A 57 -4.276 8.331 -15.855 1.00 45.04 C ATOM 855 O PHE A 57 -3.390 8.884 -16.508 1.00 22.01 O ATOM 856 CB PHE A 57 -4.432 8.382 -13.359 1.00 23.02 C ATOM 857 CG PHE A 57 -4.571 7.559 -12.110 1.00 73.22 C ATOM 858 CD1 PHE A 57 -5.789 7.470 -11.456 1.00 32.03 C ATOM 859 CD2 PHE A 57 -3.484 6.874 -11.591 1.00 13.32 C ATOM 860 CE1 PHE A 57 -5.921 6.713 -10.307 1.00 12.03 C ATOM 861 CE2 PHE A 57 -3.610 6.116 -10.443 1.00 34.54 C ATOM 862 CZ PHE A 57 -4.830 6.036 -9.799 1.00 61.20 C ATOM 0 H PHE A 57 -1.955 8.145 -14.243 1.00 73.12 H new ATOM 0 HA PHE A 57 -4.462 6.618 -14.587 1.00 52.45 H new ATOM 0 HB2 PHE A 57 -3.734 9.198 -13.171 1.00 23.02 H new ATOM 0 HB3 PHE A 57 -5.395 8.835 -13.595 1.00 23.02 H new ATOM 0 HD1 PHE A 57 -6.645 7.998 -11.848 1.00 32.03 H new ATOM 0 HD2 PHE A 57 -2.528 6.933 -12.089 1.00 13.32 H new ATOM 0 HE1 PHE A 57 -6.876 6.651 -9.807 1.00 12.03 H new ATOM 0 HE2 PHE A 57 -2.755 5.586 -10.049 1.00 34.54 H new ATOM 0 HZ PHE A 57 -4.930 5.445 -8.900 1.00 61.20 H new ATOM 872 N LYS A 58 -5.554 8.346 -16.215 1.00 54.54 N ATOM 873 CA LYS A 58 -6.002 9.030 -17.423 1.00 64.23 C ATOM 874 C LYS A 58 -7.368 9.674 -17.210 1.00 61.41 C ATOM 875 O LYS A 58 -8.270 9.064 -16.636 1.00 60.51 O ATOM 876 CB LYS A 58 -6.066 8.048 -18.595 1.00 70.23 C ATOM 877 CG LYS A 58 -4.701 7.627 -19.112 1.00 51.54 C ATOM 878 CD LYS A 58 -4.367 6.201 -18.709 1.00 10.11 C ATOM 879 CE LYS A 58 -3.567 5.489 -19.789 1.00 53.12 C ATOM 880 NZ LYS A 58 -4.428 5.067 -20.929 1.00 22.21 N ATOM 0 H LYS A 58 -6.299 7.892 -15.687 1.00 54.54 H new ATOM 0 HA LYS A 58 -5.283 9.816 -17.654 1.00 64.23 H new ATOM 0 HB2 LYS A 58 -6.617 7.160 -18.284 1.00 70.23 H new ATOM 0 HB3 LYS A 58 -6.629 8.504 -19.410 1.00 70.23 H new ATOM 0 HG2 LYS A 58 -4.680 7.713 -20.198 1.00 51.54 H new ATOM 0 HG3 LYS A 58 -3.940 8.303 -18.724 1.00 51.54 H new ATOM 0 HD2 LYS A 58 -3.799 6.208 -17.779 1.00 10.11 H new ATOM 0 HD3 LYS A 58 -5.288 5.651 -18.515 1.00 10.11 H new ATOM 0 HE2 LYS A 58 -2.780 6.149 -20.153 1.00 53.12 H new ATOM 0 HE3 LYS A 58 -3.077 4.615 -19.361 1.00 53.12 H new ATOM 0 HZ1 LYS A 58 -3.860 4.527 -21.612 1.00 22.21 H new ATOM 0 HZ2 LYS A 58 -5.204 4.471 -20.576 1.00 22.21 H new ATOM 0 HZ3 LYS A 58 -4.822 5.908 -21.396 1.00 22.21 H new ATOM 894 N VAL A 59 -7.514 10.909 -17.677 1.00 52.53 N ATOM 895 CA VAL A 59 -8.771 11.635 -17.540 1.00 74.10 C ATOM 896 C VAL A 59 -9.528 11.679 -18.863 1.00 43.21 C ATOM 897 O VAL A 59 -8.938 11.902 -19.919 1.00 41.14 O ATOM 898 CB VAL A 59 -8.537 13.075 -17.047 1.00 15.04 C ATOM 899 CG1 VAL A 59 -7.416 13.734 -17.835 1.00 52.31 C ATOM 900 CG2 VAL A 59 -9.820 13.887 -17.147 1.00 1.11 C ATOM 0 H VAL A 59 -6.777 11.428 -18.154 1.00 52.53 H new ATOM 0 HA VAL A 59 -9.367 11.099 -16.802 1.00 74.10 H new ATOM 0 HB VAL A 59 -8.238 13.038 -15.999 1.00 15.04 H new ATOM 0 HG11 VAL A 59 -7.265 14.751 -17.472 1.00 52.31 H new ATOM 0 HG12 VAL A 59 -6.496 13.163 -17.707 1.00 52.31 H new ATOM 0 HG13 VAL A 59 -7.681 13.761 -18.892 1.00 52.31 H new ATOM 0 HG21 VAL A 59 -9.637 14.902 -16.795 1.00 1.11 H new ATOM 0 HG22 VAL A 59 -10.151 13.918 -18.185 1.00 1.11 H new ATOM 0 HG23 VAL A 59 -10.593 13.424 -16.533 1.00 1.11 H new ATOM 910 N ASN A 60 -10.838 11.466 -18.797 1.00 22.41 N ATOM 911 CA ASN A 60 -11.676 11.481 -19.990 1.00 41.13 C ATOM 912 C ASN A 60 -12.347 12.840 -20.166 1.00 34.31 C ATOM 913 O ASN A 60 -12.639 13.531 -19.190 1.00 30.03 O ATOM 914 CB ASN A 60 -12.737 10.382 -19.908 1.00 12.02 C ATOM 915 CG ASN A 60 -12.140 9.025 -19.591 1.00 33.53 C ATOM 916 OD1 ASN A 60 -11.278 8.528 -20.316 1.00 53.32 O ATOM 917 ND2 ASN A 60 -12.598 8.417 -18.502 1.00 63.00 N ATOM 0 H ASN A 60 -11.342 11.281 -17.930 1.00 22.41 H new ATOM 0 HA ASN A 60 -11.038 11.296 -20.854 1.00 41.13 H new ATOM 0 HB2 ASN A 60 -13.468 10.642 -19.142 1.00 12.02 H new ATOM 0 HB3 ASN A 60 -13.274 10.328 -20.855 1.00 12.02 H new ATOM 0 HD21 ASN A 60 -12.234 7.501 -18.238 1.00 63.00 H new ATOM 0 HD22 ASN A 60 -13.313 8.866 -17.930 1.00 63.00 H new ATOM 924 N PHE A 61 -12.590 13.216 -21.417 1.00 15.20 N ATOM 925 CA PHE A 61 -13.227 14.492 -21.721 1.00 54.23 C ATOM 926 C PHE A 61 -14.601 14.585 -21.063 1.00 42.30 C ATOM 927 O PHE A 61 -15.180 15.667 -20.960 1.00 24.01 O ATOM 928 CB PHE A 61 -13.362 14.671 -23.235 1.00 4.10 C ATOM 929 CG PHE A 61 -14.414 13.794 -23.851 1.00 64.13 C ATOM 930 CD1 PHE A 61 -15.665 14.302 -24.158 1.00 55.14 C ATOM 931 CD2 PHE A 61 -14.151 12.461 -24.123 1.00 63.11 C ATOM 932 CE1 PHE A 61 -16.636 13.498 -24.726 1.00 23.30 C ATOM 933 CE2 PHE A 61 -15.117 11.652 -24.691 1.00 23.11 C ATOM 934 CZ PHE A 61 -16.361 12.171 -24.992 1.00 31.54 C ATOM 0 H PHE A 61 -12.356 12.656 -22.236 1.00 15.20 H new ATOM 0 HA PHE A 61 -12.598 15.287 -21.322 1.00 54.23 H new ATOM 0 HB2 PHE A 61 -13.598 15.713 -23.450 1.00 4.10 H new ATOM 0 HB3 PHE A 61 -12.402 14.458 -23.705 1.00 4.10 H new ATOM 0 HD1 PHE A 61 -15.885 15.339 -23.951 1.00 55.14 H new ATOM 0 HD2 PHE A 61 -13.180 12.050 -23.889 1.00 63.11 H new ATOM 0 HE1 PHE A 61 -17.608 13.907 -24.961 1.00 23.30 H new ATOM 0 HE2 PHE A 61 -14.899 10.615 -24.899 1.00 23.11 H new ATOM 0 HZ PHE A 61 -17.118 11.540 -25.435 1.00 31.54 H new ATOM 944 N ASP A 62 -15.116 13.444 -20.620 1.00 32.10 N ATOM 945 CA ASP A 62 -16.421 13.395 -19.971 1.00 53.31 C ATOM 946 C ASP A 62 -16.312 13.790 -18.501 1.00 75.35 C ATOM 947 O ASP A 62 -17.321 13.994 -17.825 1.00 54.34 O ATOM 948 CB ASP A 62 -17.023 11.995 -20.093 1.00 32.52 C ATOM 949 CG ASP A 62 -17.093 11.517 -21.530 1.00 50.31 C ATOM 950 OD1 ASP A 62 -18.164 11.670 -22.155 1.00 23.10 O ATOM 951 OD2 ASP A 62 -16.077 10.992 -22.030 1.00 62.13 O ATOM 0 H ASP A 62 -14.650 12.540 -20.698 1.00 32.10 H new ATOM 0 HA ASP A 62 -17.076 14.108 -20.472 1.00 53.31 H new ATOM 0 HB2 ASP A 62 -16.426 11.294 -19.509 1.00 32.52 H new ATOM 0 HB3 ASP A 62 -18.025 11.995 -19.664 1.00 32.52 H new ATOM 956 N THR A 63 -15.081 13.894 -18.011 1.00 40.05 N ATOM 957 CA THR A 63 -14.840 14.261 -16.622 1.00 1.41 C ATOM 958 C THR A 63 -14.277 15.674 -16.516 1.00 40.14 C ATOM 959 O THR A 63 -14.403 16.326 -15.480 1.00 74.13 O ATOM 960 CB THR A 63 -13.866 13.281 -15.942 1.00 64.34 C ATOM 961 OG1 THR A 63 -14.128 11.944 -16.385 1.00 44.30 O ATOM 962 CG2 THR A 63 -13.993 13.353 -14.428 1.00 51.13 C ATOM 0 H THR A 63 -14.235 13.729 -18.556 1.00 40.05 H new ATOM 0 HA THR A 63 -15.803 14.217 -16.113 1.00 1.41 H new ATOM 0 HB THR A 63 -12.850 13.563 -16.218 1.00 64.34 H new ATOM 0 HG1 THR A 63 -13.504 11.327 -15.950 1.00 44.30 H new ATOM 0 HG21 THR A 63 -13.295 12.652 -13.971 1.00 51.13 H new ATOM 0 HG22 THR A 63 -13.764 14.364 -14.091 1.00 51.13 H new ATOM 0 HG23 THR A 63 -15.011 13.095 -14.136 1.00 51.13 H new ATOM 970 N GLN A 64 -13.656 16.141 -17.595 1.00 73.10 N ATOM 971 CA GLN A 64 -13.074 17.477 -17.622 1.00 51.43 C ATOM 972 C GLN A 64 -13.805 18.369 -18.620 1.00 51.34 C ATOM 973 O GLN A 64 -13.271 19.383 -19.072 1.00 23.45 O ATOM 974 CB GLN A 64 -11.589 17.402 -17.980 1.00 3.41 C ATOM 975 CG GLN A 64 -10.687 17.142 -16.784 1.00 34.22 C ATOM 976 CD GLN A 64 -9.234 16.965 -17.176 1.00 22.30 C ATOM 977 OE1 GLN A 64 -8.905 16.869 -18.359 1.00 32.02 O ATOM 978 NE2 GLN A 64 -8.354 16.920 -16.183 1.00 5.32 N ATOM 0 H GLN A 64 -13.543 15.614 -18.461 1.00 73.10 H new ATOM 0 HA GLN A 64 -13.180 17.912 -16.628 1.00 51.43 H new ATOM 0 HB2 GLN A 64 -11.441 16.611 -18.715 1.00 3.41 H new ATOM 0 HB3 GLN A 64 -11.290 18.337 -18.453 1.00 3.41 H new ATOM 0 HG2 GLN A 64 -10.772 17.972 -16.083 1.00 34.22 H new ATOM 0 HG3 GLN A 64 -11.030 16.248 -16.263 1.00 34.22 H new ATOM 0 HE21 GLN A 64 -8.670 17.004 -15.217 1.00 5.32 H new ATOM 0 HE22 GLN A 64 -7.361 16.802 -16.386 1.00 5.32 H new ATOM 987 N LYS A 65 -15.031 17.986 -18.962 1.00 65.10 N ATOM 988 CA LYS A 65 -15.837 18.750 -19.906 1.00 43.42 C ATOM 989 C LYS A 65 -16.046 20.178 -19.412 1.00 4.21 C ATOM 990 O LYS A 65 -16.433 21.060 -20.178 1.00 70.21 O ATOM 991 CB LYS A 65 -17.191 18.070 -20.120 1.00 43.22 C ATOM 992 CG LYS A 65 -17.602 17.979 -21.580 1.00 23.24 C ATOM 993 CD LYS A 65 -19.111 18.045 -21.739 1.00 34.41 C ATOM 994 CE LYS A 65 -19.544 19.335 -22.417 1.00 55.32 C ATOM 995 NZ LYS A 65 -19.898 19.118 -23.847 1.00 55.54 N ATOM 0 H LYS A 65 -15.488 17.150 -18.599 1.00 65.10 H new ATOM 0 HA LYS A 65 -15.302 18.787 -20.855 1.00 43.42 H new ATOM 0 HB2 LYS A 65 -17.154 17.066 -19.698 1.00 43.22 H new ATOM 0 HB3 LYS A 65 -17.955 18.619 -19.570 1.00 43.22 H new ATOM 0 HG2 LYS A 65 -17.140 18.792 -22.140 1.00 23.24 H new ATOM 0 HG3 LYS A 65 -17.231 17.047 -22.006 1.00 23.24 H new ATOM 0 HD2 LYS A 65 -19.454 17.192 -22.325 1.00 34.41 H new ATOM 0 HD3 LYS A 65 -19.585 17.970 -20.760 1.00 34.41 H new ATOM 0 HE2 LYS A 65 -20.402 19.752 -21.890 1.00 55.32 H new ATOM 0 HE3 LYS A 65 -18.741 20.068 -22.349 1.00 55.32 H new ATOM 0 HZ1 LYS A 65 -20.188 20.021 -24.274 1.00 55.54 H new ATOM 0 HZ2 LYS A 65 -19.072 18.744 -24.356 1.00 55.54 H new ATOM 0 HZ3 LYS A 65 -20.682 18.437 -23.911 1.00 55.54 H new ATOM 1009 N ALA A 66 -15.785 20.399 -18.127 1.00 72.05 N ATOM 1010 CA ALA A 66 -15.941 21.720 -17.532 1.00 54.45 C ATOM 1011 C ALA A 66 -14.690 22.567 -17.739 1.00 52.14 C ATOM 1012 O ALA A 66 -14.677 23.758 -17.428 1.00 64.35 O ATOM 1013 CB ALA A 66 -16.258 21.597 -16.049 1.00 54.34 C ATOM 0 H ALA A 66 -15.465 19.680 -17.479 1.00 72.05 H new ATOM 0 HA ALA A 66 -16.772 22.219 -18.030 1.00 54.45 H new ATOM 0 HB1 ALA A 66 -16.372 22.591 -15.618 1.00 54.34 H new ATOM 0 HB2 ALA A 66 -17.184 21.037 -15.920 1.00 54.34 H new ATOM 0 HB3 ALA A 66 -15.445 21.074 -15.545 1.00 54.34 H new ATOM 1019 N ALA A 67 -13.640 21.945 -18.266 1.00 35.44 N ATOM 1020 CA ALA A 67 -12.385 22.642 -18.515 1.00 60.21 C ATOM 1021 C ALA A 67 -12.435 23.408 -19.833 1.00 1.15 C ATOM 1022 O ALA A 67 -12.145 24.604 -19.878 1.00 41.42 O ATOM 1023 CB ALA A 67 -11.226 21.656 -18.519 1.00 42.22 C ATOM 0 H ALA A 67 -13.634 20.959 -18.529 1.00 35.44 H new ATOM 0 HA ALA A 67 -12.232 23.363 -17.712 1.00 60.21 H new ATOM 0 HB1 ALA A 67 -10.294 22.190 -18.706 1.00 42.22 H new ATOM 0 HB2 ALA A 67 -11.170 21.157 -17.552 1.00 42.22 H new ATOM 0 HB3 ALA A 67 -11.382 20.914 -19.302 1.00 42.22 H new ATOM 1029 N LEU A 68 -12.803 22.712 -20.902 1.00 55.45 N ATOM 1030 CA LEU A 68 -12.891 23.328 -22.222 1.00 62.44 C ATOM 1031 C LEU A 68 -14.216 24.063 -22.394 1.00 32.22 C ATOM 1032 O LEU A 68 -14.367 24.886 -23.296 1.00 75.33 O ATOM 1033 CB LEU A 68 -12.739 22.266 -23.313 1.00 22.32 C ATOM 1034 CG LEU A 68 -13.394 20.914 -23.029 1.00 73.31 C ATOM 1035 CD1 LEU A 68 -12.532 20.090 -22.085 1.00 52.10 C ATOM 1036 CD2 LEU A 68 -14.788 21.108 -22.449 1.00 62.23 C ATOM 0 H LEU A 68 -13.045 21.721 -20.882 1.00 55.45 H new ATOM 0 HA LEU A 68 -12.081 24.052 -22.312 1.00 62.44 H new ATOM 0 HB2 LEU A 68 -13.157 22.662 -24.239 1.00 22.32 H new ATOM 0 HB3 LEU A 68 -11.676 22.103 -23.487 1.00 22.32 H new ATOM 0 HG LEU A 68 -13.486 20.372 -23.970 1.00 73.31 H new ATOM 0 HD11 LEU A 68 -13.015 19.131 -21.895 1.00 52.10 H new ATOM 0 HD12 LEU A 68 -11.555 19.921 -22.538 1.00 52.10 H new ATOM 0 HD13 LEU A 68 -12.407 20.626 -21.144 1.00 52.10 H new ATOM 0 HD21 LEU A 68 -15.239 20.135 -22.253 1.00 62.23 H new ATOM 0 HD22 LEU A 68 -14.720 21.670 -21.518 1.00 62.23 H new ATOM 0 HD23 LEU A 68 -15.405 21.657 -23.160 1.00 62.23 H new ATOM 1048 N GLN A 69 -15.172 23.761 -21.520 1.00 44.34 N ATOM 1049 CA GLN A 69 -16.484 24.395 -21.575 1.00 44.10 C ATOM 1050 C GLN A 69 -16.493 25.697 -20.781 1.00 45.31 C ATOM 1051 O GLN A 69 -17.256 26.614 -21.084 1.00 63.11 O ATOM 1052 CB GLN A 69 -17.555 23.447 -21.034 1.00 25.53 C ATOM 1053 CG GLN A 69 -18.964 24.009 -21.118 1.00 13.13 C ATOM 1054 CD GLN A 69 -19.452 24.151 -22.546 1.00 70.40 C ATOM 1055 OE1 GLN A 69 -19.688 23.158 -23.235 1.00 23.40 O ATOM 1056 NE2 GLN A 69 -19.606 25.389 -22.999 1.00 55.22 N ATOM 0 H GLN A 69 -15.062 23.082 -20.767 1.00 44.34 H new ATOM 0 HA GLN A 69 -16.705 24.625 -22.617 1.00 44.10 H new ATOM 0 HB2 GLN A 69 -17.513 22.510 -21.589 1.00 25.53 H new ATOM 0 HB3 GLN A 69 -17.328 23.212 -19.994 1.00 25.53 H new ATOM 0 HG2 GLN A 69 -19.644 23.358 -20.569 1.00 13.13 H new ATOM 0 HG3 GLN A 69 -18.992 24.983 -20.630 1.00 13.13 H new ATOM 0 HE21 GLN A 69 -19.399 26.183 -22.393 1.00 55.22 H new ATOM 0 HE22 GLN A 69 -19.932 25.546 -23.953 1.00 55.22 H new ATOM 1065 N GLN A 70 -15.640 25.770 -19.764 1.00 42.53 N ATOM 1066 CA GLN A 70 -15.551 26.961 -18.926 1.00 71.45 C ATOM 1067 C GLN A 70 -14.458 27.899 -19.427 1.00 62.42 C ATOM 1068 O GLN A 70 -14.624 29.119 -19.426 1.00 25.42 O ATOM 1069 CB GLN A 70 -15.277 26.568 -17.474 1.00 2.13 C ATOM 1070 CG GLN A 70 -15.193 27.755 -16.528 1.00 53.41 C ATOM 1071 CD GLN A 70 -16.393 27.852 -15.606 1.00 5.52 C ATOM 1072 OE1 GLN A 70 -16.280 27.641 -14.398 1.00 71.20 O ATOM 1073 NE2 GLN A 70 -17.550 28.174 -16.171 1.00 51.24 N ATOM 0 H GLN A 70 -15.001 25.020 -19.500 1.00 42.53 H new ATOM 0 HA GLN A 70 -16.505 27.485 -18.979 1.00 71.45 H new ATOM 0 HB2 GLN A 70 -16.066 25.897 -17.133 1.00 2.13 H new ATOM 0 HB3 GLN A 70 -14.342 26.010 -17.428 1.00 2.13 H new ATOM 0 HG2 GLN A 70 -14.285 27.675 -15.930 1.00 53.41 H new ATOM 0 HG3 GLN A 70 -15.111 28.673 -17.110 1.00 53.41 H new ATOM 0 HE21 GLN A 70 -17.598 28.340 -17.176 1.00 51.24 H new ATOM 0 HE22 GLN A 70 -18.391 28.255 -15.600 1.00 51.24 H new ATOM 1082 N PHE A 71 -13.340 27.321 -19.855 1.00 1.31 N ATOM 1083 CA PHE A 71 -12.218 28.106 -20.357 1.00 71.04 C ATOM 1084 C PHE A 71 -12.245 28.179 -21.881 1.00 64.33 C ATOM 1085 O PHE A 71 -11.424 28.860 -22.495 1.00 44.42 O ATOM 1086 CB PHE A 71 -10.894 27.501 -19.887 1.00 63.23 C ATOM 1087 CG PHE A 71 -10.092 28.420 -19.010 1.00 74.15 C ATOM 1088 CD1 PHE A 71 -9.250 29.369 -19.566 1.00 64.12 C ATOM 1089 CD2 PHE A 71 -10.181 28.335 -17.630 1.00 75.54 C ATOM 1090 CE1 PHE A 71 -8.511 30.217 -18.762 1.00 60.41 C ATOM 1091 CE2 PHE A 71 -9.446 29.180 -16.821 1.00 63.34 C ATOM 1092 CZ PHE A 71 -8.609 30.121 -17.388 1.00 25.02 C ATOM 0 H PHE A 71 -13.187 26.313 -19.864 1.00 1.31 H new ATOM 0 HA PHE A 71 -12.308 29.117 -19.961 1.00 71.04 H new ATOM 0 HB2 PHE A 71 -11.098 26.579 -19.343 1.00 63.23 H new ATOM 0 HB3 PHE A 71 -10.297 27.231 -20.758 1.00 63.23 H new ATOM 0 HD1 PHE A 71 -9.170 29.447 -20.640 1.00 64.12 H new ATOM 0 HD2 PHE A 71 -10.833 27.600 -17.181 1.00 75.54 H new ATOM 0 HE1 PHE A 71 -7.858 30.953 -19.208 1.00 60.41 H new ATOM 0 HE2 PHE A 71 -9.526 29.105 -15.747 1.00 63.34 H new ATOM 0 HZ PHE A 71 -8.032 30.781 -16.757 1.00 25.02 H new ATOM 1102 N ARG A 72 -13.193 27.470 -22.485 1.00 54.51 N ATOM 1103 CA ARG A 72 -13.326 27.453 -23.937 1.00 34.42 C ATOM 1104 C ARG A 72 -12.088 26.845 -24.589 1.00 1.12 C ATOM 1105 O ARG A 72 -11.881 26.976 -25.795 1.00 43.42 O ATOM 1106 CB ARG A 72 -13.552 28.870 -24.467 1.00 62.20 C ATOM 1107 CG ARG A 72 -14.587 29.657 -23.680 1.00 72.14 C ATOM 1108 CD ARG A 72 -15.509 30.440 -24.602 1.00 14.15 C ATOM 1109 NE ARG A 72 -15.032 31.802 -24.825 1.00 12.11 N ATOM 1110 CZ ARG A 72 -15.566 32.631 -25.715 1.00 41.20 C ATOM 1111 NH1 ARG A 72 -16.590 32.239 -26.461 1.00 24.12 N ATOM 1112 NH2 ARG A 72 -15.076 33.856 -25.860 1.00 70.21 N ATOM 0 H ARG A 72 -13.880 26.900 -21.992 1.00 54.51 H new ATOM 0 HA ARG A 72 -14.189 26.837 -24.191 1.00 34.42 H new ATOM 0 HB2 ARG A 72 -12.606 29.411 -24.449 1.00 62.20 H new ATOM 0 HB3 ARG A 72 -13.867 28.813 -25.509 1.00 62.20 H new ATOM 0 HG2 ARG A 72 -15.176 28.975 -23.068 1.00 72.14 H new ATOM 0 HG3 ARG A 72 -14.084 30.343 -22.999 1.00 72.14 H new ATOM 0 HD2 ARG A 72 -15.590 29.923 -25.558 1.00 14.15 H new ATOM 0 HD3 ARG A 72 -16.510 30.472 -24.172 1.00 14.15 H new ATOM 0 HE ARG A 72 -14.246 32.135 -24.267 1.00 12.11 H new ATOM 0 HH11 ARG A 72 -16.970 31.299 -26.352 1.00 24.12 H new ATOM 0 HH12 ARG A 72 -16.998 32.878 -27.144 1.00 24.12 H new ATOM 0 HH21 ARG A 72 -14.289 34.161 -25.288 1.00 70.21 H new ATOM 0 HH22 ARG A 72 -15.487 34.492 -26.544 1.00 70.21 H new ATOM 1126 N VAL A 73 -11.267 26.180 -23.782 1.00 62.13 N ATOM 1127 CA VAL A 73 -10.049 25.552 -24.280 1.00 60.43 C ATOM 1128 C VAL A 73 -9.520 24.519 -23.292 1.00 21.51 C ATOM 1129 O VAL A 73 -9.328 24.814 -22.112 1.00 73.03 O ATOM 1130 CB VAL A 73 -8.950 26.596 -24.553 1.00 23.54 C ATOM 1131 CG1 VAL A 73 -8.681 27.426 -23.307 1.00 30.33 C ATOM 1132 CG2 VAL A 73 -7.677 25.915 -25.035 1.00 13.32 C ATOM 0 H VAL A 73 -11.423 26.062 -22.781 1.00 62.13 H new ATOM 0 HA VAL A 73 -10.308 25.056 -25.215 1.00 60.43 H new ATOM 0 HB VAL A 73 -9.297 27.267 -25.339 1.00 23.54 H new ATOM 0 HG11 VAL A 73 -7.902 28.158 -23.519 1.00 30.33 H new ATOM 0 HG12 VAL A 73 -9.594 27.943 -23.010 1.00 30.33 H new ATOM 0 HG13 VAL A 73 -8.355 26.773 -22.498 1.00 30.33 H new ATOM 0 HG21 VAL A 73 -6.911 26.667 -25.223 1.00 13.32 H new ATOM 0 HG22 VAL A 73 -7.324 25.221 -24.272 1.00 13.32 H new ATOM 0 HG23 VAL A 73 -7.883 25.369 -25.955 1.00 13.32 H new ATOM 1142 N SER A 74 -9.285 23.305 -23.781 1.00 41.33 N ATOM 1143 CA SER A 74 -8.781 22.226 -22.940 1.00 45.22 C ATOM 1144 C SER A 74 -8.850 20.889 -23.672 1.00 13.22 C ATOM 1145 O SER A 74 -9.785 20.113 -23.479 1.00 35.22 O ATOM 1146 CB SER A 74 -9.580 22.150 -21.638 1.00 3.11 C ATOM 1147 OG SER A 74 -8.841 22.688 -20.554 1.00 74.33 O ATOM 0 H SER A 74 -9.436 23.044 -24.756 1.00 41.33 H new ATOM 0 HA SER A 74 -7.738 22.438 -22.705 1.00 45.22 H new ATOM 0 HB2 SER A 74 -10.517 22.696 -21.750 1.00 3.11 H new ATOM 0 HB3 SER A 74 -9.839 21.113 -21.426 1.00 3.11 H new ATOM 0 HG SER A 74 -8.792 23.663 -20.643 1.00 74.33 H new ATOM 1153 N GLN A 75 -7.854 20.629 -24.512 1.00 61.20 N ATOM 1154 CA GLN A 75 -7.802 19.386 -25.273 1.00 53.45 C ATOM 1155 C GLN A 75 -7.474 18.205 -24.366 1.00 41.23 C ATOM 1156 O GLN A 75 -7.547 18.312 -23.143 1.00 3.35 O ATOM 1157 CB GLN A 75 -6.763 19.491 -26.391 1.00 2.13 C ATOM 1158 CG GLN A 75 -5.329 19.371 -25.901 1.00 2.43 C ATOM 1159 CD GLN A 75 -4.340 20.072 -26.812 1.00 13.02 C ATOM 1160 OE1 GLN A 75 -3.610 19.429 -27.566 1.00 61.21 O ATOM 1161 NE2 GLN A 75 -4.312 21.398 -26.747 1.00 10.11 N ATOM 0 H GLN A 75 -7.072 21.262 -24.683 1.00 61.20 H new ATOM 0 HA GLN A 75 -8.784 19.218 -25.714 1.00 53.45 H new ATOM 0 HB2 GLN A 75 -6.953 18.710 -27.127 1.00 2.13 H new ATOM 0 HB3 GLN A 75 -6.885 20.447 -26.901 1.00 2.13 H new ATOM 0 HG2 GLN A 75 -5.255 19.792 -24.898 1.00 2.43 H new ATOM 0 HG3 GLN A 75 -5.062 18.317 -25.824 1.00 2.43 H new ATOM 0 HE21 GLN A 75 -4.935 21.891 -26.107 1.00 10.11 H new ATOM 0 HE22 GLN A 75 -3.667 21.924 -27.337 1.00 10.11 H new ATOM 1170 N GLN A 76 -7.113 17.080 -24.975 1.00 50.32 N ATOM 1171 CA GLN A 76 -6.775 15.879 -24.221 1.00 64.13 C ATOM 1172 C GLN A 76 -5.327 15.470 -24.470 1.00 5.01 C ATOM 1173 O GLN A 76 -5.059 14.477 -25.147 1.00 0.24 O ATOM 1174 CB GLN A 76 -7.713 14.732 -24.601 1.00 11.04 C ATOM 1175 CG GLN A 76 -7.843 14.523 -26.101 1.00 14.42 C ATOM 1176 CD GLN A 76 -8.767 15.534 -26.753 1.00 22.35 C ATOM 1177 OE1 GLN A 76 -9.978 15.520 -26.528 1.00 45.45 O ATOM 1178 NE2 GLN A 76 -8.199 16.417 -27.565 1.00 1.42 N ATOM 0 H GLN A 76 -7.047 16.975 -25.987 1.00 50.32 H new ATOM 0 HA GLN A 76 -6.894 16.101 -23.160 1.00 64.13 H new ATOM 0 HB2 GLN A 76 -7.350 13.811 -24.144 1.00 11.04 H new ATOM 0 HB3 GLN A 76 -8.700 14.928 -24.183 1.00 11.04 H new ATOM 0 HG2 GLN A 76 -6.857 14.589 -26.560 1.00 14.42 H new ATOM 0 HG3 GLN A 76 -8.217 13.517 -26.293 1.00 14.42 H new ATOM 0 HE21 GLN A 76 -7.191 16.391 -27.722 1.00 1.42 H new ATOM 0 HE22 GLN A 76 -8.770 17.121 -28.032 1.00 1.42 H new ATOM 1187 N SER A 77 -4.396 16.242 -23.918 1.00 42.35 N ATOM 1188 CA SER A 77 -2.974 15.963 -24.084 1.00 32.20 C ATOM 1189 C SER A 77 -2.187 16.407 -22.855 1.00 24.51 C ATOM 1190 O SER A 77 -0.956 16.456 -22.875 1.00 52.11 O ATOM 1191 CB SER A 77 -2.436 16.668 -25.331 1.00 21.25 C ATOM 1192 OG SER A 77 -1.052 16.414 -25.502 1.00 53.33 O ATOM 0 H SER A 77 -4.601 17.065 -23.352 1.00 42.35 H new ATOM 0 HA SER A 77 -2.851 14.887 -24.203 1.00 32.20 H new ATOM 0 HB2 SER A 77 -2.983 16.327 -26.210 1.00 21.25 H new ATOM 0 HB3 SER A 77 -2.605 17.742 -25.247 1.00 21.25 H new ATOM 0 HG SER A 77 -0.580 16.592 -24.662 1.00 53.33 H new ATOM 1198 N THR A 78 -2.905 16.729 -21.784 1.00 13.01 N ATOM 1199 CA THR A 78 -2.276 17.170 -20.546 1.00 21.14 C ATOM 1200 C THR A 78 -1.605 16.006 -19.825 1.00 12.00 C ATOM 1201 O THR A 78 -2.153 14.905 -19.759 1.00 63.43 O ATOM 1202 CB THR A 78 -3.298 17.825 -19.598 1.00 34.01 C ATOM 1203 OG1 THR A 78 -3.743 19.072 -20.143 1.00 42.22 O ATOM 1204 CG2 THR A 78 -2.691 18.055 -18.222 1.00 73.21 C ATOM 0 H THR A 78 -3.924 16.692 -21.749 1.00 13.01 H new ATOM 0 HA THR A 78 -1.522 17.908 -20.821 1.00 21.14 H new ATOM 0 HB THR A 78 -4.148 17.150 -19.494 1.00 34.01 H new ATOM 0 HG1 THR A 78 -4.394 19.481 -19.535 1.00 42.22 H new ATOM 0 HG21 THR A 78 -3.432 18.518 -17.570 1.00 73.21 H new ATOM 0 HG22 THR A 78 -2.380 17.100 -17.797 1.00 73.21 H new ATOM 0 HG23 THR A 78 -1.825 18.711 -18.311 1.00 73.21 H new ATOM 1212 N LEU A 79 -0.418 16.256 -19.285 1.00 4.11 N ATOM 1213 CA LEU A 79 0.328 15.228 -18.567 1.00 44.13 C ATOM 1214 C LEU A 79 1.306 15.855 -17.578 1.00 51.14 C ATOM 1215 O LEU A 79 2.116 16.706 -17.947 1.00 2.14 O ATOM 1216 CB LEU A 79 1.085 14.337 -19.554 1.00 34.42 C ATOM 1217 CG LEU A 79 2.504 13.939 -19.147 1.00 40.12 C ATOM 1218 CD1 LEU A 79 2.486 13.150 -17.847 1.00 74.35 C ATOM 1219 CD2 LEU A 79 3.170 13.133 -20.253 1.00 52.43 C ATOM 0 H LEU A 79 0.049 17.162 -19.330 1.00 4.11 H new ATOM 0 HA LEU A 79 -0.384 14.620 -18.009 1.00 44.13 H new ATOM 0 HB2 LEU A 79 0.505 13.428 -19.710 1.00 34.42 H new ATOM 0 HB3 LEU A 79 1.135 14.852 -20.513 1.00 34.42 H new ATOM 0 HG LEU A 79 3.084 14.848 -18.988 1.00 40.12 H new ATOM 0 HD11 LEU A 79 3.505 12.876 -17.574 1.00 74.35 H new ATOM 0 HD12 LEU A 79 2.050 13.761 -17.057 1.00 74.35 H new ATOM 0 HD13 LEU A 79 1.890 12.247 -17.978 1.00 74.35 H new ATOM 0 HD21 LEU A 79 4.179 12.858 -19.946 1.00 52.43 H new ATOM 0 HD22 LEU A 79 2.591 12.230 -20.444 1.00 52.43 H new ATOM 0 HD23 LEU A 79 3.218 13.733 -21.162 1.00 52.43 H new ATOM 1231 N ILE A 80 1.225 15.427 -16.323 1.00 3.40 N ATOM 1232 CA ILE A 80 2.105 15.945 -15.282 1.00 61.43 C ATOM 1233 C ILE A 80 2.201 14.973 -14.111 1.00 0.33 C ATOM 1234 O ILE A 80 1.207 14.694 -13.439 1.00 22.33 O ATOM 1235 CB ILE A 80 1.620 17.311 -14.763 1.00 45.22 C ATOM 1236 CG1 ILE A 80 2.494 17.777 -13.596 1.00 73.13 C ATOM 1237 CG2 ILE A 80 0.161 17.230 -14.340 1.00 42.15 C ATOM 1238 CD1 ILE A 80 2.204 19.194 -13.153 1.00 22.22 C ATOM 0 H ILE A 80 0.560 14.724 -16.002 1.00 3.40 H new ATOM 0 HA ILE A 80 3.090 16.066 -15.732 1.00 61.43 H new ATOM 0 HB ILE A 80 1.704 18.040 -15.569 1.00 45.22 H new ATOM 0 HG12 ILE A 80 2.348 17.104 -12.751 1.00 73.13 H new ATOM 0 HG13 ILE A 80 3.542 17.703 -13.885 1.00 73.13 H new ATOM 0 HG21 ILE A 80 -0.167 18.204 -13.976 1.00 42.15 H new ATOM 0 HG22 ILE A 80 -0.450 16.938 -15.194 1.00 42.15 H new ATOM 0 HG23 ILE A 80 0.053 16.490 -13.547 1.00 42.15 H new ATOM 0 HD11 ILE A 80 2.860 19.457 -12.323 1.00 22.22 H new ATOM 0 HD12 ILE A 80 2.378 19.878 -13.984 1.00 22.22 H new ATOM 0 HD13 ILE A 80 1.165 19.270 -12.832 1.00 22.22 H new ATOM 1250 N LEU A 81 3.404 14.463 -13.870 1.00 35.24 N ATOM 1251 CA LEU A 81 3.631 13.523 -12.777 1.00 11.40 C ATOM 1252 C LEU A 81 4.151 14.245 -11.538 1.00 20.12 C ATOM 1253 O LEU A 81 5.161 14.946 -11.594 1.00 4.32 O ATOM 1254 CB LEU A 81 4.624 12.442 -13.206 1.00 43.22 C ATOM 1255 CG LEU A 81 5.575 11.935 -12.121 1.00 53.00 C ATOM 1256 CD1 LEU A 81 4.801 11.214 -11.028 1.00 60.44 C ATOM 1257 CD2 LEU A 81 6.631 11.019 -12.723 1.00 11.55 C ATOM 0 H LEU A 81 4.237 14.684 -14.416 1.00 35.24 H new ATOM 0 HA LEU A 81 2.679 13.055 -12.529 1.00 11.40 H new ATOM 0 HB2 LEU A 81 4.061 11.593 -13.593 1.00 43.22 H new ATOM 0 HB3 LEU A 81 5.221 12.832 -14.031 1.00 43.22 H new ATOM 0 HG LEU A 81 6.079 12.793 -11.676 1.00 53.00 H new ATOM 0 HD11 LEU A 81 5.494 10.860 -10.265 1.00 60.44 H new ATOM 0 HD12 LEU A 81 4.084 11.900 -10.577 1.00 60.44 H new ATOM 0 HD13 LEU A 81 4.270 10.365 -11.458 1.00 60.44 H new ATOM 0 HD21 LEU A 81 7.299 10.668 -11.937 1.00 11.55 H new ATOM 0 HD22 LEU A 81 6.145 10.165 -13.195 1.00 11.55 H new ATOM 0 HD23 LEU A 81 7.206 11.568 -13.469 1.00 11.55 H new ATOM 1269 N TYR A 82 3.456 14.066 -10.420 1.00 53.33 N ATOM 1270 CA TYR A 82 3.847 14.700 -9.167 1.00 40.40 C ATOM 1271 C TYR A 82 4.631 13.731 -8.287 1.00 75.14 C ATOM 1272 O TYR A 82 4.183 12.615 -8.023 1.00 30.02 O ATOM 1273 CB TYR A 82 2.612 15.202 -8.417 1.00 53.24 C ATOM 1274 CG TYR A 82 2.049 16.492 -8.972 1.00 23.42 C ATOM 1275 CD1 TYR A 82 2.232 17.696 -8.304 1.00 3.15 C ATOM 1276 CD2 TYR A 82 1.334 16.506 -10.163 1.00 22.51 C ATOM 1277 CE1 TYR A 82 1.720 18.877 -8.806 1.00 32.43 C ATOM 1278 CE2 TYR A 82 0.819 17.681 -10.673 1.00 44.42 C ATOM 1279 CZ TYR A 82 1.015 18.864 -9.991 1.00 54.20 C ATOM 1280 OH TYR A 82 0.502 20.037 -10.495 1.00 41.54 O ATOM 0 H TYR A 82 2.619 13.487 -10.356 1.00 53.33 H new ATOM 0 HA TYR A 82 4.489 15.548 -9.404 1.00 40.40 H new ATOM 0 HB2 TYR A 82 1.839 14.434 -8.451 1.00 53.24 H new ATOM 0 HB3 TYR A 82 2.869 15.349 -7.368 1.00 53.24 H new ATOM 0 HD1 TYR A 82 2.784 17.709 -7.376 1.00 3.15 H new ATOM 0 HD2 TYR A 82 1.178 15.582 -10.699 1.00 22.51 H new ATOM 0 HE1 TYR A 82 1.871 19.804 -8.274 1.00 32.43 H new ATOM 0 HE2 TYR A 82 0.266 17.674 -11.601 1.00 44.42 H new ATOM 0 HH TYR A 82 1.072 20.787 -10.223 1.00 41.54 H new ATOM 1290 N ARG A 83 5.803 14.166 -7.837 1.00 13.22 N ATOM 1291 CA ARG A 83 6.650 13.338 -6.987 1.00 70.03 C ATOM 1292 C ARG A 83 6.650 13.854 -5.551 1.00 43.24 C ATOM 1293 O ARG A 83 7.368 14.797 -5.221 1.00 21.14 O ATOM 1294 CB ARG A 83 8.080 13.309 -7.530 1.00 72.44 C ATOM 1295 CG ARG A 83 8.770 11.965 -7.357 1.00 54.33 C ATOM 1296 CD ARG A 83 10.168 12.127 -6.783 1.00 44.22 C ATOM 1297 NE ARG A 83 10.166 12.107 -5.323 1.00 25.21 N ATOM 1298 CZ ARG A 83 11.270 12.028 -4.588 1.00 31.44 C ATOM 1299 NH1 ARG A 83 12.458 11.962 -5.173 1.00 54.33 N ATOM 1300 NH2 ARG A 83 11.187 12.014 -3.263 1.00 54.24 N ATOM 0 H ARG A 83 6.188 15.087 -8.047 1.00 13.22 H new ATOM 0 HA ARG A 83 6.246 12.326 -6.991 1.00 70.03 H new ATOM 0 HB2 ARG A 83 8.063 13.565 -8.589 1.00 72.44 H new ATOM 0 HB3 ARG A 83 8.667 14.077 -7.026 1.00 72.44 H new ATOM 0 HG2 ARG A 83 8.176 11.332 -6.698 1.00 54.33 H new ATOM 0 HG3 ARG A 83 8.827 11.458 -8.320 1.00 54.33 H new ATOM 0 HD2 ARG A 83 10.808 11.327 -7.156 1.00 44.22 H new ATOM 0 HD3 ARG A 83 10.597 13.066 -7.132 1.00 44.22 H new ATOM 0 HE ARG A 83 9.268 12.156 -4.841 1.00 25.21 H new ATOM 0 HH11 ARG A 83 12.527 11.972 -6.191 1.00 54.33 H new ATOM 0 HH12 ARG A 83 13.303 11.901 -4.605 1.00 54.33 H new ATOM 0 HH21 ARG A 83 10.275 12.064 -2.809 1.00 54.24 H new ATOM 0 HH22 ARG A 83 12.035 11.953 -2.699 1.00 54.24 H new ATOM 1314 N ASN A 84 5.840 13.229 -4.703 1.00 51.42 N ATOM 1315 CA ASN A 84 5.746 13.626 -3.303 1.00 51.40 C ATOM 1316 C ASN A 84 5.123 15.013 -3.171 1.00 74.33 C ATOM 1317 O ASN A 84 5.543 15.818 -2.341 1.00 61.53 O ATOM 1318 CB ASN A 84 7.131 13.614 -2.654 1.00 22.13 C ATOM 1319 CG ASN A 84 7.063 13.446 -1.148 1.00 75.11 C ATOM 1320 OD1 ASN A 84 7.068 14.425 -0.402 1.00 54.32 O ATOM 1321 ND2 ASN A 84 6.998 12.200 -0.694 1.00 61.43 N ATOM 0 H ASN A 84 5.239 12.446 -4.961 1.00 51.42 H new ATOM 0 HA ASN A 84 5.105 12.909 -2.790 1.00 51.40 H new ATOM 0 HB2 ASN A 84 7.722 12.804 -3.081 1.00 22.13 H new ATOM 0 HB3 ASN A 84 7.648 14.544 -2.890 1.00 22.13 H new ATOM 0 HD21 ASN A 84 6.950 12.025 0.310 1.00 61.43 H new ATOM 0 HD22 ASN A 84 6.996 11.418 -1.349 1.00 61.43 H new ATOM 1328 N GLY A 85 4.116 15.284 -3.997 1.00 10.14 N ATOM 1329 CA GLY A 85 3.450 16.573 -3.956 1.00 45.11 C ATOM 1330 C GLY A 85 4.257 17.663 -4.634 1.00 15.31 C ATOM 1331 O GLY A 85 4.174 18.831 -4.254 1.00 62.02 O ATOM 0 H GLY A 85 3.750 14.634 -4.693 1.00 10.14 H new ATOM 0 HA2 GLY A 85 2.477 16.491 -4.440 1.00 45.11 H new ATOM 0 HA3 GLY A 85 3.268 16.852 -2.918 1.00 45.11 H new ATOM 1335 N GLN A 86 5.039 17.281 -5.638 1.00 54.23 N ATOM 1336 CA GLN A 86 5.865 18.236 -6.368 1.00 73.43 C ATOM 1337 C GLN A 86 5.806 17.970 -7.869 1.00 3.00 C ATOM 1338 O GLN A 86 6.022 16.845 -8.318 1.00 25.00 O ATOM 1339 CB GLN A 86 7.313 18.165 -5.882 1.00 2.22 C ATOM 1340 CG GLN A 86 7.783 19.431 -5.183 1.00 53.15 C ATOM 1341 CD GLN A 86 8.237 19.178 -3.759 1.00 70.15 C ATOM 1342 OE1 GLN A 86 9.333 18.667 -3.527 1.00 1.53 O ATOM 1343 NE2 GLN A 86 7.395 19.535 -2.797 1.00 34.41 N ATOM 0 H GLN A 86 5.118 16.318 -5.965 1.00 54.23 H new ATOM 0 HA GLN A 86 5.474 19.236 -6.179 1.00 73.43 H new ATOM 0 HB2 GLN A 86 7.417 17.322 -5.198 1.00 2.22 H new ATOM 0 HB3 GLN A 86 7.964 17.967 -6.734 1.00 2.22 H new ATOM 0 HG2 GLN A 86 8.604 19.870 -5.749 1.00 53.15 H new ATOM 0 HG3 GLN A 86 6.973 20.160 -5.178 1.00 53.15 H new ATOM 0 HE21 GLN A 86 6.497 19.955 -3.036 1.00 34.41 H new ATOM 0 HE22 GLN A 86 7.646 19.389 -1.819 1.00 34.41 H new ATOM 1352 N GLU A 87 5.512 19.013 -8.639 1.00 4.33 N ATOM 1353 CA GLU A 87 5.425 18.891 -10.089 1.00 74.11 C ATOM 1354 C GLU A 87 6.814 18.884 -10.720 1.00 23.14 C ATOM 1355 O GLU A 87 7.524 19.890 -10.697 1.00 74.12 O ATOM 1356 CB GLU A 87 4.595 20.037 -10.671 1.00 14.35 C ATOM 1357 CG GLU A 87 5.086 21.415 -10.258 1.00 31.30 C ATOM 1358 CD GLU A 87 4.031 22.212 -9.516 1.00 51.43 C ATOM 1359 OE1 GLU A 87 4.123 22.306 -8.274 1.00 42.12 O ATOM 1360 OE2 GLU A 87 3.114 22.742 -10.177 1.00 15.40 O ATOM 0 H GLU A 87 5.330 19.951 -8.283 1.00 4.33 H new ATOM 0 HA GLU A 87 4.936 17.944 -10.318 1.00 74.11 H new ATOM 0 HB2 GLU A 87 4.607 19.967 -11.759 1.00 14.35 H new ATOM 0 HB3 GLU A 87 3.558 19.920 -10.355 1.00 14.35 H new ATOM 0 HG2 GLU A 87 5.967 21.308 -9.625 1.00 31.30 H new ATOM 0 HG3 GLU A 87 5.396 21.967 -11.145 1.00 31.30 H new ATOM 1367 N VAL A 88 7.197 17.742 -11.281 1.00 60.44 N ATOM 1368 CA VAL A 88 8.501 17.602 -11.919 1.00 11.33 C ATOM 1369 C VAL A 88 8.468 18.113 -13.355 1.00 1.43 C ATOM 1370 O VAL A 88 9.107 19.113 -13.683 1.00 62.02 O ATOM 1371 CB VAL A 88 8.972 16.136 -11.918 1.00 22.10 C ATOM 1372 CG1 VAL A 88 10.300 16.001 -12.648 1.00 11.20 C ATOM 1373 CG2 VAL A 88 9.082 15.613 -10.494 1.00 20.32 C ATOM 0 H VAL A 88 6.623 16.899 -11.307 1.00 60.44 H new ATOM 0 HA VAL A 88 9.203 18.201 -11.339 1.00 11.33 H new ATOM 0 HB VAL A 88 8.232 15.535 -12.446 1.00 22.10 H new ATOM 0 HG11 VAL A 88 10.617 14.958 -12.637 1.00 11.20 H new ATOM 0 HG12 VAL A 88 10.184 16.334 -13.679 1.00 11.20 H new ATOM 0 HG13 VAL A 88 11.052 16.614 -12.151 1.00 11.20 H new ATOM 0 HG21 VAL A 88 9.416 14.576 -10.512 1.00 20.32 H new ATOM 0 HG22 VAL A 88 9.801 16.216 -9.939 1.00 20.32 H new ATOM 0 HG23 VAL A 88 8.108 15.672 -10.008 1.00 20.32 H new ATOM 1383 N ARG A 89 7.719 17.421 -14.206 1.00 72.04 N ATOM 1384 CA ARG A 89 7.603 17.804 -15.608 1.00 51.42 C ATOM 1385 C ARG A 89 6.142 17.817 -16.050 1.00 23.45 C ATOM 1386 O ARG A 89 5.320 17.061 -15.530 1.00 44.33 O ATOM 1387 CB ARG A 89 8.405 16.845 -16.489 1.00 60.03 C ATOM 1388 CG ARG A 89 9.707 17.436 -17.004 1.00 65.42 C ATOM 1389 CD ARG A 89 10.815 17.332 -15.967 1.00 73.51 C ATOM 1390 NE ARG A 89 12.140 17.312 -16.581 1.00 73.42 N ATOM 1391 CZ ARG A 89 12.774 18.402 -16.996 1.00 53.44 C ATOM 1392 NH1 ARG A 89 12.207 19.594 -16.864 1.00 30.33 N ATOM 1393 NH2 ARG A 89 13.978 18.303 -17.545 1.00 53.03 N ATOM 0 H ARG A 89 7.183 16.592 -13.950 1.00 72.04 H new ATOM 0 HA ARG A 89 8.006 18.811 -15.718 1.00 51.42 H new ATOM 0 HB2 ARG A 89 8.626 15.941 -15.921 1.00 60.03 H new ATOM 0 HB3 ARG A 89 7.791 16.545 -17.338 1.00 60.03 H new ATOM 0 HG2 ARG A 89 10.009 16.917 -17.914 1.00 65.42 H new ATOM 0 HG3 ARG A 89 9.553 18.482 -17.270 1.00 65.42 H new ATOM 0 HD2 ARG A 89 10.747 18.174 -15.279 1.00 73.51 H new ATOM 0 HD3 ARG A 89 10.675 16.426 -15.377 1.00 73.51 H new ATOM 0 HE ARG A 89 12.604 16.411 -16.697 1.00 73.42 H new ATOM 0 HH11 ARG A 89 11.282 19.675 -16.443 1.00 30.33 H new ATOM 0 HH12 ARG A 89 12.696 20.430 -17.184 1.00 30.33 H new ATOM 0 HH21 ARG A 89 14.418 17.388 -17.649 1.00 53.03 H new ATOM 0 HH22 ARG A 89 14.464 19.141 -17.863 1.00 53.03 H new ATOM 1407 N ARG A 90 5.827 18.679 -17.010 1.00 50.21 N ATOM 1408 CA ARG A 90 4.466 18.791 -17.520 1.00 14.02 C ATOM 1409 C ARG A 90 4.454 19.434 -18.904 1.00 24.23 C ATOM 1410 O ARG A 90 5.263 20.315 -19.197 1.00 33.35 O ATOM 1411 CB ARG A 90 3.604 19.611 -16.558 1.00 31.01 C ATOM 1412 CG ARG A 90 2.256 20.010 -17.137 1.00 5.42 C ATOM 1413 CD ARG A 90 2.314 21.385 -17.785 1.00 31.21 C ATOM 1414 NE ARG A 90 0.988 21.980 -17.924 1.00 13.43 N ATOM 1415 CZ ARG A 90 0.748 23.087 -18.618 1.00 40.12 C ATOM 1416 NH1 ARG A 90 1.740 23.715 -19.234 1.00 41.01 N ATOM 1417 NH2 ARG A 90 -0.486 23.568 -18.698 1.00 33.40 N ATOM 0 H ARG A 90 6.496 19.311 -17.451 1.00 50.21 H new ATOM 0 HA ARG A 90 4.052 17.786 -17.602 1.00 14.02 H new ATOM 0 HB2 ARG A 90 3.442 19.035 -15.647 1.00 31.01 H new ATOM 0 HB3 ARG A 90 4.148 20.511 -16.273 1.00 31.01 H new ATOM 0 HG2 ARG A 90 1.943 19.272 -17.875 1.00 5.42 H new ATOM 0 HG3 ARG A 90 1.505 20.010 -16.347 1.00 5.42 H new ATOM 0 HD2 ARG A 90 2.945 22.042 -17.186 1.00 31.21 H new ATOM 0 HD3 ARG A 90 2.780 21.304 -18.767 1.00 31.21 H new ATOM 0 HE ARG A 90 0.203 21.520 -17.463 1.00 13.43 H new ATOM 0 HH11 ARG A 90 2.690 23.348 -19.176 1.00 41.01 H new ATOM 0 HH12 ARG A 90 1.553 24.565 -19.766 1.00 41.01 H new ATOM 0 HH21 ARG A 90 -1.252 23.088 -18.226 1.00 33.40 H new ATOM 0 HH22 ARG A 90 -0.668 24.418 -19.231 1.00 33.40 H new ATOM 1431 N SER A 91 3.533 18.986 -19.751 1.00 1.31 N ATOM 1432 CA SER A 91 3.419 19.514 -21.105 1.00 43.43 C ATOM 1433 C SER A 91 2.062 19.170 -21.710 1.00 73.14 C ATOM 1434 O SER A 91 1.613 18.025 -21.645 1.00 25.12 O ATOM 1435 CB SER A 91 4.539 18.959 -21.988 1.00 2.54 C ATOM 1436 OG SER A 91 4.036 18.532 -23.242 1.00 2.14 O ATOM 0 H SER A 91 2.855 18.259 -19.523 1.00 1.31 H new ATOM 0 HA SER A 91 3.510 20.599 -21.054 1.00 43.43 H new ATOM 0 HB2 SER A 91 5.300 19.725 -22.140 1.00 2.54 H new ATOM 0 HB3 SER A 91 5.024 18.123 -21.483 1.00 2.54 H new ATOM 0 HG SER A 91 4.770 18.177 -23.785 1.00 2.14 H new ATOM 1442 N ILE A 92 1.413 20.169 -22.299 1.00 32.11 N ATOM 1443 CA ILE A 92 0.107 19.972 -22.917 1.00 3.43 C ATOM 1444 C ILE A 92 0.158 20.262 -24.413 1.00 11.31 C ATOM 1445 O ILE A 92 0.803 21.214 -24.850 1.00 1.20 O ATOM 1446 CB ILE A 92 -0.963 20.869 -22.267 1.00 75.14 C ATOM 1447 CG1 ILE A 92 -2.356 20.486 -22.774 1.00 3.31 C ATOM 1448 CG2 ILE A 92 -0.673 22.334 -22.556 1.00 12.24 C ATOM 1449 CD1 ILE A 92 -2.795 21.275 -23.987 1.00 50.24 C ATOM 0 H ILE A 92 1.770 21.122 -22.361 1.00 32.11 H new ATOM 0 HA ILE A 92 -0.163 18.927 -22.761 1.00 3.43 H new ATOM 0 HB ILE A 92 -0.935 20.720 -21.188 1.00 75.14 H new ATOM 0 HG12 ILE A 92 -2.365 19.424 -23.019 1.00 3.31 H new ATOM 0 HG13 ILE A 92 -3.079 20.635 -21.972 1.00 3.31 H new ATOM 0 HG21 ILE A 92 -1.438 22.955 -22.090 1.00 12.24 H new ATOM 0 HG22 ILE A 92 0.304 22.598 -22.152 1.00 12.24 H new ATOM 0 HG23 ILE A 92 -0.677 22.500 -23.633 1.00 12.24 H new ATOM 0 HD11 ILE A 92 -3.790 20.951 -24.291 1.00 50.24 H new ATOM 0 HD12 ILE A 92 -2.818 22.337 -23.742 1.00 50.24 H new ATOM 0 HD13 ILE A 92 -2.093 21.107 -24.804 1.00 50.24 H new ATOM 1461 N GLY A 93 -0.530 19.435 -25.194 1.00 64.33 N ATOM 1462 CA GLY A 93 -0.551 19.620 -26.633 1.00 75.25 C ATOM 1463 C GLY A 93 -0.361 18.319 -27.388 1.00 43.33 C ATOM 1464 O GLY A 93 -1.181 17.958 -28.231 1.00 72.11 O ATOM 0 H GLY A 93 -1.073 18.640 -24.856 1.00 64.33 H new ATOM 0 HA2 GLY A 93 -1.500 20.070 -26.924 1.00 75.25 H new ATOM 0 HA3 GLY A 93 0.235 20.320 -26.918 1.00 75.25 H new ATOM 1468 N GLU A 94 0.726 17.615 -27.086 1.00 50.45 N ATOM 1469 CA GLU A 94 1.022 16.349 -27.745 1.00 63.24 C ATOM 1470 C GLU A 94 2.372 15.802 -27.291 1.00 23.34 C ATOM 1471 O GLU A 94 3.063 16.417 -26.478 1.00 22.13 O ATOM 1472 CB GLU A 94 1.017 16.526 -29.265 1.00 63.33 C ATOM 1473 CG GLU A 94 1.698 17.801 -29.732 1.00 2.42 C ATOM 1474 CD GLU A 94 2.565 17.586 -30.957 1.00 74.44 C ATOM 1475 OE1 GLU A 94 2.315 18.251 -31.984 1.00 73.15 O ATOM 1476 OE2 GLU A 94 3.492 16.752 -30.890 1.00 73.10 O ATOM 0 H GLU A 94 1.415 17.900 -26.390 1.00 50.45 H new ATOM 0 HA GLU A 94 0.247 15.635 -27.467 1.00 63.24 H new ATOM 0 HB2 GLU A 94 1.513 15.670 -29.723 1.00 63.33 H new ATOM 0 HB3 GLU A 94 -0.014 16.524 -29.619 1.00 63.33 H new ATOM 0 HG2 GLU A 94 0.940 18.552 -29.955 1.00 2.42 H new ATOM 0 HG3 GLU A 94 2.311 18.198 -28.923 1.00 2.42 H new ATOM 1483 N THR A 95 2.742 14.640 -27.821 1.00 24.15 N ATOM 1484 CA THR A 95 4.008 14.008 -27.469 1.00 33.11 C ATOM 1485 C THR A 95 5.160 15.002 -27.550 1.00 2.41 C ATOM 1486 O THR A 95 5.450 15.546 -28.616 1.00 32.13 O ATOM 1487 CB THR A 95 4.312 12.810 -28.389 1.00 2.45 C ATOM 1488 OG1 THR A 95 3.105 12.096 -28.679 1.00 5.31 O ATOM 1489 CG2 THR A 95 5.319 11.872 -27.740 1.00 0.30 C ATOM 0 H THR A 95 2.183 14.118 -28.495 1.00 24.15 H new ATOM 0 HA THR A 95 3.910 13.653 -26.443 1.00 33.11 H new ATOM 0 HB THR A 95 4.739 13.191 -29.316 1.00 2.45 H new ATOM 0 HG1 THR A 95 3.307 11.337 -29.266 1.00 5.31 H new ATOM 0 HG21 THR A 95 5.518 11.034 -28.408 1.00 0.30 H new ATOM 0 HG22 THR A 95 6.247 12.411 -27.547 1.00 0.30 H new ATOM 0 HG23 THR A 95 4.914 11.498 -26.799 1.00 0.30 H new ATOM 1497 N SER A 96 5.815 15.236 -26.417 1.00 63.51 N ATOM 1498 CA SER A 96 6.935 16.168 -26.360 1.00 23.42 C ATOM 1499 C SER A 96 7.991 15.688 -25.369 1.00 24.41 C ATOM 1500 O SER A 96 7.731 14.855 -24.500 1.00 64.10 O ATOM 1501 CB SER A 96 6.446 17.562 -25.965 1.00 13.31 C ATOM 1502 OG SER A 96 5.176 17.499 -25.338 1.00 64.21 O ATOM 0 H SER A 96 5.589 14.793 -25.526 1.00 63.51 H new ATOM 0 HA SER A 96 7.386 16.216 -27.351 1.00 23.42 H new ATOM 0 HB2 SER A 96 7.166 18.025 -25.290 1.00 13.31 H new ATOM 0 HB3 SER A 96 6.387 18.194 -26.851 1.00 13.31 H new ATOM 0 HG SER A 96 4.484 17.349 -26.015 1.00 64.21 H new ATOM 1508 N PRO A 97 9.213 16.225 -25.501 1.00 63.33 N ATOM 1509 CA PRO A 97 10.334 15.867 -24.627 1.00 2.21 C ATOM 1510 C PRO A 97 10.151 16.390 -23.206 1.00 50.54 C ATOM 1511 O PRO A 97 10.803 15.922 -22.273 1.00 72.12 O ATOM 1512 CB PRO A 97 11.535 16.543 -25.295 1.00 35.52 C ATOM 1513 CG PRO A 97 10.952 17.681 -26.058 1.00 40.44 C ATOM 1514 CD PRO A 97 9.595 17.223 -26.515 1.00 35.14 C ATOM 0 HA PRO A 97 10.440 14.787 -24.521 1.00 2.21 H new ATOM 0 HB2 PRO A 97 12.256 16.890 -24.555 1.00 35.52 H new ATOM 0 HB3 PRO A 97 12.062 15.853 -25.954 1.00 35.52 H new ATOM 0 HG2 PRO A 97 10.873 18.570 -25.433 1.00 40.44 H new ATOM 0 HG3 PRO A 97 11.582 17.944 -26.908 1.00 40.44 H new ATOM 0 HD2 PRO A 97 8.884 18.049 -26.554 1.00 35.14 H new ATOM 0 HD3 PRO A 97 9.633 16.787 -27.513 1.00 35.14 H new ATOM 1522 N SER A 98 9.260 17.364 -23.050 1.00 13.04 N ATOM 1523 CA SER A 98 8.993 17.953 -21.743 1.00 3.34 C ATOM 1524 C SER A 98 7.878 17.200 -21.024 1.00 71.02 C ATOM 1525 O SER A 98 7.763 17.258 -19.800 1.00 63.43 O ATOM 1526 CB SER A 98 8.614 19.428 -21.892 1.00 61.12 C ATOM 1527 OG SER A 98 7.820 19.863 -20.802 1.00 53.35 O ATOM 0 H SER A 98 8.711 17.762 -23.812 1.00 13.04 H new ATOM 0 HA SER A 98 9.902 17.877 -21.146 1.00 3.34 H new ATOM 0 HB2 SER A 98 9.518 20.035 -21.953 1.00 61.12 H new ATOM 0 HB3 SER A 98 8.069 19.574 -22.824 1.00 61.12 H new ATOM 0 HG SER A 98 7.592 20.809 -20.920 1.00 53.35 H new ATOM 1533 N ALA A 99 7.058 16.494 -21.795 1.00 74.33 N ATOM 1534 CA ALA A 99 5.952 15.727 -21.234 1.00 3.02 C ATOM 1535 C ALA A 99 6.407 14.333 -20.817 1.00 23.41 C ATOM 1536 O ALA A 99 5.985 13.814 -19.782 1.00 43.04 O ATOM 1537 CB ALA A 99 4.811 15.634 -22.236 1.00 44.42 C ATOM 0 H ALA A 99 7.138 16.437 -22.810 1.00 74.33 H new ATOM 0 HA ALA A 99 5.597 16.247 -20.344 1.00 3.02 H new ATOM 0 HB1 ALA A 99 3.993 15.059 -21.803 1.00 44.42 H new ATOM 0 HB2 ALA A 99 4.460 16.636 -22.482 1.00 44.42 H new ATOM 0 HB3 ALA A 99 5.162 15.140 -23.142 1.00 44.42 H new ATOM 1543 N LEU A 100 7.269 13.730 -21.628 1.00 64.40 N ATOM 1544 CA LEU A 100 7.782 12.394 -21.344 1.00 33.45 C ATOM 1545 C LEU A 100 8.979 12.459 -20.401 1.00 21.11 C ATOM 1546 O LEU A 100 9.336 11.467 -19.765 1.00 13.22 O ATOM 1547 CB LEU A 100 8.179 11.691 -22.643 1.00 33.11 C ATOM 1548 CG LEU A 100 9.090 10.472 -22.495 1.00 73.33 C ATOM 1549 CD1 LEU A 100 8.401 9.386 -21.683 1.00 70.24 C ATOM 1550 CD2 LEU A 100 9.496 9.941 -23.862 1.00 44.24 C ATOM 0 H LEU A 100 7.628 14.145 -22.488 1.00 64.40 H new ATOM 0 HA LEU A 100 6.990 11.824 -20.858 1.00 33.45 H new ATOM 0 HB2 LEU A 100 7.269 11.380 -23.157 1.00 33.11 H new ATOM 0 HB3 LEU A 100 8.677 12.416 -23.287 1.00 33.11 H new ATOM 0 HG LEU A 100 9.991 10.778 -21.963 1.00 73.33 H new ATOM 0 HD11 LEU A 100 9.064 8.526 -21.588 1.00 70.24 H new ATOM 0 HD12 LEU A 100 8.161 9.770 -20.692 1.00 70.24 H new ATOM 0 HD13 LEU A 100 7.483 9.082 -22.187 1.00 70.24 H new ATOM 0 HD21 LEU A 100 10.144 9.074 -23.738 1.00 44.24 H new ATOM 0 HD22 LEU A 100 8.605 9.651 -24.419 1.00 44.24 H new ATOM 0 HD23 LEU A 100 10.030 10.717 -24.410 1.00 44.24 H new ATOM 1562 N SER A 101 9.595 13.634 -20.315 1.00 34.23 N ATOM 1563 CA SER A 101 10.753 13.828 -19.451 1.00 1.42 C ATOM 1564 C SER A 101 10.428 13.444 -18.011 1.00 35.43 C ATOM 1565 O SER A 101 11.324 13.183 -17.208 1.00 42.52 O ATOM 1566 CB SER A 101 11.220 15.284 -19.508 1.00 41.15 C ATOM 1567 OG SER A 101 12.397 15.411 -20.287 1.00 42.52 O ATOM 0 H SER A 101 9.311 14.466 -20.833 1.00 34.23 H new ATOM 0 HA SER A 101 11.554 13.181 -19.809 1.00 1.42 H new ATOM 0 HB2 SER A 101 10.431 15.906 -19.931 1.00 41.15 H new ATOM 0 HB3 SER A 101 11.407 15.649 -18.498 1.00 41.15 H new ATOM 0 HG SER A 101 12.155 15.627 -21.212 1.00 42.52 H new ATOM 1573 N ASP A 102 9.139 13.410 -17.691 1.00 74.22 N ATOM 1574 CA ASP A 102 8.693 13.056 -16.349 1.00 34.14 C ATOM 1575 C ASP A 102 8.579 11.542 -16.195 1.00 51.50 C ATOM 1576 O ASP A 102 8.682 11.011 -15.089 1.00 70.34 O ATOM 1577 CB ASP A 102 7.346 13.714 -16.045 1.00 50.53 C ATOM 1578 CG ASP A 102 7.240 14.179 -14.606 1.00 73.01 C ATOM 1579 OD1 ASP A 102 8.026 13.693 -13.766 1.00 0.21 O ATOM 1580 OD2 ASP A 102 6.371 15.029 -14.320 1.00 31.10 O ATOM 0 H ASP A 102 8.384 13.623 -18.343 1.00 74.22 H new ATOM 0 HA ASP A 102 9.435 13.421 -15.639 1.00 34.14 H new ATOM 0 HB2 ASP A 102 7.203 14.565 -16.710 1.00 50.53 H new ATOM 0 HB3 ASP A 102 6.544 13.007 -16.255 1.00 50.53 H new ATOM 1585 N PHE A 103 8.365 10.854 -17.311 1.00 54.03 N ATOM 1586 CA PHE A 103 8.235 9.402 -17.301 1.00 35.43 C ATOM 1587 C PHE A 103 9.598 8.732 -17.442 1.00 45.34 C ATOM 1588 O PHE A 103 9.800 7.605 -16.988 1.00 51.14 O ATOM 1589 CB PHE A 103 7.309 8.943 -18.430 1.00 21.03 C ATOM 1590 CG PHE A 103 6.255 7.970 -17.983 1.00 45.22 C ATOM 1591 CD1 PHE A 103 4.950 8.087 -18.433 1.00 43.32 C ATOM 1592 CD2 PHE A 103 6.570 6.939 -17.113 1.00 62.21 C ATOM 1593 CE1 PHE A 103 3.978 7.194 -18.025 1.00 23.54 C ATOM 1594 CE2 PHE A 103 5.603 6.042 -16.701 1.00 74.25 C ATOM 1595 CZ PHE A 103 4.305 6.170 -17.157 1.00 11.13 C ATOM 0 H PHE A 103 8.278 11.279 -18.234 1.00 54.03 H new ATOM 0 HA PHE A 103 7.803 9.108 -16.344 1.00 35.43 H new ATOM 0 HB2 PHE A 103 6.824 9.815 -18.869 1.00 21.03 H new ATOM 0 HB3 PHE A 103 7.908 8.482 -19.216 1.00 21.03 H new ATOM 0 HD1 PHE A 103 4.689 8.886 -19.111 1.00 43.32 H new ATOM 0 HD2 PHE A 103 7.583 6.835 -16.753 1.00 62.21 H new ATOM 0 HE1 PHE A 103 2.965 7.296 -18.384 1.00 23.54 H new ATOM 0 HE2 PHE A 103 5.861 5.242 -16.023 1.00 74.25 H new ATOM 0 HZ PHE A 103 3.547 5.471 -16.835 1.00 11.13 H new ATOM 1605 N LEU A 104 10.532 9.434 -18.076 1.00 30.04 N ATOM 1606 CA LEU A 104 11.878 8.909 -18.278 1.00 72.15 C ATOM 1607 C LEU A 104 12.808 9.346 -17.152 1.00 23.45 C ATOM 1608 O LEU A 104 13.849 8.731 -16.917 1.00 64.22 O ATOM 1609 CB LEU A 104 12.432 9.379 -19.624 1.00 44.13 C ATOM 1610 CG LEU A 104 13.942 9.228 -19.818 1.00 33.10 C ATOM 1611 CD1 LEU A 104 14.340 7.761 -19.786 1.00 73.51 C ATOM 1612 CD2 LEU A 104 14.379 9.873 -21.125 1.00 72.32 C ATOM 0 H LEU A 104 10.382 10.367 -18.459 1.00 30.04 H new ATOM 0 HA LEU A 104 11.821 7.820 -18.275 1.00 72.15 H new ATOM 0 HB2 LEU A 104 11.927 8.825 -20.415 1.00 44.13 H new ATOM 0 HB3 LEU A 104 12.172 10.430 -19.754 1.00 44.13 H new ATOM 0 HG LEU A 104 14.447 9.738 -18.998 1.00 33.10 H new ATOM 0 HD11 LEU A 104 15.417 7.673 -19.926 1.00 73.51 H new ATOM 0 HD12 LEU A 104 14.062 7.330 -18.824 1.00 73.51 H new ATOM 0 HD13 LEU A 104 13.826 7.227 -20.585 1.00 73.51 H new ATOM 0 HD21 LEU A 104 15.456 9.756 -21.246 1.00 72.32 H new ATOM 0 HD22 LEU A 104 13.866 9.392 -21.958 1.00 72.32 H new ATOM 0 HD23 LEU A 104 14.129 10.934 -21.109 1.00 72.32 H new ATOM 1624 N THR A 105 12.425 10.411 -16.454 1.00 24.52 N ATOM 1625 CA THR A 105 13.224 10.929 -15.351 1.00 2.14 C ATOM 1626 C THR A 105 12.470 10.826 -14.030 1.00 1.22 C ATOM 1627 O THR A 105 12.940 11.304 -12.997 1.00 21.40 O ATOM 1628 CB THR A 105 13.623 12.398 -15.588 1.00 22.13 C ATOM 1629 OG1 THR A 105 13.797 12.638 -16.989 1.00 2.24 O ATOM 1630 CG2 THR A 105 14.908 12.736 -14.847 1.00 12.14 C ATOM 0 H THR A 105 11.566 10.931 -16.633 1.00 24.52 H new ATOM 0 HA THR A 105 14.126 10.319 -15.300 1.00 2.14 H new ATOM 0 HB THR A 105 12.824 13.035 -15.207 1.00 22.13 H new ATOM 0 HG1 THR A 105 12.937 12.889 -17.387 1.00 2.24 H new ATOM 0 HG21 THR A 105 15.170 13.778 -15.029 1.00 12.14 H new ATOM 0 HG22 THR A 105 14.763 12.580 -13.778 1.00 12.14 H new ATOM 0 HG23 THR A 105 15.713 12.092 -15.202 1.00 12.14 H new ATOM 1638 N ARG A 106 11.299 10.200 -14.070 1.00 34.31 N ATOM 1639 CA ARG A 106 10.479 10.035 -12.875 1.00 62.24 C ATOM 1640 C ARG A 106 9.287 9.125 -13.156 1.00 14.24 C ATOM 1641 O ARG A 106 9.390 8.169 -13.924 1.00 52.13 O ATOM 1642 CB ARG A 106 9.990 11.395 -12.375 1.00 2.14 C ATOM 1643 CG ARG A 106 9.601 11.399 -10.905 1.00 41.24 C ATOM 1644 CD ARG A 106 10.825 11.450 -10.005 1.00 25.11 C ATOM 1645 NE ARG A 106 11.160 12.816 -9.612 1.00 40.34 N ATOM 1646 CZ ARG A 106 12.349 13.175 -9.140 1.00 15.01 C ATOM 1647 NH1 ARG A 106 13.311 12.273 -9.002 1.00 53.35 N ATOM 1648 NH2 ARG A 106 12.577 14.438 -8.804 1.00 54.43 N ATOM 0 H ARG A 106 10.896 9.798 -14.917 1.00 34.31 H new ATOM 0 HA ARG A 106 11.094 9.572 -12.103 1.00 62.24 H new ATOM 0 HB2 ARG A 106 10.773 12.135 -12.537 1.00 2.14 H new ATOM 0 HB3 ARG A 106 9.131 11.704 -12.970 1.00 2.14 H new ATOM 0 HG2 ARG A 106 8.961 12.257 -10.699 1.00 41.24 H new ATOM 0 HG3 ARG A 106 9.019 10.506 -10.679 1.00 41.24 H new ATOM 0 HD2 ARG A 106 10.644 10.850 -9.113 1.00 25.11 H new ATOM 0 HD3 ARG A 106 11.674 11.003 -10.522 1.00 25.11 H new ATOM 0 HE ARG A 106 10.442 13.534 -9.705 1.00 40.34 H new ATOM 0 HH11 ARG A 106 13.139 11.301 -9.258 1.00 53.35 H new ATOM 0 HH12 ARG A 106 14.223 12.551 -8.639 1.00 53.35 H new ATOM 0 HH21 ARG A 106 11.839 15.135 -8.908 1.00 54.43 H new ATOM 0 HH22 ARG A 106 13.490 14.712 -8.442 1.00 54.43 H new TER 1662 ARG A 106