USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 833 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.482 (180deg=0.117) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= -0.0107 K(o=-0.011,f=-0.62) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -124:sc= -0.318 (180deg=-1.76!) USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= -0.408 (180deg=-0.812) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00468) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0953 K(o=-0.095,f=-2.1!) USER MOD Single : A 41 TYR OH : rot -114:sc= 0.0154 USER MOD Single : A 42 THR OG1 : rot -72:sc= 0.892 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.0049) USER MOD Single : A 49 THR OG1 : rot 36:sc= -0.047! USER MOD Single : A 51 SER OG : rot 26:sc= 0.156 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.00048) USER MOD Single : A 54 THR OG1 : rot -160:sc= -0.173 USER MOD Single : A 55 LYS NZ :NH3+ 148:sc= -0.15 (180deg=-0.944) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot 19:sc= 0.164 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc=-0.000649 K(o=-0.00065,f=-0.63) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0214 X(o=-0.021,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.442 -3.664 2.921 1.00 3.35 N ATOM 2 CA MET A 1 -2.235 -3.668 1.478 1.00 42.33 C ATOM 3 C MET A 1 -3.159 -2.665 0.793 1.00 22.45 C ATOM 4 O MET A 1 -4.168 -3.043 0.200 1.00 71.44 O ATOM 5 CB MET A 1 -2.474 -5.069 0.910 1.00 22.14 C ATOM 6 CG MET A 1 -1.352 -6.048 1.217 1.00 52.34 C ATOM 7 SD MET A 1 -1.587 -6.905 2.787 1.00 50.44 S ATOM 8 CE MET A 1 0.095 -7.394 3.159 1.00 3.25 C ATOM 0 H1 MET A 1 -2.221 -4.604 3.306 1.00 3.35 H new ATOM 0 H2 MET A 1 -1.820 -2.955 3.359 1.00 3.35 H new ATOM 0 H3 MET A 1 -3.434 -3.429 3.129 1.00 3.35 H new ATOM 0 HA MET A 1 -1.203 -3.376 1.284 1.00 42.33 H new ATOM 0 HB2 MET A 1 -3.408 -5.461 1.313 1.00 22.14 H new ATOM 0 HB3 MET A 1 -2.598 -4.998 -0.171 1.00 22.14 H new ATOM 0 HG2 MET A 1 -1.285 -6.782 0.414 1.00 52.34 H new ATOM 0 HG3 MET A 1 -0.403 -5.512 1.239 1.00 52.34 H new ATOM 0 HE1 MET A 1 0.116 -7.937 4.104 1.00 3.25 H new ATOM 0 HE2 MET A 1 0.471 -8.037 2.363 1.00 3.25 H new ATOM 0 HE3 MET A 1 0.723 -6.507 3.236 1.00 3.25 H new ATOM 18 N GLN A 2 -2.806 -1.387 0.882 1.00 12.13 N ATOM 19 CA GLN A 2 -3.605 -0.330 0.272 1.00 62.41 C ATOM 20 C GLN A 2 -3.657 -0.494 -1.243 1.00 52.43 C ATOM 21 O GLN A 2 -2.672 -0.244 -1.938 1.00 31.54 O ATOM 22 CB GLN A 2 -3.033 1.042 0.630 1.00 24.12 C ATOM 23 CG GLN A 2 -2.940 1.291 2.127 1.00 42.34 C ATOM 24 CD GLN A 2 -2.355 2.651 2.457 1.00 20.51 C ATOM 25 OE1 GLN A 2 -2.975 3.684 2.202 1.00 50.24 O ATOM 26 NE2 GLN A 2 -1.156 2.657 3.028 1.00 14.25 N ATOM 0 H GLN A 2 -1.973 -1.058 1.370 1.00 12.13 H new ATOM 0 HA GLN A 2 -4.620 -0.404 0.662 1.00 62.41 H new ATOM 0 HB2 GLN A 2 -2.040 1.138 0.192 1.00 24.12 H new ATOM 0 HB3 GLN A 2 -3.656 1.815 0.180 1.00 24.12 H new ATOM 0 HG2 GLN A 2 -3.934 1.211 2.567 1.00 42.34 H new ATOM 0 HG3 GLN A 2 -2.325 0.515 2.583 1.00 42.34 H new ATOM 0 HE21 GLN A 2 -0.679 1.777 3.221 1.00 14.25 H new ATOM 0 HE22 GLN A 2 -0.712 3.542 3.274 1.00 14.25 H new ATOM 35 N GLU A 3 -4.812 -0.914 -1.749 1.00 51.21 N ATOM 36 CA GLU A 3 -4.991 -1.112 -3.183 1.00 12.13 C ATOM 37 C GLU A 3 -6.137 -0.253 -3.711 1.00 41.34 C ATOM 38 O GLU A 3 -7.285 -0.692 -3.756 1.00 33.23 O ATOM 39 CB GLU A 3 -5.263 -2.586 -3.487 1.00 64.20 C ATOM 40 CG GLU A 3 -5.610 -2.854 -4.942 1.00 14.41 C ATOM 41 CD GLU A 3 -5.629 -4.333 -5.275 1.00 11.22 C ATOM 42 OE1 GLU A 3 -4.540 -4.940 -5.340 1.00 33.22 O ATOM 43 OE2 GLU A 3 -6.733 -4.883 -5.470 1.00 3.31 O ATOM 0 H GLU A 3 -5.638 -1.124 -1.188 1.00 51.21 H new ATOM 0 HA GLU A 3 -4.071 -0.809 -3.683 1.00 12.13 H new ATOM 0 HB2 GLU A 3 -4.384 -3.172 -3.218 1.00 64.20 H new ATOM 0 HB3 GLU A 3 -6.082 -2.933 -2.857 1.00 64.20 H new ATOM 0 HG2 GLU A 3 -6.586 -2.423 -5.164 1.00 14.41 H new ATOM 0 HG3 GLU A 3 -4.886 -2.351 -5.583 1.00 14.41 H new ATOM 50 N GLN A 4 -5.813 0.973 -4.110 1.00 22.12 N ATOM 51 CA GLN A 4 -6.815 1.894 -4.635 1.00 1.02 C ATOM 52 C GLN A 4 -7.284 1.457 -6.018 1.00 53.55 C ATOM 53 O GLN A 4 -6.473 1.188 -6.904 1.00 34.53 O ATOM 54 CB GLN A 4 -6.249 3.314 -4.699 1.00 43.23 C ATOM 55 CG GLN A 4 -5.695 3.810 -3.373 1.00 30.33 C ATOM 56 CD GLN A 4 -6.770 3.967 -2.316 1.00 3.34 C ATOM 57 OE1 GLN A 4 -7.908 4.328 -2.619 1.00 4.44 O ATOM 58 NE2 GLN A 4 -6.414 3.698 -1.065 1.00 74.41 N ATOM 0 H GLN A 4 -4.866 1.351 -4.080 1.00 22.12 H new ATOM 0 HA GLN A 4 -7.672 1.882 -3.961 1.00 1.02 H new ATOM 0 HB2 GLN A 4 -5.458 3.347 -5.449 1.00 43.23 H new ATOM 0 HB3 GLN A 4 -7.033 3.994 -5.032 1.00 43.23 H new ATOM 0 HG2 GLN A 4 -4.938 3.112 -3.016 1.00 30.33 H new ATOM 0 HG3 GLN A 4 -5.198 4.768 -3.526 1.00 30.33 H new ATOM 0 HE21 GLN A 4 -5.460 3.402 -0.859 1.00 74.41 H new ATOM 0 HE22 GLN A 4 -7.095 3.788 -0.311 1.00 74.41 H new ATOM 67 N VAL A 5 -8.600 1.390 -6.197 1.00 72.41 N ATOM 68 CA VAL A 5 -9.178 0.986 -7.474 1.00 50.01 C ATOM 69 C VAL A 5 -10.649 1.377 -7.558 1.00 52.03 C ATOM 70 O VAL A 5 -11.371 1.337 -6.562 1.00 75.15 O ATOM 71 CB VAL A 5 -9.047 -0.532 -7.694 1.00 73.10 C ATOM 72 CG1 VAL A 5 -9.797 -1.295 -6.613 1.00 21.03 C ATOM 73 CG2 VAL A 5 -9.554 -0.915 -9.076 1.00 42.14 C ATOM 0 H VAL A 5 -9.285 1.610 -5.474 1.00 72.41 H new ATOM 0 HA VAL A 5 -8.622 1.507 -8.253 1.00 50.01 H new ATOM 0 HB VAL A 5 -7.993 -0.801 -7.630 1.00 73.10 H new ATOM 0 HG11 VAL A 5 -9.693 -2.366 -6.785 1.00 21.03 H new ATOM 0 HG12 VAL A 5 -9.384 -1.043 -5.636 1.00 21.03 H new ATOM 0 HG13 VAL A 5 -10.852 -1.024 -6.642 1.00 21.03 H new ATOM 0 HG21 VAL A 5 -9.454 -1.991 -9.215 1.00 42.14 H new ATOM 0 HG22 VAL A 5 -10.603 -0.633 -9.170 1.00 42.14 H new ATOM 0 HG23 VAL A 5 -8.969 -0.395 -9.835 1.00 42.14 H new ATOM 83 N SER A 6 -11.087 1.754 -8.756 1.00 10.44 N ATOM 84 CA SER A 6 -12.473 2.155 -8.971 1.00 2.31 C ATOM 85 C SER A 6 -13.066 1.433 -10.175 1.00 33.31 C ATOM 86 O SER A 6 -13.545 2.062 -11.118 1.00 1.44 O ATOM 87 CB SER A 6 -12.561 3.670 -9.176 1.00 31.44 C ATOM 88 OG SER A 6 -11.895 4.364 -8.137 1.00 4.45 O ATOM 0 H SER A 6 -10.503 1.790 -9.591 1.00 10.44 H new ATOM 0 HA SER A 6 -13.047 1.881 -8.086 1.00 2.31 H new ATOM 0 HB2 SER A 6 -12.120 3.936 -10.137 1.00 31.44 H new ATOM 0 HB3 SER A 6 -13.607 3.976 -9.210 1.00 31.44 H new ATOM 0 HG SER A 6 -11.964 5.329 -8.292 1.00 4.45 H new ATOM 94 N ASN A 7 -13.032 0.104 -10.136 1.00 13.10 N ATOM 95 CA ASN A 7 -13.567 -0.706 -11.224 1.00 61.14 C ATOM 96 C ASN A 7 -14.309 -1.924 -10.681 1.00 51.44 C ATOM 97 O ASN A 7 -14.175 -2.275 -9.509 1.00 52.30 O ATOM 98 CB ASN A 7 -12.439 -1.156 -12.155 1.00 62.31 C ATOM 99 CG ASN A 7 -12.009 -0.062 -13.113 1.00 74.13 C ATOM 100 OD1 ASN A 7 -12.791 0.386 -13.952 1.00 75.01 O ATOM 101 ND2 ASN A 7 -10.760 0.373 -12.993 1.00 52.12 N ATOM 0 H ASN A 7 -12.640 -0.434 -9.363 1.00 13.10 H new ATOM 0 HA ASN A 7 -14.272 -0.094 -11.787 1.00 61.14 H new ATOM 0 HB2 ASN A 7 -11.583 -1.470 -11.558 1.00 62.31 H new ATOM 0 HB3 ASN A 7 -12.767 -2.026 -12.724 1.00 62.31 H new ATOM 0 HD21 ASN A 7 -10.414 1.107 -13.611 1.00 52.12 H new ATOM 0 HD22 ASN A 7 -10.147 -0.027 -12.283 1.00 52.12 H new ATOM 108 N VAL A 8 -15.092 -2.565 -11.543 1.00 13.21 N ATOM 109 CA VAL A 8 -15.855 -3.745 -11.151 1.00 51.32 C ATOM 110 C VAL A 8 -15.217 -5.017 -11.697 1.00 52.12 C ATOM 111 O VAL A 8 -14.383 -4.967 -12.600 1.00 72.45 O ATOM 112 CB VAL A 8 -17.311 -3.660 -11.646 1.00 33.12 C ATOM 113 CG1 VAL A 8 -17.980 -2.397 -11.127 1.00 0.20 C ATOM 114 CG2 VAL A 8 -17.362 -3.715 -13.166 1.00 2.45 C ATOM 0 H VAL A 8 -15.215 -2.287 -12.517 1.00 13.21 H new ATOM 0 HA VAL A 8 -15.851 -3.779 -10.062 1.00 51.32 H new ATOM 0 HB VAL A 8 -17.859 -4.518 -11.256 1.00 33.12 H new ATOM 0 HG11 VAL A 8 -19.008 -2.355 -11.488 1.00 0.20 H new ATOM 0 HG12 VAL A 8 -17.978 -2.406 -10.037 1.00 0.20 H new ATOM 0 HG13 VAL A 8 -17.435 -1.523 -11.484 1.00 0.20 H new ATOM 0 HG21 VAL A 8 -18.398 -3.654 -13.498 1.00 2.45 H new ATOM 0 HG22 VAL A 8 -16.799 -2.878 -13.579 1.00 2.45 H new ATOM 0 HG23 VAL A 8 -16.925 -4.652 -13.511 1.00 2.45 H new ATOM 124 N ARG A 9 -15.616 -6.157 -11.142 1.00 12.25 N ATOM 125 CA ARG A 9 -15.083 -7.444 -11.573 1.00 24.24 C ATOM 126 C ARG A 9 -16.176 -8.510 -11.580 1.00 24.01 C ATOM 127 O ARG A 9 -17.196 -8.371 -10.907 1.00 3.23 O ATOM 128 CB ARG A 9 -13.939 -7.878 -10.655 1.00 62.41 C ATOM 129 CG ARG A 9 -12.715 -6.980 -10.741 1.00 3.24 C ATOM 130 CD ARG A 9 -11.867 -7.072 -9.482 1.00 13.33 C ATOM 131 NE ARG A 9 -11.259 -8.390 -9.327 1.00 2.54 N ATOM 132 CZ ARG A 9 -10.699 -8.812 -8.198 1.00 62.12 C ATOM 133 NH1 ARG A 9 -10.670 -8.023 -7.133 1.00 20.33 N ATOM 134 NH2 ARG A 9 -10.166 -10.026 -8.135 1.00 4.44 N ATOM 0 H ARG A 9 -16.306 -6.216 -10.393 1.00 12.25 H new ATOM 0 HA ARG A 9 -14.703 -7.331 -12.588 1.00 24.24 H new ATOM 0 HB2 ARG A 9 -14.296 -7.893 -9.625 1.00 62.41 H new ATOM 0 HB3 ARG A 9 -13.649 -8.898 -10.907 1.00 62.41 H new ATOM 0 HG2 ARG A 9 -12.115 -7.262 -11.606 1.00 3.24 H new ATOM 0 HG3 ARG A 9 -13.030 -5.948 -10.894 1.00 3.24 H new ATOM 0 HD2 ARG A 9 -11.085 -6.314 -9.516 1.00 13.33 H new ATOM 0 HD3 ARG A 9 -12.486 -6.854 -8.612 1.00 13.33 H new ATOM 0 HE ARG A 9 -11.264 -9.021 -10.128 1.00 2.54 H new ATOM 0 HH11 ARG A 9 -11.078 -7.089 -7.179 1.00 20.33 H new ATOM 0 HH12 ARG A 9 -10.240 -8.350 -6.268 1.00 20.33 H new ATOM 0 HH21 ARG A 9 -10.186 -10.635 -8.953 1.00 4.44 H new ATOM 0 HH22 ARG A 9 -9.736 -10.350 -7.269 1.00 4.44 H new ATOM 148 N ALA A 10 -15.953 -9.572 -12.346 1.00 40.24 N ATOM 149 CA ALA A 10 -16.916 -10.662 -12.440 1.00 53.34 C ATOM 150 C ALA A 10 -16.477 -11.857 -11.601 1.00 0.35 C ATOM 151 O ALA A 10 -15.336 -12.309 -11.696 1.00 33.32 O ATOM 152 CB ALA A 10 -17.105 -11.076 -13.892 1.00 51.52 C ATOM 0 H ALA A 10 -15.114 -9.701 -12.911 1.00 40.24 H new ATOM 0 HA ALA A 10 -17.869 -10.306 -12.048 1.00 53.34 H new ATOM 0 HB1 ALA A 10 -17.827 -11.891 -13.947 1.00 51.52 H new ATOM 0 HB2 ALA A 10 -17.472 -10.226 -14.468 1.00 51.52 H new ATOM 0 HB3 ALA A 10 -16.151 -11.408 -14.303 1.00 51.52 H new ATOM 158 N ARG A 11 -17.391 -12.364 -10.778 1.00 44.32 N ATOM 159 CA ARG A 11 -17.097 -13.505 -9.920 1.00 5.54 C ATOM 160 C ARG A 11 -17.894 -14.731 -10.355 1.00 3.44 C ATOM 161 O ARG A 11 -19.093 -14.828 -10.095 1.00 13.42 O ATOM 162 CB ARG A 11 -17.412 -13.169 -8.462 1.00 2.23 C ATOM 163 CG ARG A 11 -16.746 -11.893 -7.972 1.00 44.01 C ATOM 164 CD ARG A 11 -16.708 -11.831 -6.454 1.00 11.33 C ATOM 165 NE ARG A 11 -17.948 -11.298 -5.897 1.00 2.53 N ATOM 166 CZ ARG A 11 -18.275 -10.011 -5.932 1.00 14.33 C ATOM 167 NH1 ARG A 11 -17.458 -9.130 -6.494 1.00 52.23 N ATOM 168 NH2 ARG A 11 -19.422 -9.602 -5.404 1.00 4.21 N ATOM 0 H ARG A 11 -18.340 -12.002 -10.688 1.00 44.32 H new ATOM 0 HA ARG A 11 -16.035 -13.732 -10.011 1.00 5.54 H new ATOM 0 HB2 ARG A 11 -18.491 -13.073 -8.345 1.00 2.23 H new ATOM 0 HB3 ARG A 11 -17.096 -13.999 -7.830 1.00 2.23 H new ATOM 0 HG2 ARG A 11 -15.731 -11.837 -8.365 1.00 44.01 H new ATOM 0 HG3 ARG A 11 -17.285 -11.028 -8.359 1.00 44.01 H new ATOM 0 HD2 ARG A 11 -16.531 -12.830 -6.055 1.00 11.33 H new ATOM 0 HD3 ARG A 11 -15.871 -11.208 -6.137 1.00 11.33 H new ATOM 0 HE ARG A 11 -18.598 -11.949 -5.457 1.00 2.53 H new ATOM 0 HH11 ARG A 11 -16.576 -9.440 -6.901 1.00 52.23 H new ATOM 0 HH12 ARG A 11 -17.712 -8.142 -6.519 1.00 52.23 H new ATOM 0 HH21 ARG A 11 -20.053 -10.276 -4.971 1.00 4.21 H new ATOM 0 HH22 ARG A 11 -19.672 -8.614 -5.431 1.00 4.21 H new ATOM 182 N ILE A 12 -17.218 -15.664 -11.017 1.00 34.32 N ATOM 183 CA ILE A 12 -17.864 -16.884 -11.486 1.00 61.52 C ATOM 184 C ILE A 12 -17.561 -18.058 -10.562 1.00 21.13 C ATOM 185 O ILE A 12 -16.418 -18.261 -10.154 1.00 21.05 O ATOM 186 CB ILE A 12 -17.417 -17.243 -12.916 1.00 21.10 C ATOM 187 CG1 ILE A 12 -17.742 -16.099 -13.878 1.00 4.31 C ATOM 188 CG2 ILE A 12 -18.086 -18.531 -13.373 1.00 24.44 C ATOM 189 CD1 ILE A 12 -16.960 -16.157 -15.171 1.00 55.14 C ATOM 0 H ILE A 12 -16.225 -15.599 -11.240 1.00 34.32 H new ATOM 0 HA ILE A 12 -18.937 -16.692 -11.486 1.00 61.52 H new ATOM 0 HB ILE A 12 -16.338 -17.397 -12.915 1.00 21.10 H new ATOM 0 HG12 ILE A 12 -18.808 -16.118 -14.106 1.00 4.31 H new ATOM 0 HG13 ILE A 12 -17.539 -15.150 -13.382 1.00 4.31 H new ATOM 0 HG21 ILE A 12 -17.760 -18.771 -14.385 1.00 24.44 H new ATOM 0 HG22 ILE A 12 -17.810 -19.343 -12.700 1.00 24.44 H new ATOM 0 HG23 ILE A 12 -19.168 -18.403 -13.361 1.00 24.44 H new ATOM 0 HD11 ILE A 12 -17.241 -15.316 -15.804 1.00 55.14 H new ATOM 0 HD12 ILE A 12 -15.893 -16.107 -14.954 1.00 55.14 H new ATOM 0 HD13 ILE A 12 -17.181 -17.091 -15.688 1.00 55.14 H new ATOM 201 N TYR A 13 -18.593 -18.829 -10.235 1.00 42.44 N ATOM 202 CA TYR A 13 -18.438 -19.982 -9.357 1.00 32.11 C ATOM 203 C TYR A 13 -19.226 -21.177 -9.885 1.00 23.21 C ATOM 204 O TYR A 13 -20.392 -21.052 -10.259 1.00 3.35 O ATOM 205 CB TYR A 13 -18.900 -19.637 -7.941 1.00 31.22 C ATOM 206 CG TYR A 13 -18.971 -20.834 -7.019 1.00 1.01 C ATOM 207 CD1 TYR A 13 -17.874 -21.668 -6.847 1.00 31.43 C ATOM 208 CD2 TYR A 13 -20.135 -21.128 -6.319 1.00 43.03 C ATOM 209 CE1 TYR A 13 -17.935 -22.763 -6.006 1.00 32.04 C ATOM 210 CE2 TYR A 13 -20.204 -22.219 -5.475 1.00 20.43 C ATOM 211 CZ TYR A 13 -19.102 -23.034 -5.322 1.00 4.12 C ATOM 212 OH TYR A 13 -19.166 -24.123 -4.483 1.00 23.25 O ATOM 0 H TYR A 13 -19.546 -18.676 -10.565 1.00 42.44 H new ATOM 0 HA TYR A 13 -17.381 -20.249 -9.332 1.00 32.11 H new ATOM 0 HB2 TYR A 13 -18.219 -18.900 -7.515 1.00 31.22 H new ATOM 0 HB3 TYR A 13 -19.883 -19.170 -7.992 1.00 31.22 H new ATOM 0 HD1 TYR A 13 -16.958 -21.457 -7.379 1.00 31.43 H new ATOM 0 HD2 TYR A 13 -21.000 -20.493 -6.437 1.00 43.03 H new ATOM 0 HE1 TYR A 13 -17.074 -23.403 -5.885 1.00 32.04 H new ATOM 0 HE2 TYR A 13 -21.116 -22.433 -4.938 1.00 20.43 H new ATOM 0 HH TYR A 13 -20.057 -24.172 -4.077 1.00 23.25 H new ATOM 222 N LYS A 14 -18.580 -22.338 -9.911 1.00 31.32 N ATOM 223 CA LYS A 14 -19.218 -23.559 -10.390 1.00 64.00 C ATOM 224 C LYS A 14 -20.021 -24.225 -9.277 1.00 62.40 C ATOM 225 O LYS A 14 -19.725 -24.077 -8.091 1.00 1.03 O ATOM 226 CB LYS A 14 -18.165 -24.531 -10.927 1.00 32.40 C ATOM 227 CG LYS A 14 -17.361 -25.219 -9.838 1.00 22.30 C ATOM 228 CD LYS A 14 -16.283 -26.117 -10.424 1.00 34.31 C ATOM 229 CE LYS A 14 -16.884 -27.348 -11.087 1.00 31.45 C ATOM 230 NZ LYS A 14 -17.191 -27.110 -12.524 1.00 61.12 N ATOM 0 H LYS A 14 -17.614 -22.459 -9.606 1.00 31.32 H new ATOM 0 HA LYS A 14 -19.901 -23.292 -11.196 1.00 64.00 H new ATOM 0 HB2 LYS A 14 -18.659 -25.288 -11.536 1.00 32.40 H new ATOM 0 HB3 LYS A 14 -17.483 -23.989 -11.583 1.00 32.40 H new ATOM 0 HG2 LYS A 14 -16.901 -24.469 -9.195 1.00 22.30 H new ATOM 0 HG3 LYS A 14 -18.028 -25.811 -9.211 1.00 22.30 H new ATOM 0 HD2 LYS A 14 -15.699 -25.557 -11.155 1.00 34.31 H new ATOM 0 HD3 LYS A 14 -15.596 -26.425 -9.636 1.00 34.31 H new ATOM 0 HE2 LYS A 14 -16.190 -28.184 -10.998 1.00 31.45 H new ATOM 0 HE3 LYS A 14 -17.796 -27.634 -10.563 1.00 31.45 H new ATOM 0 HZ1 LYS A 14 -18.195 -27.312 -12.703 1.00 61.12 H new ATOM 0 HZ2 LYS A 14 -16.990 -26.118 -12.762 1.00 61.12 H new ATOM 0 HZ3 LYS A 14 -16.602 -27.733 -13.113 1.00 61.12 H new ATOM 244 N PRO A 15 -21.060 -24.979 -9.666 1.00 3.12 N ATOM 245 CA PRO A 15 -21.924 -25.685 -8.717 1.00 33.33 C ATOM 246 C PRO A 15 -21.210 -26.848 -8.036 1.00 14.01 C ATOM 247 O PRO A 15 -20.009 -27.043 -8.218 1.00 2.15 O ATOM 248 CB PRO A 15 -23.068 -26.201 -9.594 1.00 50.11 C ATOM 249 CG PRO A 15 -22.479 -26.309 -10.958 1.00 61.44 C ATOM 250 CD PRO A 15 -21.469 -25.201 -11.063 1.00 54.31 C ATOM 0 HA PRO A 15 -22.250 -25.036 -7.904 1.00 33.33 H new ATOM 0 HB2 PRO A 15 -23.432 -27.166 -9.242 1.00 50.11 H new ATOM 0 HB3 PRO A 15 -23.916 -25.516 -9.582 1.00 50.11 H new ATOM 0 HG2 PRO A 15 -22.008 -27.281 -11.104 1.00 61.44 H new ATOM 0 HG3 PRO A 15 -23.248 -26.210 -11.724 1.00 61.44 H new ATOM 0 HD2 PRO A 15 -20.623 -25.486 -11.689 1.00 54.31 H new ATOM 0 HD3 PRO A 15 -21.902 -24.303 -11.503 1.00 54.31 H new ATOM 258 N ALA A 16 -21.958 -27.618 -7.252 1.00 5.24 N ATOM 259 CA ALA A 16 -21.396 -28.763 -6.546 1.00 31.10 C ATOM 260 C ALA A 16 -20.720 -29.727 -7.514 1.00 63.33 C ATOM 261 O ALA A 16 -21.287 -30.088 -8.545 1.00 33.14 O ATOM 262 CB ALA A 16 -22.480 -29.479 -5.755 1.00 31.13 C ATOM 0 H ALA A 16 -22.954 -27.470 -7.090 1.00 5.24 H new ATOM 0 HA ALA A 16 -20.639 -28.396 -5.853 1.00 31.10 H new ATOM 0 HB1 ALA A 16 -22.046 -30.332 -5.233 1.00 31.13 H new ATOM 0 HB2 ALA A 16 -22.915 -28.792 -5.029 1.00 31.13 H new ATOM 0 HB3 ALA A 16 -23.257 -29.827 -6.435 1.00 31.13 H new ATOM 268 N LYS A 17 -19.503 -30.142 -7.177 1.00 14.42 N ATOM 269 CA LYS A 17 -18.749 -31.065 -8.015 1.00 50.33 C ATOM 270 C LYS A 17 -19.246 -32.495 -7.833 1.00 22.50 C ATOM 271 O LYS A 17 -18.552 -33.335 -7.259 1.00 53.03 O ATOM 272 CB LYS A 17 -17.258 -30.986 -7.683 1.00 64.45 C ATOM 273 CG LYS A 17 -16.385 -31.833 -8.594 1.00 31.43 C ATOM 274 CD LYS A 17 -16.144 -31.150 -9.929 1.00 53.12 C ATOM 275 CE LYS A 17 -14.979 -30.174 -9.853 1.00 54.11 C ATOM 276 NZ LYS A 17 -14.395 -29.902 -11.196 1.00 32.11 N ATOM 0 H LYS A 17 -19.018 -29.853 -6.328 1.00 14.42 H new ATOM 0 HA LYS A 17 -18.899 -30.777 -9.055 1.00 50.33 H new ATOM 0 HB2 LYS A 17 -16.935 -29.947 -7.747 1.00 64.45 H new ATOM 0 HB3 LYS A 17 -17.107 -31.303 -6.651 1.00 64.45 H new ATOM 0 HG2 LYS A 17 -15.430 -32.027 -8.106 1.00 31.43 H new ATOM 0 HG3 LYS A 17 -16.861 -32.800 -8.760 1.00 31.43 H new ATOM 0 HD2 LYS A 17 -15.941 -31.901 -10.692 1.00 53.12 H new ATOM 0 HD3 LYS A 17 -17.045 -30.619 -10.236 1.00 53.12 H new ATOM 0 HE2 LYS A 17 -15.317 -29.238 -9.408 1.00 54.11 H new ATOM 0 HE3 LYS A 17 -14.208 -30.579 -9.197 1.00 54.11 H new ATOM 0 HZ1 LYS A 17 -13.884 -28.996 -11.176 1.00 32.11 H new ATOM 0 HZ2 LYS A 17 -13.736 -30.665 -11.449 1.00 32.11 H new ATOM 0 HZ3 LYS A 17 -15.157 -29.854 -11.903 1.00 32.11 H new ATOM 290 N SER A 18 -20.450 -32.766 -8.326 1.00 21.24 N ATOM 291 CA SER A 18 -21.041 -34.096 -8.215 1.00 5.33 C ATOM 292 C SER A 18 -22.188 -34.264 -9.205 1.00 73.23 C ATOM 293 O SER A 18 -22.760 -33.285 -9.685 1.00 41.44 O ATOM 294 CB SER A 18 -21.542 -34.336 -6.789 1.00 44.03 C ATOM 295 OG SER A 18 -21.652 -35.722 -6.516 1.00 25.45 O ATOM 0 H SER A 18 -21.036 -32.083 -8.806 1.00 21.24 H new ATOM 0 HA SER A 18 -20.271 -34.831 -8.450 1.00 5.33 H new ATOM 0 HB2 SER A 18 -20.858 -33.875 -6.077 1.00 44.03 H new ATOM 0 HB3 SER A 18 -22.512 -33.857 -6.655 1.00 44.03 H new ATOM 0 HG SER A 18 -21.972 -35.850 -5.599 1.00 25.45 H new ATOM 301 N THR A 19 -22.522 -35.515 -9.507 1.00 61.54 N ATOM 302 CA THR A 19 -23.601 -35.814 -10.441 1.00 61.33 C ATOM 303 C THR A 19 -24.800 -36.418 -9.720 1.00 55.45 C ATOM 304 O THR A 19 -24.645 -37.247 -8.825 1.00 63.41 O ATOM 305 CB THR A 19 -23.136 -36.786 -11.543 1.00 1.44 C ATOM 306 OG1 THR A 19 -21.917 -36.315 -12.129 1.00 53.43 O ATOM 307 CG2 THR A 19 -24.201 -36.931 -12.621 1.00 4.04 C ATOM 0 H THR A 19 -22.061 -36.338 -9.118 1.00 61.54 H new ATOM 0 HA THR A 19 -23.894 -34.869 -10.899 1.00 61.33 H new ATOM 0 HB THR A 19 -22.966 -37.762 -11.089 1.00 1.44 H new ATOM 0 HG1 THR A 19 -21.627 -36.939 -12.827 1.00 53.43 H new ATOM 0 HG21 THR A 19 -23.851 -37.622 -13.388 1.00 4.04 H new ATOM 0 HG22 THR A 19 -25.118 -37.317 -12.177 1.00 4.04 H new ATOM 0 HG23 THR A 19 -24.398 -35.958 -13.071 1.00 4.04 H new ATOM 315 N MET A 20 -25.997 -35.997 -10.117 1.00 30.31 N ATOM 316 CA MET A 20 -27.223 -36.498 -9.509 1.00 75.31 C ATOM 317 C MET A 20 -28.205 -36.973 -10.576 1.00 42.44 C ATOM 318 O MET A 20 -28.631 -38.127 -10.570 1.00 74.13 O ATOM 319 CB MET A 20 -27.873 -35.413 -8.649 1.00 42.12 C ATOM 320 CG MET A 20 -27.253 -35.281 -7.267 1.00 44.52 C ATOM 321 SD MET A 20 -27.993 -36.401 -6.065 1.00 22.35 S ATOM 322 CE MET A 20 -28.340 -35.272 -4.718 1.00 44.32 C ATOM 0 H MET A 20 -26.143 -35.310 -10.857 1.00 30.31 H new ATOM 0 HA MET A 20 -26.963 -37.346 -8.875 1.00 75.31 H new ATOM 0 HB2 MET A 20 -27.796 -34.456 -9.166 1.00 42.12 H new ATOM 0 HB3 MET A 20 -28.935 -35.633 -8.542 1.00 42.12 H new ATOM 0 HG2 MET A 20 -26.183 -35.480 -7.332 1.00 44.52 H new ATOM 0 HG3 MET A 20 -27.366 -34.254 -6.919 1.00 44.52 H new ATOM 0 HE1 MET A 20 -28.802 -35.818 -3.895 1.00 44.32 H new ATOM 0 HE2 MET A 20 -27.410 -34.818 -4.375 1.00 44.32 H new ATOM 0 HE3 MET A 20 -29.019 -34.492 -5.063 1.00 44.32 H new ATOM 332 N GLN A 21 -28.559 -36.074 -11.490 1.00 43.32 N ATOM 333 CA GLN A 21 -29.490 -36.402 -12.562 1.00 2.20 C ATOM 334 C GLN A 21 -29.243 -35.525 -13.785 1.00 51.14 C ATOM 335 O GLN A 21 -28.992 -34.326 -13.661 1.00 3.41 O ATOM 336 CB GLN A 21 -30.933 -36.234 -12.082 1.00 50.52 C ATOM 337 CG GLN A 21 -31.476 -37.450 -11.350 1.00 40.53 C ATOM 338 CD GLN A 21 -32.990 -37.512 -11.367 1.00 32.35 C ATOM 339 OE1 GLN A 21 -33.591 -38.041 -12.302 1.00 15.41 O ATOM 340 NE2 GLN A 21 -33.617 -36.973 -10.327 1.00 3.20 N ATOM 0 H GLN A 21 -28.215 -35.114 -11.509 1.00 43.32 H new ATOM 0 HA GLN A 21 -29.327 -37.442 -12.845 1.00 2.20 H new ATOM 0 HB2 GLN A 21 -30.989 -35.368 -11.422 1.00 50.52 H new ATOM 0 HB3 GLN A 21 -31.570 -36.022 -12.941 1.00 50.52 H new ATOM 0 HG2 GLN A 21 -31.074 -38.354 -11.807 1.00 40.53 H new ATOM 0 HG3 GLN A 21 -31.128 -37.433 -10.317 1.00 40.53 H new ATOM 0 HE21 GLN A 21 -33.079 -36.545 -9.573 1.00 3.20 H new ATOM 0 HE22 GLN A 21 -34.636 -36.988 -10.282 1.00 3.20 H new ATOM 349 N SER A 22 -29.317 -36.129 -14.967 1.00 23.51 N ATOM 350 CA SER A 22 -29.097 -35.405 -16.212 1.00 12.11 C ATOM 351 C SER A 22 -30.403 -34.817 -16.736 1.00 53.44 C ATOM 352 O SER A 22 -30.619 -33.607 -16.682 1.00 45.32 O ATOM 353 CB SER A 22 -28.483 -36.330 -17.264 1.00 0.31 C ATOM 354 OG SER A 22 -28.534 -35.742 -18.553 1.00 72.32 O ATOM 0 H SER A 22 -29.528 -37.120 -15.088 1.00 23.51 H new ATOM 0 HA SER A 22 -28.405 -34.587 -16.010 1.00 12.11 H new ATOM 0 HB2 SER A 22 -27.448 -36.548 -17.001 1.00 0.31 H new ATOM 0 HB3 SER A 22 -29.017 -37.280 -17.273 1.00 0.31 H new ATOM 0 HG SER A 22 -28.134 -36.352 -19.207 1.00 72.32 H new ATOM 360 N GLY A 23 -31.274 -35.684 -17.245 1.00 0.45 N ATOM 361 CA GLY A 23 -32.549 -35.233 -17.772 1.00 30.30 C ATOM 362 C GLY A 23 -32.392 -34.141 -18.810 1.00 52.52 C ATOM 363 O GLY A 23 -31.988 -34.404 -19.943 1.00 2.50 O ATOM 0 H GLY A 23 -31.119 -36.691 -17.302 1.00 0.45 H new ATOM 0 HA2 GLY A 23 -33.075 -36.078 -18.215 1.00 30.30 H new ATOM 0 HA3 GLY A 23 -33.168 -34.866 -16.953 1.00 30.30 H new ATOM 367 N HIS A 24 -32.716 -32.910 -18.426 1.00 13.53 N ATOM 368 CA HIS A 24 -32.611 -31.773 -19.334 1.00 13.44 C ATOM 369 C HIS A 24 -31.552 -30.787 -18.849 1.00 40.13 C ATOM 370 O HIS A 24 -31.085 -30.872 -17.713 1.00 70.35 O ATOM 371 CB HIS A 24 -33.962 -31.067 -19.459 1.00 50.10 C ATOM 372 CG HIS A 24 -35.077 -31.978 -19.873 1.00 11.13 C ATOM 373 ND1 HIS A 24 -35.338 -32.299 -21.187 1.00 61.04 N ATOM 374 CD2 HIS A 24 -36.000 -32.637 -19.135 1.00 61.43 C ATOM 375 CE1 HIS A 24 -36.375 -33.116 -21.241 1.00 52.01 C ATOM 376 NE2 HIS A 24 -36.795 -33.338 -20.009 1.00 44.22 N ATOM 0 H HIS A 24 -33.053 -32.675 -17.493 1.00 13.53 H new ATOM 0 HA HIS A 24 -32.313 -32.148 -20.313 1.00 13.44 H new ATOM 0 HB2 HIS A 24 -34.214 -30.609 -18.502 1.00 50.10 H new ATOM 0 HB3 HIS A 24 -33.875 -30.259 -20.186 1.00 50.10 H new ATOM 0 HD2 HIS A 24 -36.094 -32.616 -18.059 1.00 61.43 H new ATOM 0 HE1 HIS A 24 -36.806 -33.532 -22.140 1.00 52.01 H new ATOM 0 HE2 HIS A 24 -37.582 -33.933 -19.749 1.00 44.22 H new ATOM 384 N SER A 25 -31.178 -29.853 -19.717 1.00 72.43 N ATOM 385 CA SER A 25 -30.171 -28.855 -19.380 1.00 53.02 C ATOM 386 C SER A 25 -30.789 -27.461 -19.313 1.00 22.52 C ATOM 387 O SER A 25 -30.223 -26.494 -19.822 1.00 52.51 O ATOM 388 CB SER A 25 -29.038 -28.874 -20.408 1.00 61.12 C ATOM 389 OG SER A 25 -27.851 -28.317 -19.870 1.00 22.51 O ATOM 0 H SER A 25 -31.558 -29.767 -20.660 1.00 72.43 H new ATOM 0 HA SER A 25 -29.765 -29.102 -18.399 1.00 53.02 H new ATOM 0 HB2 SER A 25 -28.850 -29.899 -20.728 1.00 61.12 H new ATOM 0 HB3 SER A 25 -29.337 -28.314 -21.294 1.00 61.12 H new ATOM 0 HG SER A 25 -27.142 -28.342 -20.546 1.00 22.51 H new ATOM 395 N LYS A 26 -31.953 -27.367 -18.681 1.00 12.12 N ATOM 396 CA LYS A 26 -32.650 -26.093 -18.544 1.00 72.13 C ATOM 397 C LYS A 26 -32.709 -25.659 -17.084 1.00 60.20 C ATOM 398 O LYS A 26 -33.778 -25.342 -16.562 1.00 13.13 O ATOM 399 CB LYS A 26 -34.067 -26.200 -19.113 1.00 72.32 C ATOM 400 CG LYS A 26 -34.732 -24.854 -19.346 1.00 74.25 C ATOM 401 CD LYS A 26 -34.182 -24.168 -20.585 1.00 45.30 C ATOM 402 CE LYS A 26 -34.299 -22.655 -20.482 1.00 21.51 C ATOM 403 NZ LYS A 26 -35.719 -22.211 -20.435 1.00 72.12 N ATOM 0 H LYS A 26 -32.435 -28.159 -18.255 1.00 12.12 H new ATOM 0 HA LYS A 26 -32.095 -25.342 -19.106 1.00 72.13 H new ATOM 0 HB2 LYS A 26 -34.031 -26.746 -20.056 1.00 72.32 H new ATOM 0 HB3 LYS A 26 -34.681 -26.786 -18.429 1.00 72.32 H new ATOM 0 HG2 LYS A 26 -35.808 -24.992 -19.453 1.00 74.25 H new ATOM 0 HG3 LYS A 26 -34.577 -24.215 -18.476 1.00 74.25 H new ATOM 0 HD2 LYS A 26 -33.137 -24.445 -20.722 1.00 45.30 H new ATOM 0 HD3 LYS A 26 -34.722 -24.517 -21.465 1.00 45.30 H new ATOM 0 HE2 LYS A 26 -33.781 -22.311 -19.587 1.00 21.51 H new ATOM 0 HE3 LYS A 26 -33.802 -22.193 -21.335 1.00 21.51 H new ATOM 0 HZ1 LYS A 26 -35.757 -21.172 -20.399 1.00 72.12 H new ATOM 0 HZ2 LYS A 26 -36.216 -22.547 -21.285 1.00 72.12 H new ATOM 0 HZ3 LYS A 26 -36.178 -22.604 -19.588 1.00 72.12 H new ATOM 417 N LEU A 27 -31.553 -25.645 -16.428 1.00 60.35 N ATOM 418 CA LEU A 27 -31.473 -25.247 -15.028 1.00 25.22 C ATOM 419 C LEU A 27 -30.161 -24.521 -14.742 1.00 11.25 C ATOM 420 O LEU A 27 -29.109 -24.888 -15.266 1.00 3.35 O ATOM 421 CB LEU A 27 -31.597 -26.473 -14.121 1.00 13.43 C ATOM 422 CG LEU A 27 -30.303 -27.238 -13.844 1.00 44.22 C ATOM 423 CD1 LEU A 27 -29.608 -26.684 -12.610 1.00 14.04 C ATOM 424 CD2 LEU A 27 -30.587 -28.723 -13.677 1.00 24.44 C ATOM 0 H LEU A 27 -30.659 -25.905 -16.844 1.00 60.35 H new ATOM 0 HA LEU A 27 -32.298 -24.565 -14.822 1.00 25.22 H new ATOM 0 HB2 LEU A 27 -32.017 -26.153 -13.168 1.00 13.43 H new ATOM 0 HB3 LEU A 27 -32.313 -27.161 -14.570 1.00 13.43 H new ATOM 0 HG LEU A 27 -29.638 -27.109 -14.698 1.00 44.22 H new ATOM 0 HD11 LEU A 27 -28.689 -27.241 -12.429 1.00 14.04 H new ATOM 0 HD12 LEU A 27 -29.369 -25.632 -12.768 1.00 14.04 H new ATOM 0 HD13 LEU A 27 -30.267 -26.781 -11.747 1.00 14.04 H new ATOM 0 HD21 LEU A 27 -29.654 -29.252 -13.480 1.00 24.44 H new ATOM 0 HD22 LEU A 27 -31.271 -28.871 -12.841 1.00 24.44 H new ATOM 0 HD23 LEU A 27 -31.039 -29.112 -14.589 1.00 24.44 H new ATOM 436 N LYS A 28 -30.232 -23.491 -13.907 1.00 1.34 N ATOM 437 CA LYS A 28 -29.051 -22.714 -13.547 1.00 73.32 C ATOM 438 C LYS A 28 -28.061 -23.564 -12.757 1.00 1.24 C ATOM 439 O LYS A 28 -28.398 -24.110 -11.707 1.00 42.33 O ATOM 440 CB LYS A 28 -29.453 -21.485 -12.728 1.00 74.31 C ATOM 441 CG LYS A 28 -29.753 -20.261 -13.576 1.00 4.25 C ATOM 442 CD LYS A 28 -31.185 -20.270 -14.082 1.00 75.25 C ATOM 443 CE LYS A 28 -32.138 -19.644 -13.075 1.00 63.22 C ATOM 444 NZ LYS A 28 -32.144 -18.158 -13.168 1.00 51.13 N ATOM 0 H LYS A 28 -31.095 -23.174 -13.466 1.00 1.34 H new ATOM 0 HA LYS A 28 -28.568 -22.386 -14.467 1.00 73.32 H new ATOM 0 HB2 LYS A 28 -30.332 -21.728 -12.132 1.00 74.31 H new ATOM 0 HB3 LYS A 28 -28.651 -21.245 -12.030 1.00 74.31 H new ATOM 0 HG2 LYS A 28 -29.579 -19.359 -12.989 1.00 4.25 H new ATOM 0 HG3 LYS A 28 -29.067 -20.227 -14.423 1.00 4.25 H new ATOM 0 HD2 LYS A 28 -31.242 -19.726 -15.025 1.00 75.25 H new ATOM 0 HD3 LYS A 28 -31.493 -21.295 -14.287 1.00 75.25 H new ATOM 0 HE2 LYS A 28 -33.146 -20.023 -13.245 1.00 63.22 H new ATOM 0 HE3 LYS A 28 -31.850 -19.944 -12.067 1.00 63.22 H new ATOM 0 HZ1 LYS A 28 -32.805 -17.769 -12.466 1.00 51.13 H new ATOM 0 HZ2 LYS A 28 -31.188 -17.795 -12.981 1.00 51.13 H new ATOM 0 HZ3 LYS A 28 -32.443 -17.871 -14.122 1.00 51.13 H new ATOM 458 N ALA A 29 -26.839 -23.669 -13.268 1.00 43.41 N ATOM 459 CA ALA A 29 -25.800 -24.448 -12.608 1.00 64.33 C ATOM 460 C ALA A 29 -24.659 -23.553 -12.133 1.00 72.13 C ATOM 461 O ALA A 29 -24.154 -23.712 -11.023 1.00 1.02 O ATOM 462 CB ALA A 29 -25.272 -25.525 -13.544 1.00 72.42 C ATOM 0 H ALA A 29 -26.545 -23.224 -14.137 1.00 43.41 H new ATOM 0 HA ALA A 29 -26.241 -24.926 -11.733 1.00 64.33 H new ATOM 0 HB1 ALA A 29 -24.496 -26.099 -13.037 1.00 72.42 H new ATOM 0 HB2 ALA A 29 -26.087 -26.190 -13.830 1.00 72.42 H new ATOM 0 HB3 ALA A 29 -24.854 -25.059 -14.436 1.00 72.42 H new ATOM 468 N TRP A 30 -24.259 -22.614 -12.982 1.00 62.13 N ATOM 469 CA TRP A 30 -23.177 -21.695 -12.650 1.00 4.53 C ATOM 470 C TRP A 30 -23.714 -20.456 -11.940 1.00 61.12 C ATOM 471 O TRP A 30 -24.891 -20.117 -12.066 1.00 44.31 O ATOM 472 CB TRP A 30 -22.421 -21.284 -13.914 1.00 52.45 C ATOM 473 CG TRP A 30 -21.458 -22.326 -14.396 1.00 34.32 C ATOM 474 CD1 TRP A 30 -21.745 -23.410 -15.175 1.00 33.43 C ATOM 475 CD2 TRP A 30 -20.053 -22.384 -14.126 1.00 40.22 C ATOM 476 NE1 TRP A 30 -20.603 -24.139 -15.407 1.00 2.21 N ATOM 477 CE2 TRP A 30 -19.551 -23.529 -14.775 1.00 54.15 C ATOM 478 CE3 TRP A 30 -19.169 -21.579 -13.403 1.00 52.34 C ATOM 479 CZ2 TRP A 30 -18.207 -23.888 -14.719 1.00 43.35 C ATOM 480 CZ3 TRP A 30 -17.836 -21.936 -13.349 1.00 2.52 C ATOM 481 CH2 TRP A 30 -17.364 -23.081 -14.004 1.00 13.31 C ATOM 0 H TRP A 30 -24.667 -22.469 -13.905 1.00 62.13 H new ATOM 0 HA TRP A 30 -22.492 -22.210 -11.977 1.00 4.53 H new ATOM 0 HB2 TRP A 30 -23.140 -21.070 -14.705 1.00 52.45 H new ATOM 0 HB3 TRP A 30 -21.877 -20.360 -13.719 1.00 52.45 H new ATOM 0 HD1 TRP A 30 -22.726 -23.658 -15.553 1.00 33.43 H new ATOM 0 HE1 TRP A 30 -20.548 -24.995 -15.960 1.00 2.21 H new ATOM 0 HE3 TRP A 30 -19.522 -20.693 -12.895 1.00 52.34 H new ATOM 0 HZ2 TRP A 30 -17.843 -24.772 -15.222 1.00 43.35 H new ATOM 0 HZ3 TRP A 30 -17.145 -21.321 -12.792 1.00 2.52 H new ATOM 0 HH2 TRP A 30 -16.315 -23.332 -13.944 1.00 13.31 H new ATOM 492 N LYS A 31 -22.845 -19.785 -11.192 1.00 41.13 N ATOM 493 CA LYS A 31 -23.231 -18.583 -10.462 1.00 11.30 C ATOM 494 C LYS A 31 -22.307 -17.418 -10.803 1.00 73.41 C ATOM 495 O LYS A 31 -21.091 -17.504 -10.625 1.00 34.20 O ATOM 496 CB LYS A 31 -23.203 -18.845 -8.955 1.00 70.21 C ATOM 497 CG LYS A 31 -24.036 -20.043 -8.531 1.00 2.12 C ATOM 498 CD LYS A 31 -24.468 -19.936 -7.077 1.00 45.54 C ATOM 499 CE LYS A 31 -24.880 -21.288 -6.517 1.00 53.20 C ATOM 500 NZ LYS A 31 -26.160 -21.766 -7.111 1.00 22.54 N ATOM 0 H LYS A 31 -21.868 -20.053 -11.075 1.00 41.13 H new ATOM 0 HA LYS A 31 -24.246 -18.318 -10.760 1.00 11.30 H new ATOM 0 HB2 LYS A 31 -22.171 -19.001 -8.641 1.00 70.21 H new ATOM 0 HB3 LYS A 31 -23.564 -17.959 -8.434 1.00 70.21 H new ATOM 0 HG2 LYS A 31 -24.917 -20.119 -9.169 1.00 2.12 H new ATOM 0 HG3 LYS A 31 -23.460 -20.957 -8.674 1.00 2.12 H new ATOM 0 HD2 LYS A 31 -23.650 -19.529 -6.482 1.00 45.54 H new ATOM 0 HD3 LYS A 31 -25.301 -19.238 -6.994 1.00 45.54 H new ATOM 0 HE2 LYS A 31 -24.094 -22.017 -6.713 1.00 53.20 H new ATOM 0 HE3 LYS A 31 -24.986 -21.216 -5.435 1.00 53.20 H new ATOM 0 HZ1 LYS A 31 -26.408 -22.691 -6.704 1.00 22.54 H new ATOM 0 HZ2 LYS A 31 -26.916 -21.083 -6.903 1.00 22.54 H new ATOM 0 HZ3 LYS A 31 -26.051 -21.859 -8.141 1.00 22.54 H new ATOM 514 N LEU A 32 -22.890 -16.330 -11.293 1.00 33.12 N ATOM 515 CA LEU A 32 -22.119 -15.147 -11.658 1.00 20.05 C ATOM 516 C LEU A 32 -22.515 -13.951 -10.796 1.00 61.34 C ATOM 517 O LEU A 32 -23.699 -13.660 -10.629 1.00 64.42 O ATOM 518 CB LEU A 32 -22.326 -14.814 -13.137 1.00 31.22 C ATOM 519 CG LEU A 32 -21.467 -13.680 -13.697 1.00 34.13 C ATOM 520 CD1 LEU A 32 -22.054 -12.329 -13.317 1.00 32.14 C ATOM 521 CD2 LEU A 32 -20.034 -13.800 -13.198 1.00 74.34 C ATOM 0 H LEU A 32 -23.895 -16.242 -11.447 1.00 33.12 H new ATOM 0 HA LEU A 32 -21.065 -15.364 -11.485 1.00 20.05 H new ATOM 0 HB2 LEU A 32 -22.131 -15.713 -13.722 1.00 31.22 H new ATOM 0 HB3 LEU A 32 -23.374 -14.557 -13.287 1.00 31.22 H new ATOM 0 HG LEU A 32 -21.460 -13.758 -14.784 1.00 34.13 H new ATOM 0 HD11 LEU A 32 -21.430 -11.534 -13.724 1.00 32.14 H new ATOM 0 HD12 LEU A 32 -23.062 -12.243 -13.723 1.00 32.14 H new ATOM 0 HD13 LEU A 32 -22.092 -12.241 -12.231 1.00 32.14 H new ATOM 0 HD21 LEU A 32 -19.437 -12.985 -13.607 1.00 74.34 H new ATOM 0 HD22 LEU A 32 -20.022 -13.748 -12.109 1.00 74.34 H new ATOM 0 HD23 LEU A 32 -19.615 -14.753 -13.520 1.00 74.34 H new ATOM 533 N GLU A 33 -21.515 -13.263 -10.255 1.00 14.32 N ATOM 534 CA GLU A 33 -21.760 -12.098 -9.411 1.00 51.21 C ATOM 535 C GLU A 33 -20.743 -10.997 -9.696 1.00 44.15 C ATOM 536 O GLU A 33 -19.550 -11.156 -9.435 1.00 63.11 O ATOM 537 CB GLU A 33 -21.705 -12.490 -7.934 1.00 25.21 C ATOM 538 CG GLU A 33 -22.292 -11.442 -7.003 1.00 63.24 C ATOM 539 CD GLU A 33 -22.302 -11.888 -5.554 1.00 43.42 C ATOM 540 OE1 GLU A 33 -22.512 -13.094 -5.306 1.00 41.32 O ATOM 541 OE2 GLU A 33 -22.099 -11.031 -4.668 1.00 74.32 O ATOM 0 H GLU A 33 -20.529 -13.491 -10.385 1.00 14.32 H new ATOM 0 HA GLU A 33 -22.755 -11.717 -9.641 1.00 51.21 H new ATOM 0 HB2 GLU A 33 -22.242 -13.428 -7.796 1.00 25.21 H new ATOM 0 HB3 GLU A 33 -20.668 -12.672 -7.654 1.00 25.21 H new ATOM 0 HG2 GLU A 33 -21.717 -10.520 -7.091 1.00 63.24 H new ATOM 0 HG3 GLU A 33 -23.311 -11.213 -7.316 1.00 63.24 H new ATOM 548 N PHE A 34 -21.223 -9.881 -10.234 1.00 1.35 N ATOM 549 CA PHE A 34 -20.355 -8.753 -10.555 1.00 15.02 C ATOM 550 C PHE A 34 -20.328 -7.744 -9.410 1.00 74.44 C ATOM 551 O PHE A 34 -21.311 -7.582 -8.688 1.00 72.35 O ATOM 552 CB PHE A 34 -20.828 -8.070 -11.841 1.00 4.20 C ATOM 553 CG PHE A 34 -22.229 -7.536 -11.755 1.00 54.23 C ATOM 554 CD1 PHE A 34 -22.470 -6.259 -11.275 1.00 55.21 C ATOM 555 CD2 PHE A 34 -23.306 -8.310 -12.156 1.00 72.31 C ATOM 556 CE1 PHE A 34 -23.758 -5.765 -11.195 1.00 75.42 C ATOM 557 CE2 PHE A 34 -24.597 -7.823 -12.080 1.00 4.44 C ATOM 558 CZ PHE A 34 -24.823 -6.548 -11.598 1.00 51.13 C ATOM 0 H PHE A 34 -22.207 -9.733 -10.457 1.00 1.35 H new ATOM 0 HA PHE A 34 -19.345 -9.134 -10.703 1.00 15.02 H new ATOM 0 HB2 PHE A 34 -20.149 -7.251 -12.079 1.00 4.20 H new ATOM 0 HB3 PHE A 34 -20.769 -8.782 -12.664 1.00 4.20 H new ATOM 0 HD1 PHE A 34 -21.641 -5.642 -10.960 1.00 55.21 H new ATOM 0 HD2 PHE A 34 -23.134 -9.307 -12.533 1.00 72.31 H new ATOM 0 HE1 PHE A 34 -23.932 -4.768 -10.818 1.00 75.42 H new ATOM 0 HE2 PHE A 34 -25.427 -8.437 -12.396 1.00 4.44 H new ATOM 0 HZ PHE A 34 -25.830 -6.164 -11.536 1.00 51.13 H new ATOM 568 N GLU A 35 -19.194 -7.069 -9.252 1.00 20.54 N ATOM 569 CA GLU A 35 -19.037 -6.077 -8.194 1.00 35.21 C ATOM 570 C GLU A 35 -20.092 -4.981 -8.316 1.00 24.52 C ATOM 571 O GLU A 35 -20.381 -4.480 -9.403 1.00 63.31 O ATOM 572 CB GLU A 35 -17.637 -5.462 -8.245 1.00 11.41 C ATOM 573 CG GLU A 35 -17.388 -4.427 -7.161 1.00 54.10 C ATOM 574 CD GLU A 35 -16.837 -5.038 -5.887 1.00 42.34 C ATOM 575 OE1 GLU A 35 -16.929 -6.273 -5.734 1.00 22.43 O ATOM 576 OE2 GLU A 35 -16.313 -4.279 -5.044 1.00 51.45 O ATOM 0 H GLU A 35 -18.371 -7.191 -9.842 1.00 20.54 H new ATOM 0 HA GLU A 35 -19.170 -6.580 -7.236 1.00 35.21 H new ATOM 0 HB2 GLU A 35 -16.897 -6.257 -8.154 1.00 11.41 H new ATOM 0 HB3 GLU A 35 -17.488 -4.998 -9.220 1.00 11.41 H new ATOM 0 HG2 GLU A 35 -16.688 -3.678 -7.533 1.00 54.10 H new ATOM 0 HG3 GLU A 35 -18.321 -3.909 -6.937 1.00 54.10 H new ATOM 583 N PRO A 36 -20.682 -4.599 -7.174 1.00 32.01 N ATOM 584 CA PRO A 36 -21.714 -3.559 -7.125 1.00 52.14 C ATOM 585 C PRO A 36 -21.152 -2.171 -7.414 1.00 32.53 C ATOM 586 O PRO A 36 -19.992 -2.029 -7.801 1.00 31.03 O ATOM 587 CB PRO A 36 -22.230 -3.639 -5.686 1.00 13.51 C ATOM 588 CG PRO A 36 -21.097 -4.211 -4.909 1.00 21.34 C ATOM 589 CD PRO A 36 -20.388 -5.153 -5.842 1.00 2.15 C ATOM 0 HA PRO A 36 -22.486 -3.715 -7.878 1.00 52.14 H new ATOM 0 HB2 PRO A 36 -22.510 -2.655 -5.311 1.00 13.51 H new ATOM 0 HB3 PRO A 36 -23.116 -4.271 -5.618 1.00 13.51 H new ATOM 0 HG2 PRO A 36 -20.425 -3.425 -4.563 1.00 21.34 H new ATOM 0 HG3 PRO A 36 -21.457 -4.736 -4.024 1.00 21.34 H new ATOM 0 HD2 PRO A 36 -19.316 -5.182 -5.646 1.00 2.15 H new ATOM 0 HD3 PRO A 36 -20.758 -6.173 -5.741 1.00 2.15 H new ATOM 597 N SER A 37 -21.982 -1.150 -7.221 1.00 63.24 N ATOM 598 CA SER A 37 -21.568 0.227 -7.464 1.00 22.23 C ATOM 599 C SER A 37 -21.168 0.424 -8.923 1.00 12.21 C ATOM 600 O SER A 37 -20.095 0.954 -9.218 1.00 14.34 O ATOM 601 CB SER A 37 -20.400 0.599 -6.548 1.00 51.41 C ATOM 602 OG SER A 37 -20.653 0.203 -5.212 1.00 42.10 O ATOM 0 H SER A 37 -22.944 -1.251 -6.897 1.00 63.24 H new ATOM 0 HA SER A 37 -22.414 0.879 -7.246 1.00 22.23 H new ATOM 0 HB2 SER A 37 -19.487 0.122 -6.905 1.00 51.41 H new ATOM 0 HB3 SER A 37 -20.233 1.675 -6.586 1.00 51.41 H new ATOM 0 HG SER A 37 -19.891 0.451 -4.648 1.00 42.10 H new ATOM 608 N CYS A 38 -22.037 -0.004 -9.831 1.00 75.21 N ATOM 609 CA CYS A 38 -21.776 0.125 -11.260 1.00 63.11 C ATOM 610 C CYS A 38 -21.761 1.590 -11.680 1.00 54.44 C ATOM 611 O CYS A 38 -22.811 2.193 -11.909 1.00 10.04 O ATOM 612 CB CYS A 38 -22.830 -0.639 -12.064 1.00 43.21 C ATOM 613 SG CYS A 38 -22.542 -2.421 -12.154 1.00 1.15 S ATOM 0 H CYS A 38 -22.929 -0.444 -9.603 1.00 75.21 H new ATOM 0 HA CYS A 38 -20.794 -0.302 -11.465 1.00 63.11 H new ATOM 0 HB2 CYS A 38 -23.809 -0.462 -11.619 1.00 43.21 H new ATOM 0 HB3 CYS A 38 -22.862 -0.236 -13.076 1.00 43.21 H new ATOM 0 HG CYS A 38 -23.487 -2.979 -12.852 1.00 1.15 H new ATOM 619 N THR A 39 -20.565 2.161 -11.780 1.00 40.31 N ATOM 620 CA THR A 39 -20.413 3.558 -12.170 1.00 34.45 C ATOM 621 C THR A 39 -20.223 3.690 -13.676 1.00 15.32 C ATOM 622 O THR A 39 -20.547 4.723 -14.262 1.00 74.45 O ATOM 623 CB THR A 39 -19.219 4.214 -11.453 1.00 45.51 C ATOM 624 OG1 THR A 39 -19.202 5.621 -11.718 1.00 45.52 O ATOM 625 CG2 THR A 39 -17.906 3.592 -11.908 1.00 73.53 C ATOM 0 H THR A 39 -19.686 1.677 -11.596 1.00 40.31 H new ATOM 0 HA THR A 39 -21.329 4.070 -11.876 1.00 34.45 H new ATOM 0 HB THR A 39 -19.330 4.047 -10.382 1.00 45.51 H new ATOM 0 HG1 THR A 39 -18.441 6.031 -11.257 1.00 45.52 H new ATOM 0 HG21 THR A 39 -17.077 4.072 -11.388 1.00 73.53 H new ATOM 0 HG22 THR A 39 -17.910 2.526 -11.680 1.00 73.53 H new ATOM 0 HG23 THR A 39 -17.790 3.732 -12.983 1.00 73.53 H new ATOM 633 N GLN A 40 -19.698 2.639 -14.297 1.00 33.33 N ATOM 634 CA GLN A 40 -19.467 2.640 -15.737 1.00 25.05 C ATOM 635 C GLN A 40 -20.756 2.346 -16.496 1.00 3.12 C ATOM 636 O GLN A 40 -21.166 3.117 -17.364 1.00 40.44 O ATOM 637 CB GLN A 40 -18.399 1.606 -16.103 1.00 5.54 C ATOM 638 CG GLN A 40 -17.833 1.787 -17.502 1.00 12.35 C ATOM 639 CD GLN A 40 -16.632 2.712 -17.531 1.00 63.20 C ATOM 640 OE1 GLN A 40 -16.197 3.216 -16.495 1.00 13.20 O ATOM 641 NE2 GLN A 40 -16.086 2.938 -18.721 1.00 21.15 N ATOM 0 H GLN A 40 -19.425 1.776 -13.826 1.00 33.33 H new ATOM 0 HA GLN A 40 -19.117 3.632 -16.023 1.00 25.05 H new ATOM 0 HB2 GLN A 40 -17.585 1.665 -15.380 1.00 5.54 H new ATOM 0 HB3 GLN A 40 -18.828 0.607 -16.020 1.00 5.54 H new ATOM 0 HG2 GLN A 40 -17.547 0.814 -17.903 1.00 12.35 H new ATOM 0 HG3 GLN A 40 -18.609 2.185 -18.155 1.00 12.35 H new ATOM 0 HE21 GLN A 40 -16.479 2.500 -19.554 1.00 21.15 H new ATOM 0 HE22 GLN A 40 -15.274 3.550 -18.802 1.00 21.15 H new ATOM 650 N TYR A 41 -21.392 1.229 -16.163 1.00 72.54 N ATOM 651 CA TYR A 41 -22.633 0.832 -16.816 1.00 13.21 C ATOM 652 C TYR A 41 -23.824 1.016 -15.879 1.00 40.04 C ATOM 653 O TYR A 41 -24.098 0.170 -15.029 1.00 24.32 O ATOM 654 CB TYR A 41 -22.552 -0.625 -17.273 1.00 43.32 C ATOM 655 CG TYR A 41 -23.845 -1.152 -17.853 1.00 0.43 C ATOM 656 CD1 TYR A 41 -24.164 -0.948 -19.190 1.00 23.40 C ATOM 657 CD2 TYR A 41 -24.749 -1.851 -17.063 1.00 74.35 C ATOM 658 CE1 TYR A 41 -25.345 -1.428 -19.724 1.00 44.54 C ATOM 659 CE2 TYR A 41 -25.931 -2.335 -17.589 1.00 73.11 C ATOM 660 CZ TYR A 41 -26.225 -2.121 -18.919 1.00 40.22 C ATOM 661 OH TYR A 41 -27.402 -2.599 -19.447 1.00 30.11 O ATOM 0 H TYR A 41 -21.068 0.582 -15.444 1.00 72.54 H new ATOM 0 HA TYR A 41 -22.775 1.471 -17.687 1.00 13.21 H new ATOM 0 HB2 TYR A 41 -21.764 -0.719 -18.020 1.00 43.32 H new ATOM 0 HB3 TYR A 41 -22.264 -1.247 -16.426 1.00 43.32 H new ATOM 0 HD1 TYR A 41 -23.477 -0.405 -19.823 1.00 23.40 H new ATOM 0 HD2 TYR A 41 -24.524 -2.019 -16.020 1.00 74.35 H new ATOM 0 HE1 TYR A 41 -25.577 -1.261 -20.765 1.00 44.54 H new ATOM 0 HE2 TYR A 41 -26.622 -2.879 -16.961 1.00 73.11 H new ATOM 0 HH TYR A 41 -28.159 -2.129 -19.039 1.00 30.11 H new ATOM 671 N THR A 42 -24.531 2.131 -16.044 1.00 24.02 N ATOM 672 CA THR A 42 -25.692 2.428 -15.215 1.00 30.01 C ATOM 673 C THR A 42 -26.930 2.672 -16.070 1.00 0.54 C ATOM 674 O THR A 42 -27.660 3.639 -15.856 1.00 14.00 O ATOM 675 CB THR A 42 -25.445 3.661 -14.324 1.00 53.31 C ATOM 676 OG1 THR A 42 -24.127 3.607 -13.768 1.00 4.52 O ATOM 677 CG2 THR A 42 -26.472 3.734 -13.204 1.00 42.33 C ATOM 0 H THR A 42 -24.319 2.842 -16.744 1.00 24.02 H new ATOM 0 HA THR A 42 -25.859 1.558 -14.580 1.00 30.01 H new ATOM 0 HB THR A 42 -25.542 4.554 -14.942 1.00 53.31 H new ATOM 0 HG1 THR A 42 -24.090 2.908 -13.082 1.00 4.52 H new ATOM 0 HG21 THR A 42 -26.277 4.612 -12.589 1.00 42.33 H new ATOM 0 HG22 THR A 42 -27.472 3.805 -13.632 1.00 42.33 H new ATOM 0 HG23 THR A 42 -26.403 2.837 -12.588 1.00 42.33 H new ATOM 685 N GLU A 43 -27.160 1.789 -17.036 1.00 21.02 N ATOM 686 CA GLU A 43 -28.311 1.910 -17.923 1.00 50.11 C ATOM 687 C GLU A 43 -29.145 0.633 -17.910 1.00 22.31 C ATOM 688 O GLU A 43 -28.679 -0.438 -17.521 1.00 30.53 O ATOM 689 CB GLU A 43 -27.853 2.219 -19.349 1.00 71.33 C ATOM 690 CG GLU A 43 -27.750 3.706 -19.647 1.00 64.23 C ATOM 691 CD GLU A 43 -26.920 3.996 -20.883 1.00 35.00 C ATOM 692 OE1 GLU A 43 -25.733 3.609 -20.905 1.00 52.40 O ATOM 693 OE2 GLU A 43 -27.457 4.611 -21.827 1.00 74.15 O ATOM 0 H GLU A 43 -26.565 0.982 -17.224 1.00 21.02 H new ATOM 0 HA GLU A 43 -28.931 2.731 -17.562 1.00 50.11 H new ATOM 0 HB2 GLU A 43 -26.881 1.755 -19.518 1.00 71.33 H new ATOM 0 HB3 GLU A 43 -28.550 1.764 -20.052 1.00 71.33 H new ATOM 0 HG2 GLU A 43 -28.751 4.116 -19.781 1.00 64.23 H new ATOM 0 HG3 GLU A 43 -27.309 4.215 -18.790 1.00 64.23 H new ATOM 700 N PRO A 44 -30.409 0.746 -18.344 1.00 43.45 N ATOM 701 CA PRO A 44 -31.335 -0.388 -18.392 1.00 21.52 C ATOM 702 C PRO A 44 -30.953 -1.402 -19.466 1.00 35.23 C ATOM 703 O PRO A 44 -30.235 -1.078 -20.413 1.00 75.33 O ATOM 704 CB PRO A 44 -32.679 0.264 -18.725 1.00 63.34 C ATOM 705 CG PRO A 44 -32.322 1.525 -19.434 1.00 40.55 C ATOM 706 CD PRO A 44 -31.030 1.993 -18.822 1.00 74.42 C ATOM 0 HA PRO A 44 -31.340 -0.951 -17.458 1.00 21.52 H new ATOM 0 HB2 PRO A 44 -33.289 -0.385 -19.354 1.00 63.34 H new ATOM 0 HB3 PRO A 44 -33.255 0.467 -17.822 1.00 63.34 H new ATOM 0 HG2 PRO A 44 -32.207 1.352 -20.504 1.00 40.55 H new ATOM 0 HG3 PRO A 44 -33.104 2.275 -19.315 1.00 40.55 H new ATOM 0 HD2 PRO A 44 -30.400 2.502 -19.552 1.00 74.42 H new ATOM 0 HD3 PRO A 44 -31.203 2.695 -18.006 1.00 74.42 H new ATOM 714 N LEU A 45 -31.439 -2.629 -19.313 1.00 3.12 N ATOM 715 CA LEU A 45 -31.149 -3.691 -20.270 1.00 51.21 C ATOM 716 C LEU A 45 -32.378 -4.013 -21.115 1.00 30.42 C ATOM 717 O LEU A 45 -32.262 -4.361 -22.289 1.00 54.30 O ATOM 718 CB LEU A 45 -30.675 -4.948 -19.540 1.00 24.25 C ATOM 719 CG LEU A 45 -30.330 -6.148 -20.422 1.00 44.43 C ATOM 720 CD1 LEU A 45 -29.132 -5.833 -21.305 1.00 61.02 C ATOM 721 CD2 LEU A 45 -30.056 -7.378 -19.568 1.00 72.12 C ATOM 0 H LEU A 45 -32.035 -2.913 -18.536 1.00 3.12 H new ATOM 0 HA LEU A 45 -30.356 -3.343 -20.932 1.00 51.21 H new ATOM 0 HB2 LEU A 45 -29.795 -4.691 -18.951 1.00 24.25 H new ATOM 0 HB3 LEU A 45 -31.452 -5.250 -18.838 1.00 24.25 H new ATOM 0 HG LEU A 45 -31.185 -6.360 -21.064 1.00 44.43 H new ATOM 0 HD11 LEU A 45 -28.900 -6.698 -21.926 1.00 61.02 H new ATOM 0 HD12 LEU A 45 -29.364 -4.980 -21.943 1.00 61.02 H new ATOM 0 HD13 LEU A 45 -28.272 -5.595 -20.680 1.00 61.02 H new ATOM 0 HD21 LEU A 45 -29.812 -8.222 -20.213 1.00 72.12 H new ATOM 0 HD22 LEU A 45 -29.218 -7.178 -18.900 1.00 72.12 H new ATOM 0 HD23 LEU A 45 -30.941 -7.616 -18.978 1.00 72.12 H new ATOM 733 N MET A 46 -33.555 -3.894 -20.507 1.00 10.31 N ATOM 734 CA MET A 46 -34.805 -4.168 -21.205 1.00 20.24 C ATOM 735 C MET A 46 -35.936 -3.306 -20.653 1.00 74.02 C ATOM 736 O MET A 46 -35.986 -3.022 -19.458 1.00 10.30 O ATOM 737 CB MET A 46 -35.170 -5.649 -21.078 1.00 40.32 C ATOM 738 CG MET A 46 -35.394 -6.100 -19.644 1.00 13.11 C ATOM 739 SD MET A 46 -36.105 -7.754 -19.539 1.00 65.10 S ATOM 740 CE MET A 46 -34.624 -8.760 -19.582 1.00 23.45 C ATOM 0 H MET A 46 -33.668 -3.610 -19.534 1.00 10.31 H new ATOM 0 HA MET A 46 -34.666 -3.923 -22.258 1.00 20.24 H new ATOM 0 HB2 MET A 46 -36.073 -5.843 -21.656 1.00 40.32 H new ATOM 0 HB3 MET A 46 -34.374 -6.250 -21.519 1.00 40.32 H new ATOM 0 HG2 MET A 46 -34.444 -6.082 -19.109 1.00 13.11 H new ATOM 0 HG3 MET A 46 -36.055 -5.392 -19.144 1.00 13.11 H new ATOM 0 HE1 MET A 46 -34.898 -9.813 -19.525 1.00 23.45 H new ATOM 0 HE2 MET A 46 -34.085 -8.575 -20.511 1.00 23.45 H new ATOM 0 HE3 MET A 46 -33.986 -8.505 -18.736 1.00 23.45 H new ATOM 750 N ASN A 47 -36.843 -2.893 -21.534 1.00 22.22 N ATOM 751 CA ASN A 47 -37.972 -2.062 -21.134 1.00 12.21 C ATOM 752 C ASN A 47 -39.278 -2.611 -21.700 1.00 55.51 C ATOM 753 O ASN A 47 -39.486 -2.618 -22.913 1.00 54.41 O ATOM 754 CB ASN A 47 -37.765 -0.621 -21.606 1.00 20.41 C ATOM 755 CG ASN A 47 -37.111 -0.549 -22.973 1.00 12.30 C ATOM 756 OD1 ASN A 47 -37.792 -0.432 -23.992 1.00 41.10 O ATOM 757 ND2 ASN A 47 -35.786 -0.619 -22.999 1.00 72.13 N ATOM 0 H ASN A 47 -36.817 -3.120 -22.528 1.00 22.22 H new ATOM 0 HA ASN A 47 -38.033 -2.075 -20.046 1.00 12.21 H new ATOM 0 HB2 ASN A 47 -38.728 -0.111 -21.639 1.00 20.41 H new ATOM 0 HB3 ASN A 47 -37.147 -0.090 -20.882 1.00 20.41 H new ATOM 0 HD21 ASN A 47 -35.290 -0.576 -23.889 1.00 72.13 H new ATOM 0 HD22 ASN A 47 -35.263 -0.716 -22.129 1.00 72.13 H new ATOM 764 N TRP A 48 -40.154 -3.070 -20.813 1.00 12.30 N ATOM 765 CA TRP A 48 -41.441 -3.620 -21.224 1.00 31.21 C ATOM 766 C TRP A 48 -42.588 -2.732 -20.754 1.00 23.44 C ATOM 767 O TRP A 48 -42.908 -2.691 -19.565 1.00 35.51 O ATOM 768 CB TRP A 48 -41.613 -5.035 -20.670 1.00 14.44 C ATOM 769 CG TRP A 48 -42.502 -5.899 -21.513 1.00 13.43 C ATOM 770 CD1 TRP A 48 -43.798 -6.242 -21.252 1.00 2.11 C ATOM 771 CD2 TRP A 48 -42.159 -6.531 -22.751 1.00 42.32 C ATOM 772 NE1 TRP A 48 -44.280 -7.049 -22.254 1.00 35.12 N ATOM 773 CE2 TRP A 48 -43.295 -7.240 -23.186 1.00 43.31 C ATOM 774 CE3 TRP A 48 -41.002 -6.564 -23.536 1.00 14.25 C ATOM 775 CZ2 TRP A 48 -43.306 -7.974 -24.369 1.00 1.24 C ATOM 776 CZ3 TRP A 48 -41.015 -7.292 -24.709 1.00 72.12 C ATOM 777 CH2 TRP A 48 -42.161 -7.989 -25.118 1.00 20.31 C ATOM 0 H TRP A 48 -39.997 -3.072 -19.805 1.00 12.30 H new ATOM 0 HA TRP A 48 -41.461 -3.659 -22.313 1.00 31.21 H new ATOM 0 HB2 TRP A 48 -40.634 -5.506 -20.586 1.00 14.44 H new ATOM 0 HB3 TRP A 48 -42.025 -4.976 -19.663 1.00 14.44 H new ATOM 0 HD1 TRP A 48 -44.361 -5.926 -20.386 1.00 2.11 H new ATOM 0 HE1 TRP A 48 -45.220 -7.442 -22.297 1.00 35.12 H new ATOM 0 HE3 TRP A 48 -40.115 -6.030 -23.230 1.00 14.25 H new ATOM 0 HZ2 TRP A 48 -44.187 -8.513 -24.684 1.00 1.24 H new ATOM 0 HZ3 TRP A 48 -40.127 -7.325 -25.322 1.00 72.12 H new ATOM 0 HH2 TRP A 48 -42.139 -8.548 -26.042 1.00 20.31 H new ATOM 788 N THR A 49 -43.205 -2.023 -21.694 1.00 34.21 N ATOM 789 CA THR A 49 -44.317 -1.135 -21.374 1.00 61.35 C ATOM 790 C THR A 49 -43.999 -0.273 -20.158 1.00 55.22 C ATOM 791 O THR A 49 -44.702 -0.323 -19.150 1.00 60.31 O ATOM 792 CB THR A 49 -45.609 -1.928 -21.105 1.00 43.32 C ATOM 793 OG1 THR A 49 -45.306 -3.133 -20.394 1.00 61.53 O ATOM 794 CG2 THR A 49 -46.318 -2.267 -22.408 1.00 71.32 C ATOM 0 H THR A 49 -42.954 -2.046 -22.682 1.00 34.21 H new ATOM 0 HA THR A 49 -44.469 -0.492 -22.241 1.00 61.35 H new ATOM 0 HB THR A 49 -46.270 -1.307 -20.501 1.00 43.32 H new ATOM 0 HG1 THR A 49 -44.574 -2.966 -19.764 1.00 61.53 H new ATOM 0 HG21 THR A 49 -47.228 -2.827 -22.192 1.00 71.32 H new ATOM 0 HG22 THR A 49 -46.574 -1.347 -22.933 1.00 71.32 H new ATOM 0 HG23 THR A 49 -45.660 -2.870 -23.034 1.00 71.32 H new ATOM 802 N GLY A 50 -42.937 0.520 -20.261 1.00 30.24 N ATOM 803 CA GLY A 50 -42.547 1.383 -19.162 1.00 24.54 C ATOM 804 C GLY A 50 -41.209 2.056 -19.399 1.00 41.02 C ATOM 805 O GLY A 50 -40.298 1.457 -19.970 1.00 54.14 O ATOM 0 H GLY A 50 -42.340 0.580 -21.086 1.00 30.24 H new ATOM 0 HA2 GLY A 50 -43.312 2.145 -19.013 1.00 24.54 H new ATOM 0 HA3 GLY A 50 -42.498 0.797 -18.244 1.00 24.54 H new ATOM 809 N SER A 51 -41.092 3.305 -18.962 1.00 10.32 N ATOM 810 CA SER A 51 -39.858 4.064 -19.136 1.00 34.40 C ATOM 811 C SER A 51 -38.894 3.803 -17.982 1.00 12.12 C ATOM 812 O SER A 51 -39.272 3.881 -16.813 1.00 3.23 O ATOM 813 CB SER A 51 -40.163 5.559 -19.234 1.00 20.13 C ATOM 814 OG SER A 51 -40.811 6.026 -18.062 1.00 74.33 O ATOM 0 H SER A 51 -41.836 3.814 -18.485 1.00 10.32 H new ATOM 0 HA SER A 51 -39.386 3.737 -20.062 1.00 34.40 H new ATOM 0 HB2 SER A 51 -39.237 6.113 -19.386 1.00 20.13 H new ATOM 0 HB3 SER A 51 -40.794 5.748 -20.102 1.00 20.13 H new ATOM 0 HG SER A 51 -40.576 5.449 -17.306 1.00 74.33 H new ATOM 820 N HIS A 52 -37.646 3.494 -18.320 1.00 43.21 N ATOM 821 CA HIS A 52 -36.626 3.224 -17.313 1.00 73.54 C ATOM 822 C HIS A 52 -37.097 2.148 -16.339 1.00 31.13 C ATOM 823 O HIS A 52 -36.853 2.237 -15.135 1.00 11.40 O ATOM 824 CB HIS A 52 -36.279 4.503 -16.551 1.00 35.34 C ATOM 825 CG HIS A 52 -34.864 4.543 -16.062 1.00 3.33 C ATOM 826 ND1 HIS A 52 -33.784 4.728 -16.898 1.00 52.30 N ATOM 827 CD2 HIS A 52 -34.355 4.423 -14.814 1.00 4.15 C ATOM 828 CE1 HIS A 52 -32.671 4.719 -16.186 1.00 72.34 C ATOM 829 NE2 HIS A 52 -32.991 4.536 -14.917 1.00 63.45 N ATOM 0 H HIS A 52 -37.317 3.424 -19.283 1.00 43.21 H new ATOM 0 HA HIS A 52 -35.733 2.862 -17.823 1.00 73.54 H new ATOM 0 HB2 HIS A 52 -36.455 5.361 -17.199 1.00 35.34 H new ATOM 0 HB3 HIS A 52 -36.952 4.603 -15.699 1.00 35.34 H new ATOM 0 HD2 HIS A 52 -34.918 4.267 -13.905 1.00 4.15 H new ATOM 0 HE1 HIS A 52 -31.671 4.840 -16.575 1.00 72.34 H new ATOM 0 HE2 HIS A 52 -32.332 4.487 -14.140 1.00 63.45 H new ATOM 837 N ASP A 53 -37.773 1.133 -16.866 1.00 43.53 N ATOM 838 CA ASP A 53 -38.278 0.040 -16.044 1.00 3.44 C ATOM 839 C ASP A 53 -37.574 -1.268 -16.386 1.00 64.34 C ATOM 840 O ASP A 53 -37.878 -1.905 -17.396 1.00 61.12 O ATOM 841 CB ASP A 53 -39.787 -0.113 -16.233 1.00 71.51 C ATOM 842 CG ASP A 53 -40.582 0.800 -15.321 1.00 32.22 C ATOM 843 OD1 ASP A 53 -40.109 1.074 -14.198 1.00 52.32 O ATOM 844 OD2 ASP A 53 -41.677 1.241 -15.729 1.00 21.43 O ATOM 0 H ASP A 53 -37.984 1.045 -17.860 1.00 43.53 H new ATOM 0 HA ASP A 53 -38.073 0.279 -15.000 1.00 3.44 H new ATOM 0 HB2 ASP A 53 -40.044 0.102 -17.270 1.00 71.51 H new ATOM 0 HB3 ASP A 53 -40.071 -1.148 -16.042 1.00 71.51 H new ATOM 849 N THR A 54 -36.628 -1.665 -15.540 1.00 31.13 N ATOM 850 CA THR A 54 -35.878 -2.897 -15.754 1.00 23.11 C ATOM 851 C THR A 54 -35.670 -3.649 -14.444 1.00 15.10 C ATOM 852 O THR A 54 -35.981 -3.139 -13.368 1.00 32.31 O ATOM 853 CB THR A 54 -34.505 -2.615 -16.395 1.00 15.54 C ATOM 854 OG1 THR A 54 -33.879 -3.846 -16.771 1.00 11.12 O ATOM 855 CG2 THR A 54 -33.606 -1.855 -15.432 1.00 2.13 C ATOM 0 H THR A 54 -36.363 -1.151 -14.700 1.00 31.13 H new ATOM 0 HA THR A 54 -36.468 -3.512 -16.433 1.00 23.11 H new ATOM 0 HB THR A 54 -34.660 -2.002 -17.283 1.00 15.54 H new ATOM 0 HG1 THR A 54 -32.915 -3.704 -16.875 1.00 11.12 H new ATOM 0 HG21 THR A 54 -32.642 -1.667 -15.905 1.00 2.13 H new ATOM 0 HG22 THR A 54 -34.073 -0.906 -15.170 1.00 2.13 H new ATOM 0 HG23 THR A 54 -33.457 -2.447 -14.529 1.00 2.13 H new ATOM 863 N LYS A 55 -35.142 -4.864 -14.543 1.00 11.04 N ATOM 864 CA LYS A 55 -34.890 -5.687 -13.366 1.00 11.31 C ATOM 865 C LYS A 55 -33.429 -6.122 -13.309 1.00 20.42 C ATOM 866 O LYS A 55 -32.952 -6.839 -14.188 1.00 41.53 O ATOM 867 CB LYS A 55 -35.800 -6.918 -13.374 1.00 41.52 C ATOM 868 CG LYS A 55 -37.191 -6.648 -12.828 1.00 34.53 C ATOM 869 CD LYS A 55 -37.807 -7.903 -12.230 1.00 12.23 C ATOM 870 CE LYS A 55 -38.141 -8.926 -13.303 1.00 73.02 C ATOM 871 NZ LYS A 55 -36.977 -9.800 -13.619 1.00 13.35 N ATOM 0 H LYS A 55 -34.880 -5.301 -15.427 1.00 11.04 H new ATOM 0 HA LYS A 55 -35.107 -5.088 -12.482 1.00 11.31 H new ATOM 0 HB2 LYS A 55 -35.885 -7.290 -14.395 1.00 41.52 H new ATOM 0 HB3 LYS A 55 -35.334 -7.708 -12.785 1.00 41.52 H new ATOM 0 HG2 LYS A 55 -37.140 -5.869 -12.068 1.00 34.53 H new ATOM 0 HG3 LYS A 55 -37.830 -6.273 -13.627 1.00 34.53 H new ATOM 0 HD2 LYS A 55 -37.115 -8.342 -11.511 1.00 12.23 H new ATOM 0 HD3 LYS A 55 -38.712 -7.640 -11.683 1.00 12.23 H new ATOM 0 HE2 LYS A 55 -38.977 -9.541 -12.970 1.00 73.02 H new ATOM 0 HE3 LYS A 55 -38.464 -8.411 -14.208 1.00 73.02 H new ATOM 0 HZ1 LYS A 55 -37.316 -10.746 -13.888 1.00 13.35 H new ATOM 0 HZ2 LYS A 55 -36.438 -9.389 -14.407 1.00 13.35 H new ATOM 0 HZ3 LYS A 55 -36.363 -9.877 -12.783 1.00 13.35 H new ATOM 885 N GLN A 56 -32.727 -5.686 -12.269 1.00 2.41 N ATOM 886 CA GLN A 56 -31.320 -6.031 -12.098 1.00 35.44 C ATOM 887 C GLN A 56 -31.078 -6.669 -10.734 1.00 33.44 C ATOM 888 O GLN A 56 -31.841 -6.451 -9.793 1.00 0.42 O ATOM 889 CB GLN A 56 -30.444 -4.787 -12.255 1.00 12.33 C ATOM 890 CG GLN A 56 -29.036 -5.091 -12.738 1.00 31.42 C ATOM 891 CD GLN A 56 -28.347 -3.879 -13.331 1.00 15.35 C ATOM 892 OE1 GLN A 56 -28.589 -3.514 -14.482 1.00 62.23 O ATOM 893 NE2 GLN A 56 -27.483 -3.245 -12.546 1.00 31.40 N ATOM 0 H GLN A 56 -33.109 -5.093 -11.532 1.00 2.41 H new ATOM 0 HA GLN A 56 -31.053 -6.753 -12.869 1.00 35.44 H new ATOM 0 HB2 GLN A 56 -30.921 -4.104 -12.958 1.00 12.33 H new ATOM 0 HB3 GLN A 56 -30.387 -4.270 -11.297 1.00 12.33 H new ATOM 0 HG2 GLN A 56 -28.444 -5.469 -11.904 1.00 31.42 H new ATOM 0 HG3 GLN A 56 -29.076 -5.883 -13.486 1.00 31.42 H new ATOM 0 HE21 GLN A 56 -27.313 -3.582 -11.598 1.00 31.40 H new ATOM 0 HE22 GLN A 56 -26.990 -2.421 -12.891 1.00 31.40 H new ATOM 902 N GLN A 57 -30.014 -7.459 -10.636 1.00 33.32 N ATOM 903 CA GLN A 57 -29.674 -8.129 -9.386 1.00 44.22 C ATOM 904 C GLN A 57 -28.163 -8.154 -9.177 1.00 3.32 C ATOM 905 O GLN A 57 -27.401 -8.428 -10.103 1.00 72.50 O ATOM 906 CB GLN A 57 -30.224 -9.556 -9.382 1.00 14.13 C ATOM 907 CG GLN A 57 -31.724 -9.629 -9.146 1.00 53.43 C ATOM 908 CD GLN A 57 -32.188 -11.019 -8.760 1.00 25.23 C ATOM 909 OE1 GLN A 57 -32.084 -11.421 -7.599 1.00 53.43 O ATOM 910 NE2 GLN A 57 -32.703 -11.763 -9.731 1.00 30.52 N ATOM 0 H GLN A 57 -29.373 -7.651 -11.406 1.00 33.32 H new ATOM 0 HA GLN A 57 -30.128 -7.570 -8.568 1.00 44.22 H new ATOM 0 HB2 GLN A 57 -29.991 -10.029 -10.336 1.00 14.13 H new ATOM 0 HB3 GLN A 57 -29.714 -10.131 -8.609 1.00 14.13 H new ATOM 0 HG2 GLN A 57 -31.998 -8.927 -8.359 1.00 53.43 H new ATOM 0 HG3 GLN A 57 -32.246 -9.314 -10.050 1.00 53.43 H new ATOM 0 HE21 GLN A 57 -32.770 -11.390 -10.678 1.00 30.52 H new ATOM 0 HE22 GLN A 57 -33.032 -12.707 -9.530 1.00 30.52 H new ATOM 919 N VAL A 58 -27.736 -7.865 -7.951 1.00 42.14 N ATOM 920 CA VAL A 58 -26.317 -7.854 -7.619 1.00 45.04 C ATOM 921 C VAL A 58 -25.655 -9.176 -7.992 1.00 63.44 C ATOM 922 O VAL A 58 -24.487 -9.210 -8.381 1.00 4.23 O ATOM 923 CB VAL A 58 -26.093 -7.586 -6.119 1.00 24.34 C ATOM 924 CG1 VAL A 58 -26.490 -6.161 -5.766 1.00 33.05 C ATOM 925 CG2 VAL A 58 -26.868 -8.589 -5.278 1.00 21.22 C ATOM 0 H VAL A 58 -28.353 -7.636 -7.172 1.00 42.14 H new ATOM 0 HA VAL A 58 -25.864 -7.048 -8.196 1.00 45.04 H new ATOM 0 HB VAL A 58 -25.032 -7.706 -5.900 1.00 24.34 H new ATOM 0 HG11 VAL A 58 -26.325 -5.990 -4.702 1.00 33.05 H new ATOM 0 HG12 VAL A 58 -25.886 -5.461 -6.344 1.00 33.05 H new ATOM 0 HG13 VAL A 58 -27.544 -6.009 -5.999 1.00 33.05 H new ATOM 0 HG21 VAL A 58 -26.698 -8.385 -4.221 1.00 21.22 H new ATOM 0 HG22 VAL A 58 -27.932 -8.503 -5.498 1.00 21.22 H new ATOM 0 HG23 VAL A 58 -26.529 -9.598 -5.512 1.00 21.22 H new ATOM 935 N CYS A 59 -26.409 -10.263 -7.871 1.00 11.25 N ATOM 936 CA CYS A 59 -25.896 -11.589 -8.195 1.00 21.51 C ATOM 937 C CYS A 59 -26.872 -12.346 -9.090 1.00 71.14 C ATOM 938 O CYS A 59 -28.088 -12.242 -8.927 1.00 74.21 O ATOM 939 CB CYS A 59 -25.636 -12.385 -6.916 1.00 31.44 C ATOM 940 SG CYS A 59 -27.136 -12.854 -6.020 1.00 12.41 S ATOM 0 H CYS A 59 -27.377 -10.252 -7.551 1.00 11.25 H new ATOM 0 HA CYS A 59 -24.957 -11.466 -8.735 1.00 21.51 H new ATOM 0 HB2 CYS A 59 -25.080 -13.288 -7.169 1.00 31.44 H new ATOM 0 HB3 CYS A 59 -25.001 -11.794 -6.256 1.00 31.44 H new ATOM 0 HG CYS A 59 -28.159 -12.780 -6.818 1.00 12.41 H new ATOM 946 N LEU A 60 -26.332 -13.106 -10.036 1.00 42.03 N ATOM 947 CA LEU A 60 -27.155 -13.879 -10.960 1.00 22.11 C ATOM 948 C LEU A 60 -26.573 -15.273 -11.172 1.00 24.53 C ATOM 949 O LEU A 60 -25.469 -15.572 -10.714 1.00 32.15 O ATOM 950 CB LEU A 60 -27.271 -13.153 -12.300 1.00 54.24 C ATOM 951 CG LEU A 60 -26.047 -13.229 -13.213 1.00 51.44 C ATOM 952 CD1 LEU A 60 -26.175 -14.393 -14.184 1.00 14.41 C ATOM 953 CD2 LEU A 60 -25.865 -11.921 -13.969 1.00 42.13 C ATOM 0 H LEU A 60 -25.327 -13.204 -10.184 1.00 42.03 H new ATOM 0 HA LEU A 60 -28.148 -13.983 -10.523 1.00 22.11 H new ATOM 0 HB2 LEU A 60 -28.127 -13.561 -12.838 1.00 54.24 H new ATOM 0 HB3 LEU A 60 -27.488 -12.103 -12.104 1.00 54.24 H new ATOM 0 HG LEU A 60 -25.166 -13.395 -12.593 1.00 51.44 H new ATOM 0 HD11 LEU A 60 -25.294 -14.430 -14.825 1.00 14.41 H new ATOM 0 HD12 LEU A 60 -26.257 -15.325 -13.625 1.00 14.41 H new ATOM 0 HD13 LEU A 60 -27.065 -14.258 -14.798 1.00 14.41 H new ATOM 0 HD21 LEU A 60 -24.989 -11.992 -14.614 1.00 42.13 H new ATOM 0 HD22 LEU A 60 -26.749 -11.726 -14.577 1.00 42.13 H new ATOM 0 HD23 LEU A 60 -25.727 -11.106 -13.258 1.00 42.13 H new ATOM 965 N SER A 61 -27.319 -16.121 -11.872 1.00 2.21 N ATOM 966 CA SER A 61 -26.877 -17.483 -12.144 1.00 74.34 C ATOM 967 C SER A 61 -26.950 -17.790 -13.637 1.00 51.10 C ATOM 968 O SER A 61 -27.816 -17.277 -14.347 1.00 1.43 O ATOM 969 CB SER A 61 -27.731 -18.484 -11.364 1.00 74.21 C ATOM 970 OG SER A 61 -27.404 -18.469 -9.985 1.00 41.01 O ATOM 0 H SER A 61 -28.233 -15.889 -12.261 1.00 2.21 H new ATOM 0 HA SER A 61 -25.839 -17.573 -11.822 1.00 74.34 H new ATOM 0 HB2 SER A 61 -28.786 -18.244 -11.493 1.00 74.21 H new ATOM 0 HB3 SER A 61 -27.580 -19.486 -11.766 1.00 74.21 H new ATOM 0 HG SER A 61 -27.965 -19.116 -9.509 1.00 41.01 H new ATOM 976 N PHE A 62 -26.036 -18.632 -14.107 1.00 23.11 N ATOM 977 CA PHE A 62 -25.995 -19.008 -15.515 1.00 72.11 C ATOM 978 C PHE A 62 -26.089 -20.522 -15.677 1.00 71.41 C ATOM 979 O PHE A 62 -25.927 -21.273 -14.715 1.00 72.21 O ATOM 980 CB PHE A 62 -24.708 -18.493 -16.165 1.00 31.24 C ATOM 981 CG PHE A 62 -24.799 -17.068 -16.630 1.00 12.22 C ATOM 982 CD1 PHE A 62 -25.734 -16.695 -17.582 1.00 42.34 C ATOM 983 CD2 PHE A 62 -23.952 -16.102 -16.113 1.00 52.41 C ATOM 984 CE1 PHE A 62 -25.819 -15.384 -18.013 1.00 23.24 C ATOM 985 CE2 PHE A 62 -24.034 -14.789 -16.538 1.00 63.12 C ATOM 986 CZ PHE A 62 -24.968 -14.429 -17.489 1.00 35.10 C ATOM 0 H PHE A 62 -25.314 -19.067 -13.533 1.00 23.11 H new ATOM 0 HA PHE A 62 -26.852 -18.553 -16.012 1.00 72.11 H new ATOM 0 HB2 PHE A 62 -23.889 -18.582 -15.451 1.00 31.24 H new ATOM 0 HB3 PHE A 62 -24.460 -19.129 -17.015 1.00 31.24 H new ATOM 0 HD1 PHE A 62 -26.404 -17.436 -17.992 1.00 42.34 H new ATOM 0 HD2 PHE A 62 -23.219 -16.378 -15.369 1.00 52.41 H new ATOM 0 HE1 PHE A 62 -26.550 -15.106 -18.758 1.00 23.24 H new ATOM 0 HE2 PHE A 62 -23.368 -14.045 -16.126 1.00 63.12 H new ATOM 0 HZ PHE A 62 -25.034 -13.404 -17.823 1.00 35.10 H new ATOM 996 N THR A 63 -26.354 -20.965 -16.903 1.00 45.41 N ATOM 997 CA THR A 63 -26.472 -22.388 -17.192 1.00 23.31 C ATOM 998 C THR A 63 -25.102 -23.021 -17.406 1.00 60.53 C ATOM 999 O THR A 63 -24.804 -24.084 -16.859 1.00 2.04 O ATOM 1000 CB THR A 63 -27.341 -22.637 -18.439 1.00 31.21 C ATOM 1001 OG1 THR A 63 -28.390 -21.665 -18.508 1.00 51.03 O ATOM 1002 CG2 THR A 63 -27.941 -24.036 -18.410 1.00 1.31 C ATOM 0 H THR A 63 -26.491 -20.358 -17.711 1.00 45.41 H new ATOM 0 HA THR A 63 -26.950 -22.848 -16.327 1.00 23.31 H new ATOM 0 HB THR A 63 -26.706 -22.549 -19.320 1.00 31.21 H new ATOM 0 HG1 THR A 63 -28.937 -21.830 -19.305 1.00 51.03 H new ATOM 0 HG21 THR A 63 -28.551 -24.189 -19.301 1.00 1.31 H new ATOM 0 HG22 THR A 63 -27.140 -24.775 -18.387 1.00 1.31 H new ATOM 0 HG23 THR A 63 -28.562 -24.147 -17.521 1.00 1.31 H new ATOM 1010 N THR A 64 -24.269 -22.364 -18.207 1.00 12.51 N ATOM 1011 CA THR A 64 -22.930 -22.862 -18.495 1.00 35.42 C ATOM 1012 C THR A 64 -21.893 -21.753 -18.373 1.00 42.33 C ATOM 1013 O THR A 64 -22.224 -20.569 -18.449 1.00 43.15 O ATOM 1014 CB THR A 64 -22.850 -23.473 -19.906 1.00 3.01 C ATOM 1015 OG1 THR A 64 -23.052 -22.455 -20.892 1.00 74.13 O ATOM 1016 CG2 THR A 64 -23.889 -24.570 -20.082 1.00 32.40 C ATOM 0 H THR A 64 -24.499 -21.484 -18.669 1.00 12.51 H new ATOM 0 HA THR A 64 -22.716 -23.637 -17.759 1.00 35.42 H new ATOM 0 HB THR A 64 -21.860 -23.910 -20.033 1.00 3.01 H new ATOM 0 HG1 THR A 64 -22.998 -22.851 -21.787 1.00 74.13 H new ATOM 0 HG21 THR A 64 -23.812 -24.986 -21.087 1.00 32.40 H new ATOM 0 HG22 THR A 64 -23.714 -25.358 -19.349 1.00 32.40 H new ATOM 0 HG23 THR A 64 -24.886 -24.154 -19.937 1.00 32.40 H new ATOM 1024 N ARG A 65 -20.636 -22.142 -18.184 1.00 63.30 N ATOM 1025 CA ARG A 65 -19.549 -21.179 -18.052 1.00 53.21 C ATOM 1026 C ARG A 65 -19.463 -20.284 -19.284 1.00 51.01 C ATOM 1027 O ARG A 65 -19.245 -19.079 -19.173 1.00 1.52 O ATOM 1028 CB ARG A 65 -18.220 -21.905 -17.842 1.00 24.34 C ATOM 1029 CG ARG A 65 -17.897 -22.913 -18.932 1.00 4.21 C ATOM 1030 CD ARG A 65 -16.912 -22.345 -19.942 1.00 1.23 C ATOM 1031 NE ARG A 65 -15.957 -23.350 -20.401 1.00 13.05 N ATOM 1032 CZ ARG A 65 -16.262 -24.312 -21.264 1.00 64.33 C ATOM 1033 NH1 ARG A 65 -17.488 -24.399 -21.760 1.00 34.31 N ATOM 1034 NH2 ARG A 65 -15.337 -25.190 -21.634 1.00 12.30 N ATOM 0 H ARG A 65 -20.345 -23.118 -18.119 1.00 63.30 H new ATOM 0 HA ARG A 65 -19.755 -20.553 -17.184 1.00 53.21 H new ATOM 0 HB2 ARG A 65 -17.418 -21.169 -17.791 1.00 24.34 H new ATOM 0 HB3 ARG A 65 -18.244 -22.418 -16.880 1.00 24.34 H new ATOM 0 HG2 ARG A 65 -17.480 -23.815 -18.483 1.00 4.21 H new ATOM 0 HG3 ARG A 65 -18.815 -23.206 -19.442 1.00 4.21 H new ATOM 0 HD2 ARG A 65 -17.459 -21.947 -20.797 1.00 1.23 H new ATOM 0 HD3 ARG A 65 -16.373 -21.511 -19.493 1.00 1.23 H new ATOM 0 HE ARG A 65 -15.004 -23.311 -20.039 1.00 13.05 H new ATOM 0 HH11 ARG A 65 -18.201 -23.726 -21.479 1.00 34.31 H new ATOM 0 HH12 ARG A 65 -17.719 -25.139 -22.423 1.00 34.31 H new ATOM 0 HH21 ARG A 65 -14.392 -25.125 -21.255 1.00 12.30 H new ATOM 0 HH22 ARG A 65 -15.571 -25.929 -22.297 1.00 12.30 H new ATOM 1048 N GLU A 66 -19.634 -20.884 -20.459 1.00 13.03 N ATOM 1049 CA GLU A 66 -19.574 -20.141 -21.711 1.00 43.41 C ATOM 1050 C GLU A 66 -20.494 -18.924 -21.667 1.00 41.40 C ATOM 1051 O GLU A 66 -20.224 -17.904 -22.302 1.00 4.51 O ATOM 1052 CB GLU A 66 -19.960 -21.043 -22.885 1.00 11.21 C ATOM 1053 CG GLU A 66 -18.781 -21.776 -23.504 1.00 14.50 C ATOM 1054 CD GLU A 66 -19.165 -23.134 -24.057 1.00 65.14 C ATOM 1055 OE1 GLU A 66 -19.778 -23.926 -23.312 1.00 11.14 O ATOM 1056 OE2 GLU A 66 -18.851 -23.406 -25.235 1.00 64.13 O ATOM 0 H GLU A 66 -19.815 -21.882 -20.569 1.00 13.03 H new ATOM 0 HA GLU A 66 -18.549 -19.796 -21.849 1.00 43.41 H new ATOM 0 HB2 GLU A 66 -20.693 -21.774 -22.545 1.00 11.21 H new ATOM 0 HB3 GLU A 66 -20.445 -20.439 -23.652 1.00 11.21 H new ATOM 0 HG2 GLU A 66 -18.359 -21.168 -24.304 1.00 14.50 H new ATOM 0 HG3 GLU A 66 -18.001 -21.901 -22.753 1.00 14.50 H new ATOM 1063 N LEU A 67 -21.581 -19.039 -20.914 1.00 33.41 N ATOM 1064 CA LEU A 67 -22.543 -17.950 -20.785 1.00 54.32 C ATOM 1065 C LEU A 67 -22.037 -16.889 -19.813 1.00 40.10 C ATOM 1066 O LEU A 67 -22.206 -15.691 -20.042 1.00 61.05 O ATOM 1067 CB LEU A 67 -23.894 -18.488 -20.313 1.00 75.11 C ATOM 1068 CG LEU A 67 -24.902 -18.829 -21.411 1.00 14.42 C ATOM 1069 CD1 LEU A 67 -26.088 -19.584 -20.831 1.00 71.45 C ATOM 1070 CD2 LEU A 67 -25.368 -17.564 -22.118 1.00 63.24 C ATOM 0 H LEU A 67 -21.819 -19.876 -20.382 1.00 33.41 H new ATOM 0 HA LEU A 67 -22.666 -17.490 -21.765 1.00 54.32 H new ATOM 0 HB2 LEU A 67 -23.718 -19.384 -19.718 1.00 75.11 H new ATOM 0 HB3 LEU A 67 -24.345 -17.749 -19.650 1.00 75.11 H new ATOM 0 HG LEU A 67 -24.411 -19.471 -22.142 1.00 14.42 H new ATOM 0 HD11 LEU A 67 -26.795 -19.818 -21.627 1.00 71.45 H new ATOM 0 HD12 LEU A 67 -25.741 -20.509 -20.371 1.00 71.45 H new ATOM 0 HD13 LEU A 67 -26.580 -18.967 -20.079 1.00 71.45 H new ATOM 0 HD21 LEU A 67 -26.085 -17.825 -22.896 1.00 63.24 H new ATOM 0 HD22 LEU A 67 -25.842 -16.898 -21.397 1.00 63.24 H new ATOM 0 HD23 LEU A 67 -24.511 -17.062 -22.568 1.00 63.24 H new ATOM 1082 N ALA A 68 -21.415 -17.337 -18.727 1.00 54.01 N ATOM 1083 CA ALA A 68 -20.882 -16.427 -17.723 1.00 3.21 C ATOM 1084 C ALA A 68 -19.743 -15.586 -18.293 1.00 25.45 C ATOM 1085 O ALA A 68 -19.863 -14.367 -18.420 1.00 65.41 O ATOM 1086 CB ALA A 68 -20.407 -17.204 -16.504 1.00 62.21 C ATOM 0 H ALA A 68 -21.268 -18.325 -18.521 1.00 54.01 H new ATOM 0 HA ALA A 68 -21.682 -15.751 -17.420 1.00 3.21 H new ATOM 0 HB1 ALA A 68 -20.011 -16.511 -15.762 1.00 62.21 H new ATOM 0 HB2 ALA A 68 -21.244 -17.755 -16.075 1.00 62.21 H new ATOM 0 HB3 ALA A 68 -19.625 -17.903 -16.800 1.00 62.21 H new ATOM 1092 N ILE A 69 -18.641 -16.246 -18.632 1.00 2.31 N ATOM 1093 CA ILE A 69 -17.482 -15.559 -19.188 1.00 43.13 C ATOM 1094 C ILE A 69 -17.879 -14.676 -20.367 1.00 63.33 C ATOM 1095 O ILE A 69 -17.310 -13.605 -20.573 1.00 70.00 O ATOM 1096 CB ILE A 69 -16.403 -16.557 -19.649 1.00 5.11 C ATOM 1097 CG1 ILE A 69 -15.919 -17.399 -18.466 1.00 51.14 C ATOM 1098 CG2 ILE A 69 -15.239 -15.819 -20.292 1.00 64.44 C ATOM 1099 CD1 ILE A 69 -16.446 -18.818 -18.480 1.00 11.34 C ATOM 0 H ILE A 69 -18.526 -17.255 -18.532 1.00 2.31 H new ATOM 0 HA ILE A 69 -17.073 -14.936 -18.392 1.00 43.13 H new ATOM 0 HB ILE A 69 -16.839 -17.224 -20.392 1.00 5.11 H new ATOM 0 HG12 ILE A 69 -14.829 -17.424 -18.470 1.00 51.14 H new ATOM 0 HG13 ILE A 69 -16.223 -16.916 -17.538 1.00 51.14 H new ATOM 0 HG21 ILE A 69 -14.485 -16.538 -20.612 1.00 64.44 H new ATOM 0 HG22 ILE A 69 -15.596 -15.258 -21.156 1.00 64.44 H new ATOM 0 HG23 ILE A 69 -14.800 -15.131 -19.569 1.00 64.44 H new ATOM 0 HD11 ILE A 69 -16.063 -19.357 -17.613 1.00 11.34 H new ATOM 0 HD12 ILE A 69 -17.535 -18.802 -18.445 1.00 11.34 H new ATOM 0 HD13 ILE A 69 -16.120 -19.318 -19.392 1.00 11.34 H new ATOM 1111 N ALA A 70 -18.859 -15.135 -21.137 1.00 35.00 N ATOM 1112 CA ALA A 70 -19.336 -14.385 -22.293 1.00 32.20 C ATOM 1113 C ALA A 70 -19.705 -12.957 -21.908 1.00 51.33 C ATOM 1114 O ALA A 70 -19.408 -12.011 -22.638 1.00 3.22 O ATOM 1115 CB ALA A 70 -20.530 -15.089 -22.923 1.00 43.11 C ATOM 0 H ALA A 70 -19.338 -16.022 -20.982 1.00 35.00 H new ATOM 0 HA ALA A 70 -18.528 -14.339 -23.023 1.00 32.20 H new ATOM 0 HB1 ALA A 70 -20.876 -14.518 -23.785 1.00 43.11 H new ATOM 0 HB2 ALA A 70 -20.235 -16.088 -23.244 1.00 43.11 H new ATOM 0 HB3 ALA A 70 -21.335 -15.165 -22.192 1.00 43.11 H new ATOM 1121 N TYR A 71 -20.353 -12.808 -20.758 1.00 55.43 N ATOM 1122 CA TYR A 71 -20.765 -11.494 -20.278 1.00 52.51 C ATOM 1123 C TYR A 71 -19.552 -10.627 -19.954 1.00 72.54 C ATOM 1124 O TYR A 71 -19.425 -9.508 -20.448 1.00 43.14 O ATOM 1125 CB TYR A 71 -21.651 -11.635 -19.040 1.00 11.20 C ATOM 1126 CG TYR A 71 -22.104 -10.312 -18.465 1.00 3.34 C ATOM 1127 CD1 TYR A 71 -22.568 -9.296 -19.291 1.00 53.21 C ATOM 1128 CD2 TYR A 71 -22.066 -10.078 -17.096 1.00 14.33 C ATOM 1129 CE1 TYR A 71 -22.982 -8.085 -18.771 1.00 14.13 C ATOM 1130 CE2 TYR A 71 -22.480 -8.871 -16.567 1.00 51.42 C ATOM 1131 CZ TYR A 71 -22.936 -7.877 -17.408 1.00 72.41 C ATOM 1132 OH TYR A 71 -23.349 -6.673 -16.885 1.00 64.42 O ATOM 0 H TYR A 71 -20.604 -13.580 -20.141 1.00 55.43 H new ATOM 0 HA TYR A 71 -21.334 -11.008 -21.070 1.00 52.51 H new ATOM 0 HB2 TYR A 71 -22.528 -12.229 -19.297 1.00 11.20 H new ATOM 0 HB3 TYR A 71 -21.106 -12.187 -18.274 1.00 11.20 H new ATOM 0 HD1 TYR A 71 -22.606 -9.456 -20.358 1.00 53.21 H new ATOM 0 HD2 TYR A 71 -21.707 -10.853 -16.435 1.00 14.33 H new ATOM 0 HE1 TYR A 71 -23.340 -7.306 -19.428 1.00 14.13 H new ATOM 0 HE2 TYR A 71 -22.447 -8.706 -15.500 1.00 51.42 H new ATOM 0 HH TYR A 71 -23.254 -6.690 -15.910 1.00 64.42 H new ATOM 1142 N ALA A 72 -18.662 -11.156 -19.121 1.00 24.13 N ATOM 1143 CA ALA A 72 -17.457 -10.433 -18.731 1.00 64.41 C ATOM 1144 C ALA A 72 -16.645 -10.021 -19.955 1.00 31.54 C ATOM 1145 O ALA A 72 -16.340 -8.844 -20.142 1.00 24.42 O ATOM 1146 CB ALA A 72 -16.611 -11.284 -17.795 1.00 11.50 C ATOM 0 H ALA A 72 -18.752 -12.082 -18.703 1.00 24.13 H new ATOM 0 HA ALA A 72 -17.759 -9.527 -18.206 1.00 64.41 H new ATOM 0 HB1 ALA A 72 -15.715 -10.732 -17.512 1.00 11.50 H new ATOM 0 HB2 ALA A 72 -17.187 -11.524 -16.901 1.00 11.50 H new ATOM 0 HB3 ALA A 72 -16.325 -12.206 -18.301 1.00 11.50 H new ATOM 1152 N VAL A 73 -16.296 -10.999 -20.784 1.00 75.34 N ATOM 1153 CA VAL A 73 -15.519 -10.738 -21.990 1.00 31.34 C ATOM 1154 C VAL A 73 -16.161 -9.641 -22.831 1.00 71.30 C ATOM 1155 O VAL A 73 -15.470 -8.875 -23.503 1.00 21.35 O ATOM 1156 CB VAL A 73 -15.372 -12.008 -22.850 1.00 33.23 C ATOM 1157 CG1 VAL A 73 -14.586 -11.709 -24.116 1.00 4.42 C ATOM 1158 CG2 VAL A 73 -14.708 -13.119 -22.049 1.00 44.43 C ATOM 0 H VAL A 73 -16.539 -11.980 -20.643 1.00 75.34 H new ATOM 0 HA VAL A 73 -14.531 -10.412 -21.665 1.00 31.34 H new ATOM 0 HB VAL A 73 -16.367 -12.345 -23.141 1.00 33.23 H new ATOM 0 HG11 VAL A 73 -14.493 -12.618 -24.710 1.00 4.42 H new ATOM 0 HG12 VAL A 73 -15.107 -10.948 -24.697 1.00 4.42 H new ATOM 0 HG13 VAL A 73 -13.593 -11.346 -23.851 1.00 4.42 H new ATOM 0 HG21 VAL A 73 -14.612 -14.009 -22.671 1.00 44.43 H new ATOM 0 HG22 VAL A 73 -13.719 -12.794 -21.726 1.00 44.43 H new ATOM 0 HG23 VAL A 73 -15.317 -13.351 -21.175 1.00 44.43 H new ATOM 1168 N ALA A 74 -17.488 -9.570 -22.787 1.00 45.34 N ATOM 1169 CA ALA A 74 -18.223 -8.563 -23.544 1.00 32.55 C ATOM 1170 C ALA A 74 -17.677 -7.166 -23.274 1.00 5.02 C ATOM 1171 O ALA A 74 -17.675 -6.308 -24.157 1.00 72.22 O ATOM 1172 CB ALA A 74 -19.705 -8.627 -23.204 1.00 32.24 C ATOM 0 H ALA A 74 -18.075 -10.197 -22.236 1.00 45.34 H new ATOM 0 HA ALA A 74 -18.094 -8.776 -24.605 1.00 32.55 H new ATOM 0 HB1 ALA A 74 -20.242 -7.870 -23.776 1.00 32.24 H new ATOM 0 HB2 ALA A 74 -20.093 -9.614 -23.454 1.00 32.24 H new ATOM 0 HB3 ALA A 74 -19.842 -8.442 -22.139 1.00 32.24 H new ATOM 1178 N HIS A 75 -17.213 -6.942 -22.049 1.00 23.53 N ATOM 1179 CA HIS A 75 -16.663 -5.648 -21.663 1.00 1.13 C ATOM 1180 C HIS A 75 -15.238 -5.797 -21.140 1.00 3.04 C ATOM 1181 O HIS A 75 -14.758 -4.966 -20.367 1.00 21.30 O ATOM 1182 CB HIS A 75 -17.543 -4.993 -20.598 1.00 35.04 C ATOM 1183 CG HIS A 75 -18.791 -4.375 -21.150 1.00 14.22 C ATOM 1184 ND1 HIS A 75 -19.728 -5.085 -21.871 1.00 44.12 N ATOM 1185 CD2 HIS A 75 -19.256 -3.105 -21.080 1.00 63.05 C ATOM 1186 CE1 HIS A 75 -20.713 -4.278 -22.223 1.00 70.14 C ATOM 1187 NE2 HIS A 75 -20.451 -3.070 -21.755 1.00 74.44 N ATOM 0 H HIS A 75 -17.207 -7.641 -21.306 1.00 23.53 H new ATOM 0 HA HIS A 75 -16.642 -5.012 -22.548 1.00 1.13 H new ATOM 0 HB2 HIS A 75 -17.816 -5.741 -19.854 1.00 35.04 H new ATOM 0 HB3 HIS A 75 -16.965 -4.226 -20.082 1.00 35.04 H new ATOM 0 HD2 HIS A 75 -18.776 -2.274 -20.585 1.00 63.05 H new ATOM 0 HE1 HIS A 75 -21.585 -4.558 -22.796 1.00 70.14 H new ATOM 0 HE2 HIS A 75 -21.040 -2.246 -21.876 1.00 74.44 H new ATOM 1195 N LYS A 76 -14.565 -6.860 -21.566 1.00 21.45 N ATOM 1196 CA LYS A 76 -13.194 -7.119 -21.142 1.00 1.34 C ATOM 1197 C LYS A 76 -13.078 -7.077 -19.622 1.00 22.34 C ATOM 1198 O LYS A 76 -12.058 -6.650 -19.079 1.00 74.51 O ATOM 1199 CB LYS A 76 -12.244 -6.094 -21.764 1.00 44.22 C ATOM 1200 CG LYS A 76 -12.145 -6.197 -23.277 1.00 3.12 C ATOM 1201 CD LYS A 76 -11.784 -4.861 -23.904 1.00 64.13 C ATOM 1202 CE LYS A 76 -13.010 -3.982 -24.089 1.00 54.34 C ATOM 1203 NZ LYS A 76 -12.662 -2.660 -24.681 1.00 60.42 N ATOM 0 H LYS A 76 -14.947 -7.557 -22.205 1.00 21.45 H new ATOM 0 HA LYS A 76 -12.917 -8.116 -21.483 1.00 1.34 H new ATOM 0 HB2 LYS A 76 -12.579 -5.092 -21.497 1.00 44.22 H new ATOM 0 HB3 LYS A 76 -11.251 -6.223 -21.333 1.00 44.22 H new ATOM 0 HG2 LYS A 76 -11.393 -6.940 -23.544 1.00 3.12 H new ATOM 0 HG3 LYS A 76 -13.095 -6.545 -23.682 1.00 3.12 H new ATOM 0 HD2 LYS A 76 -11.058 -4.347 -23.274 1.00 64.13 H new ATOM 0 HD3 LYS A 76 -11.306 -5.028 -24.869 1.00 64.13 H new ATOM 0 HE2 LYS A 76 -13.727 -4.491 -24.733 1.00 54.34 H new ATOM 0 HE3 LYS A 76 -13.497 -3.831 -23.126 1.00 54.34 H new ATOM 0 HZ1 LYS A 76 -13.525 -2.091 -24.791 1.00 60.42 H new ATOM 0 HZ2 LYS A 76 -11.997 -2.163 -24.054 1.00 60.42 H new ATOM 0 HZ3 LYS A 76 -12.220 -2.802 -25.612 1.00 60.42 H new ATOM 1217 N ILE A 77 -14.127 -7.525 -18.940 1.00 24.21 N ATOM 1218 CA ILE A 77 -14.140 -7.541 -17.482 1.00 52.20 C ATOM 1219 C ILE A 77 -13.361 -8.734 -16.938 1.00 74.44 C ATOM 1220 O ILE A 77 -13.439 -9.837 -17.479 1.00 31.41 O ATOM 1221 CB ILE A 77 -15.578 -7.587 -16.933 1.00 23.24 C ATOM 1222 CG1 ILE A 77 -16.393 -6.411 -17.476 1.00 60.41 C ATOM 1223 CG2 ILE A 77 -15.564 -7.571 -15.411 1.00 60.11 C ATOM 1224 CD1 ILE A 77 -17.857 -6.467 -17.102 1.00 34.23 C ATOM 0 H ILE A 77 -14.979 -7.882 -19.373 1.00 24.21 H new ATOM 0 HA ILE A 77 -13.663 -6.618 -17.152 1.00 52.20 H new ATOM 0 HB ILE A 77 -16.048 -8.513 -17.263 1.00 23.24 H new ATOM 0 HG12 ILE A 77 -15.966 -5.480 -17.102 1.00 60.41 H new ATOM 0 HG13 ILE A 77 -16.304 -6.389 -18.562 1.00 60.41 H new ATOM 0 HG21 ILE A 77 -16.587 -7.604 -15.037 1.00 60.11 H new ATOM 0 HG22 ILE A 77 -15.015 -8.438 -15.043 1.00 60.11 H new ATOM 0 HG23 ILE A 77 -15.079 -6.660 -15.061 1.00 60.11 H new ATOM 0 HD11 ILE A 77 -18.373 -5.603 -17.520 1.00 34.23 H new ATOM 0 HD12 ILE A 77 -18.299 -7.381 -17.499 1.00 34.23 H new ATOM 0 HD13 ILE A 77 -17.956 -6.458 -16.017 1.00 34.23 H new ATOM 1236 N ASP A 78 -12.612 -8.506 -15.865 1.00 12.51 N ATOM 1237 CA ASP A 78 -11.821 -9.562 -15.246 1.00 61.02 C ATOM 1238 C ASP A 78 -12.719 -10.557 -14.517 1.00 71.20 C ATOM 1239 O ASP A 78 -13.222 -10.273 -13.430 1.00 33.34 O ATOM 1240 CB ASP A 78 -10.805 -8.963 -14.271 1.00 34.44 C ATOM 1241 CG ASP A 78 -9.764 -8.111 -14.970 1.00 32.42 C ATOM 1242 OD1 ASP A 78 -9.767 -8.077 -16.219 1.00 13.13 O ATOM 1243 OD2 ASP A 78 -8.948 -7.480 -14.269 1.00 4.41 O ATOM 0 H ASP A 78 -12.536 -7.598 -15.406 1.00 12.51 H new ATOM 0 HA ASP A 78 -11.287 -10.092 -16.035 1.00 61.02 H new ATOM 0 HB2 ASP A 78 -11.329 -8.357 -13.532 1.00 34.44 H new ATOM 0 HB3 ASP A 78 -10.308 -9.768 -13.729 1.00 34.44 H new ATOM 1248 N TYR A 79 -12.916 -11.722 -15.123 1.00 1.12 N ATOM 1249 CA TYR A 79 -13.757 -12.757 -14.534 1.00 71.31 C ATOM 1250 C TYR A 79 -12.908 -13.826 -13.852 1.00 65.01 C ATOM 1251 O TYR A 79 -11.926 -14.311 -14.416 1.00 41.12 O ATOM 1252 CB TYR A 79 -14.639 -13.399 -15.606 1.00 22.51 C ATOM 1253 CG TYR A 79 -13.858 -13.999 -16.753 1.00 50.33 C ATOM 1254 CD1 TYR A 79 -13.423 -15.317 -16.712 1.00 25.44 C ATOM 1255 CD2 TYR A 79 -13.556 -13.245 -17.882 1.00 21.11 C ATOM 1256 CE1 TYR A 79 -12.709 -15.867 -17.757 1.00 62.40 C ATOM 1257 CE2 TYR A 79 -12.843 -13.788 -18.933 1.00 55.44 C ATOM 1258 CZ TYR A 79 -12.422 -15.100 -18.866 1.00 40.23 C ATOM 1259 OH TYR A 79 -11.712 -15.645 -19.912 1.00 25.41 O ATOM 0 H TYR A 79 -12.505 -11.974 -16.022 1.00 1.12 H new ATOM 0 HA TYR A 79 -14.393 -12.288 -13.783 1.00 71.31 H new ATOM 0 HB2 TYR A 79 -15.248 -14.177 -15.146 1.00 22.51 H new ATOM 0 HB3 TYR A 79 -15.325 -12.648 -15.998 1.00 22.51 H new ATOM 0 HD1 TYR A 79 -13.648 -15.923 -15.847 1.00 25.44 H new ATOM 0 HD2 TYR A 79 -13.885 -12.218 -17.938 1.00 21.11 H new ATOM 0 HE1 TYR A 79 -12.377 -16.893 -17.706 1.00 62.40 H new ATOM 0 HE2 TYR A 79 -12.616 -13.189 -19.802 1.00 55.44 H new ATOM 0 HH TYR A 79 -11.596 -14.972 -20.615 1.00 25.41 H new ATOM 1269 N THR A 80 -13.293 -14.189 -12.632 1.00 24.40 N ATOM 1270 CA THR A 80 -12.568 -15.199 -11.871 1.00 63.24 C ATOM 1271 C THR A 80 -13.368 -16.492 -11.771 1.00 33.34 C ATOM 1272 O THR A 80 -14.554 -16.476 -11.438 1.00 11.43 O ATOM 1273 CB THR A 80 -12.236 -14.702 -10.451 1.00 34.31 C ATOM 1274 OG1 THR A 80 -11.542 -15.722 -9.725 1.00 63.22 O ATOM 1275 CG2 THR A 80 -13.503 -14.315 -9.705 1.00 0.14 C ATOM 0 H THR A 80 -14.103 -13.798 -12.150 1.00 24.40 H new ATOM 0 HA THR A 80 -11.639 -15.391 -12.407 1.00 63.24 H new ATOM 0 HB THR A 80 -11.600 -13.821 -10.537 1.00 34.31 H new ATOM 0 HG1 THR A 80 -11.333 -15.398 -8.824 1.00 63.22 H new ATOM 0 HG21 THR A 80 -13.244 -13.967 -8.705 1.00 0.14 H new ATOM 0 HG22 THR A 80 -14.014 -13.518 -10.245 1.00 0.14 H new ATOM 0 HG23 THR A 80 -14.160 -15.182 -9.629 1.00 0.14 H new ATOM 1283 N VAL A 81 -12.715 -17.612 -12.061 1.00 22.32 N ATOM 1284 CA VAL A 81 -13.366 -18.915 -12.001 1.00 23.41 C ATOM 1285 C VAL A 81 -13.127 -19.588 -10.653 1.00 52.34 C ATOM 1286 O VAL A 81 -11.985 -19.818 -10.256 1.00 71.41 O ATOM 1287 CB VAL A 81 -12.865 -19.845 -13.122 1.00 72.15 C ATOM 1288 CG1 VAL A 81 -13.338 -19.348 -14.480 1.00 4.54 C ATOM 1289 CG2 VAL A 81 -11.348 -19.956 -13.084 1.00 71.11 C ATOM 0 H VAL A 81 -11.734 -17.643 -12.340 1.00 22.32 H new ATOM 0 HA VAL A 81 -14.434 -18.741 -12.133 1.00 23.41 H new ATOM 0 HB VAL A 81 -13.283 -20.838 -12.960 1.00 72.15 H new ATOM 0 HG11 VAL A 81 -12.974 -20.018 -15.259 1.00 4.54 H new ATOM 0 HG12 VAL A 81 -14.428 -19.326 -14.500 1.00 4.54 H new ATOM 0 HG13 VAL A 81 -12.951 -18.344 -14.655 1.00 4.54 H new ATOM 0 HG21 VAL A 81 -11.011 -20.617 -13.883 1.00 71.11 H new ATOM 0 HG22 VAL A 81 -10.907 -18.968 -13.220 1.00 71.11 H new ATOM 0 HG23 VAL A 81 -11.037 -20.362 -12.122 1.00 71.11 H new ATOM 1299 N LEU A 82 -14.213 -19.901 -9.955 1.00 52.30 N ATOM 1300 CA LEU A 82 -14.123 -20.549 -8.651 1.00 30.33 C ATOM 1301 C LEU A 82 -14.575 -22.003 -8.732 1.00 51.05 C ATOM 1302 O LEU A 82 -15.707 -22.290 -9.121 1.00 55.40 O ATOM 1303 CB LEU A 82 -14.972 -19.796 -7.626 1.00 12.22 C ATOM 1304 CG LEU A 82 -14.497 -18.388 -7.264 1.00 65.00 C ATOM 1305 CD1 LEU A 82 -15.574 -17.642 -6.492 1.00 72.03 C ATOM 1306 CD2 LEU A 82 -13.208 -18.452 -6.457 1.00 63.41 C ATOM 0 H LEU A 82 -15.166 -19.717 -10.270 1.00 52.30 H new ATOM 0 HA LEU A 82 -13.080 -20.530 -8.335 1.00 30.33 H new ATOM 0 HB2 LEU A 82 -15.990 -19.727 -8.008 1.00 12.22 H new ATOM 0 HB3 LEU A 82 -15.014 -20.389 -6.713 1.00 12.22 H new ATOM 0 HG LEU A 82 -14.299 -17.844 -8.187 1.00 65.00 H new ATOM 0 HD11 LEU A 82 -15.217 -16.642 -6.244 1.00 72.03 H new ATOM 0 HD12 LEU A 82 -16.473 -17.565 -7.104 1.00 72.03 H new ATOM 0 HD13 LEU A 82 -15.805 -18.183 -5.575 1.00 72.03 H new ATOM 0 HD21 LEU A 82 -12.884 -17.441 -6.208 1.00 63.41 H new ATOM 0 HD22 LEU A 82 -13.381 -19.014 -5.539 1.00 63.41 H new ATOM 0 HD23 LEU A 82 -12.435 -18.946 -7.045 1.00 63.41 H new ATOM 1318 N GLN A 83 -13.684 -22.916 -8.363 1.00 23.22 N ATOM 1319 CA GLN A 83 -13.992 -24.341 -8.393 1.00 70.14 C ATOM 1320 C GLN A 83 -14.185 -24.887 -6.982 1.00 22.40 C ATOM 1321 O GLN A 83 -13.756 -24.273 -6.004 1.00 40.22 O ATOM 1322 CB GLN A 83 -12.878 -25.111 -9.102 1.00 65.13 C ATOM 1323 CG GLN A 83 -12.619 -24.636 -10.524 1.00 21.33 C ATOM 1324 CD GLN A 83 -11.840 -25.645 -11.344 1.00 61.30 C ATOM 1325 OE1 GLN A 83 -11.163 -26.517 -10.797 1.00 74.41 O ATOM 1326 NE2 GLN A 83 -11.932 -25.534 -12.663 1.00 53.44 N ATOM 0 H GLN A 83 -12.742 -22.695 -8.039 1.00 23.22 H new ATOM 0 HA GLN A 83 -14.923 -24.473 -8.944 1.00 70.14 H new ATOM 0 HB2 GLN A 83 -11.959 -25.018 -8.524 1.00 65.13 H new ATOM 0 HB3 GLN A 83 -13.136 -26.170 -9.123 1.00 65.13 H new ATOM 0 HG2 GLN A 83 -13.571 -24.433 -11.014 1.00 21.33 H new ATOM 0 HG3 GLN A 83 -12.069 -23.696 -10.494 1.00 21.33 H new ATOM 0 HE21 GLN A 83 -12.504 -24.797 -13.074 1.00 53.44 H new ATOM 0 HE22 GLN A 83 -11.430 -26.186 -13.266 1.00 53.44 H new ATOM 1335 N ASP A 84 -14.832 -26.043 -6.883 1.00 63.44 N ATOM 1336 CA ASP A 84 -15.080 -26.673 -5.591 1.00 43.41 C ATOM 1337 C ASP A 84 -13.769 -27.045 -4.906 1.00 44.32 C ATOM 1338 O ASP A 84 -12.964 -27.798 -5.453 1.00 1.11 O ATOM 1339 CB ASP A 84 -15.950 -27.918 -5.766 1.00 20.12 C ATOM 1340 CG ASP A 84 -17.418 -27.580 -5.927 1.00 35.05 C ATOM 1341 OD1 ASP A 84 -17.729 -26.614 -6.653 1.00 45.43 O ATOM 1342 OD2 ASP A 84 -18.259 -28.282 -5.325 1.00 1.23 O ATOM 0 H ASP A 84 -15.194 -26.563 -7.682 1.00 63.44 H new ATOM 0 HA ASP A 84 -15.607 -25.957 -4.961 1.00 43.41 H new ATOM 0 HB2 ASP A 84 -15.611 -28.475 -6.639 1.00 20.12 H new ATOM 0 HB3 ASP A 84 -15.823 -28.571 -4.902 1.00 20.12 H new ATOM 1347 N ASN A 85 -13.560 -26.509 -3.708 1.00 24.10 N ATOM 1348 CA ASN A 85 -12.345 -26.784 -2.950 1.00 5.13 C ATOM 1349 C ASN A 85 -12.679 -27.354 -1.575 1.00 61.40 C ATOM 1350 O ASN A 85 -12.553 -26.685 -0.549 1.00 51.31 O ATOM 1351 CB ASN A 85 -11.515 -25.508 -2.795 1.00 54.13 C ATOM 1352 CG ASN A 85 -10.092 -25.793 -2.355 1.00 43.32 C ATOM 1353 OD1 ASN A 85 -9.840 -26.099 -1.190 1.00 30.12 O ATOM 1354 ND2 ASN A 85 -9.153 -25.692 -3.289 1.00 30.11 N ATOM 0 H ASN A 85 -14.216 -25.882 -3.242 1.00 24.10 H new ATOM 0 HA ASN A 85 -11.764 -27.524 -3.501 1.00 5.13 H new ATOM 0 HB2 ASN A 85 -11.498 -24.971 -3.744 1.00 54.13 H new ATOM 0 HB3 ASN A 85 -11.993 -24.853 -2.067 1.00 54.13 H new ATOM 0 HD21 ASN A 85 -8.177 -25.871 -3.053 1.00 30.11 H new ATOM 0 HD22 ASN A 85 -9.408 -25.435 -4.243 1.00 30.11 H new ATOM 1361 N PRO A 86 -13.115 -28.623 -1.551 1.00 33.15 N ATOM 1362 CA PRO A 86 -13.476 -29.313 -0.309 1.00 32.45 C ATOM 1363 C PRO A 86 -12.261 -29.611 0.562 1.00 65.12 C ATOM 1364 O PRO A 86 -11.128 -29.301 0.192 1.00 61.23 O ATOM 1365 CB PRO A 86 -14.116 -30.614 -0.799 1.00 64.12 C ATOM 1366 CG PRO A 86 -13.522 -30.845 -2.146 1.00 25.43 C ATOM 1367 CD PRO A 86 -13.290 -29.481 -2.735 1.00 11.13 C ATOM 0 HA PRO A 86 -14.133 -28.709 0.317 1.00 32.45 H new ATOM 0 HB2 PRO A 86 -13.898 -31.441 -0.123 1.00 64.12 H new ATOM 0 HB3 PRO A 86 -15.201 -30.525 -0.855 1.00 64.12 H new ATOM 0 HG2 PRO A 86 -12.588 -31.402 -2.070 1.00 25.43 H new ATOM 0 HG3 PRO A 86 -14.193 -31.432 -2.773 1.00 25.43 H new ATOM 0 HD2 PRO A 86 -12.409 -29.465 -3.377 1.00 11.13 H new ATOM 0 HD3 PRO A 86 -14.134 -29.158 -3.344 1.00 11.13 H new ATOM 1375 N ARG A 87 -12.502 -30.215 1.721 1.00 33.52 N ATOM 1376 CA ARG A 87 -11.427 -30.555 2.645 1.00 1.01 C ATOM 1377 C ARG A 87 -10.785 -31.887 2.266 1.00 11.15 C ATOM 1378 O ARG A 87 -11.459 -32.915 2.192 1.00 21.45 O ATOM 1379 CB ARG A 87 -11.959 -30.623 4.078 1.00 53.43 C ATOM 1380 CG ARG A 87 -12.613 -29.333 4.546 1.00 71.02 C ATOM 1381 CD ARG A 87 -11.621 -28.181 4.566 1.00 53.10 C ATOM 1382 NE ARG A 87 -12.177 -26.990 5.203 1.00 32.22 N ATOM 1383 CZ ARG A 87 -12.406 -26.894 6.509 1.00 32.51 C ATOM 1384 NH1 ARG A 87 -12.127 -27.913 7.310 1.00 24.11 N ATOM 1385 NH2 ARG A 87 -12.915 -25.778 7.014 1.00 3.15 N ATOM 0 H ARG A 87 -13.433 -30.479 2.043 1.00 33.52 H new ATOM 0 HA ARG A 87 -10.669 -29.775 2.583 1.00 1.01 H new ATOM 0 HB2 ARG A 87 -12.683 -31.435 4.150 1.00 53.43 H new ATOM 0 HB3 ARG A 87 -11.137 -30.869 4.751 1.00 53.43 H new ATOM 0 HG2 ARG A 87 -13.446 -29.086 3.887 1.00 71.02 H new ATOM 0 HG3 ARG A 87 -13.027 -29.475 5.544 1.00 71.02 H new ATOM 0 HD2 ARG A 87 -10.720 -28.488 5.096 1.00 53.10 H new ATOM 0 HD3 ARG A 87 -11.324 -27.941 3.545 1.00 53.10 H new ATOM 0 HE ARG A 87 -12.402 -26.188 4.614 1.00 32.22 H new ATOM 0 HH11 ARG A 87 -11.736 -28.773 6.924 1.00 24.11 H new ATOM 0 HH12 ARG A 87 -12.303 -27.837 8.312 1.00 24.11 H new ATOM 0 HH21 ARG A 87 -13.131 -24.993 6.400 1.00 3.15 H new ATOM 0 HH22 ARG A 87 -13.090 -25.705 8.016 1.00 3.15 H new ATOM 1399 N THR A 88 -9.479 -31.861 2.027 1.00 65.34 N ATOM 1400 CA THR A 88 -8.745 -33.064 1.654 1.00 33.14 C ATOM 1401 C THR A 88 -7.598 -33.331 2.622 1.00 70.24 C ATOM 1402 O THR A 88 -6.665 -32.535 2.728 1.00 52.23 O ATOM 1403 CB THR A 88 -8.182 -32.959 0.224 1.00 25.20 C ATOM 1404 OG1 THR A 88 -9.131 -32.308 -0.629 1.00 64.13 O ATOM 1405 CG2 THR A 88 -7.854 -34.337 -0.331 1.00 41.21 C ATOM 0 H THR A 88 -8.906 -31.019 2.085 1.00 65.34 H new ATOM 0 HA THR A 88 -9.453 -33.892 1.697 1.00 33.14 H new ATOM 0 HB THR A 88 -7.264 -32.372 0.260 1.00 25.20 H new ATOM 0 HG1 THR A 88 -8.765 -32.243 -1.536 1.00 64.13 H new ATOM 0 HG21 THR A 88 -7.458 -34.237 -1.342 1.00 41.21 H new ATOM 0 HG22 THR A 88 -7.110 -34.818 0.304 1.00 41.21 H new ATOM 0 HG23 THR A 88 -8.759 -34.945 -0.354 1.00 41.21 H new ATOM 1413 N ILE A 89 -7.673 -34.456 3.325 1.00 10.11 N ATOM 1414 CA ILE A 89 -6.638 -34.828 4.282 1.00 74.11 C ATOM 1415 C ILE A 89 -5.259 -34.817 3.633 1.00 43.31 C ATOM 1416 O ILE A 89 -5.098 -35.228 2.483 1.00 14.33 O ATOM 1417 CB ILE A 89 -6.901 -36.223 4.881 1.00 52.13 C ATOM 1418 CG1 ILE A 89 -6.878 -37.286 3.781 1.00 70.20 C ATOM 1419 CG2 ILE A 89 -8.232 -36.242 5.616 1.00 13.31 C ATOM 1420 CD1 ILE A 89 -7.052 -38.696 4.301 1.00 51.22 C ATOM 0 H ILE A 89 -8.439 -35.125 3.250 1.00 10.11 H new ATOM 0 HA ILE A 89 -6.666 -34.087 5.081 1.00 74.11 H new ATOM 0 HB ILE A 89 -6.111 -36.450 5.597 1.00 52.13 H new ATOM 0 HG12 ILE A 89 -7.670 -37.072 3.063 1.00 70.20 H new ATOM 0 HG13 ILE A 89 -5.933 -37.220 3.242 1.00 70.20 H new ATOM 0 HG21 ILE A 89 -8.403 -37.234 6.033 1.00 13.31 H new ATOM 0 HG22 ILE A 89 -8.213 -35.508 6.422 1.00 13.31 H new ATOM 0 HG23 ILE A 89 -9.035 -35.997 4.921 1.00 13.31 H new ATOM 0 HD11 ILE A 89 -7.026 -39.397 3.467 1.00 51.22 H new ATOM 0 HD12 ILE A 89 -6.246 -38.929 4.997 1.00 51.22 H new ATOM 0 HD13 ILE A 89 -8.010 -38.779 4.814 1.00 51.22 H new ATOM 1432 N VAL A 90 -4.264 -34.346 4.378 1.00 22.13 N ATOM 1433 CA VAL A 90 -2.896 -34.284 3.877 1.00 10.43 C ATOM 1434 C VAL A 90 -1.918 -34.894 4.874 1.00 24.01 C ATOM 1435 O VAL A 90 -1.216 -34.190 5.602 1.00 72.51 O ATOM 1436 CB VAL A 90 -2.473 -32.833 3.579 1.00 22.35 C ATOM 1437 CG1 VAL A 90 -2.714 -31.947 4.792 1.00 4.01 C ATOM 1438 CG2 VAL A 90 -1.013 -32.782 3.154 1.00 55.53 C ATOM 0 H VAL A 90 -4.380 -34.002 5.331 1.00 22.13 H new ATOM 0 HA VAL A 90 -2.871 -34.859 2.951 1.00 10.43 H new ATOM 0 HB VAL A 90 -3.082 -32.456 2.757 1.00 22.35 H new ATOM 0 HG11 VAL A 90 -2.409 -30.926 4.563 1.00 4.01 H new ATOM 0 HG12 VAL A 90 -3.773 -31.961 5.048 1.00 4.01 H new ATOM 0 HG13 VAL A 90 -2.132 -32.319 5.635 1.00 4.01 H new ATOM 0 HG21 VAL A 90 -0.730 -31.750 2.947 1.00 55.53 H new ATOM 0 HG22 VAL A 90 -0.387 -33.176 3.954 1.00 55.53 H new ATOM 0 HG23 VAL A 90 -0.874 -33.383 2.255 1.00 55.53 H new ATOM 1448 N PRO A 91 -1.867 -36.233 4.910 1.00 63.15 N ATOM 1449 CA PRO A 91 -0.976 -36.968 5.813 1.00 33.10 C ATOM 1450 C PRO A 91 0.491 -36.825 5.424 1.00 64.40 C ATOM 1451 O PRO A 91 0.821 -36.686 4.246 1.00 63.00 O ATOM 1452 CB PRO A 91 -1.432 -38.421 5.656 1.00 2.11 C ATOM 1453 CG PRO A 91 -2.047 -38.481 4.301 1.00 43.10 C ATOM 1454 CD PRO A 91 -2.674 -37.135 4.071 1.00 54.44 C ATOM 0 HA PRO A 91 -1.036 -36.596 6.836 1.00 33.10 H new ATOM 0 HB2 PRO A 91 -0.592 -39.111 5.740 1.00 2.11 H new ATOM 0 HB3 PRO A 91 -2.150 -38.696 6.429 1.00 2.11 H new ATOM 0 HG2 PRO A 91 -1.296 -38.697 3.541 1.00 43.10 H new ATOM 0 HG3 PRO A 91 -2.793 -39.274 4.246 1.00 43.10 H new ATOM 0 HD2 PRO A 91 -2.635 -36.848 3.020 1.00 54.44 H new ATOM 0 HD3 PRO A 91 -3.723 -37.125 4.365 1.00 54.44 H new ATOM 1462 N LYS A 92 1.370 -36.861 6.420 1.00 14.42 N ATOM 1463 CA LYS A 92 2.802 -36.737 6.182 1.00 25.14 C ATOM 1464 C LYS A 92 3.396 -38.069 5.735 1.00 24.10 C ATOM 1465 O LYS A 92 3.191 -39.099 6.377 1.00 51.22 O ATOM 1466 CB LYS A 92 3.510 -36.252 7.450 1.00 42.41 C ATOM 1467 CG LYS A 92 3.385 -37.209 8.622 1.00 71.21 C ATOM 1468 CD LYS A 92 3.442 -36.474 9.951 1.00 74.35 C ATOM 1469 CE LYS A 92 4.877 -36.246 10.400 1.00 13.22 C ATOM 1470 NZ LYS A 92 4.944 -35.427 11.643 1.00 64.14 N ATOM 0 H LYS A 92 1.114 -36.975 7.401 1.00 14.42 H new ATOM 0 HA LYS A 92 2.951 -36.007 5.387 1.00 25.14 H new ATOM 0 HB2 LYS A 92 4.566 -36.098 7.229 1.00 42.41 H new ATOM 0 HB3 LYS A 92 3.099 -35.284 7.737 1.00 42.41 H new ATOM 0 HG2 LYS A 92 2.445 -37.756 8.548 1.00 71.21 H new ATOM 0 HG3 LYS A 92 4.187 -37.946 8.578 1.00 71.21 H new ATOM 0 HD2 LYS A 92 2.931 -35.515 9.860 1.00 74.35 H new ATOM 0 HD3 LYS A 92 2.909 -37.048 10.709 1.00 74.35 H new ATOM 0 HE2 LYS A 92 5.361 -37.207 10.571 1.00 13.22 H new ATOM 0 HE3 LYS A 92 5.432 -35.747 9.605 1.00 13.22 H new ATOM 0 HZ1 LYS A 92 5.938 -35.293 11.917 1.00 64.14 H new ATOM 0 HZ2 LYS A 92 4.504 -34.500 11.472 1.00 64.14 H new ATOM 0 HZ3 LYS A 92 4.436 -35.915 12.408 1.00 64.14 H new ATOM 1484 N SER A 93 4.136 -38.040 4.630 1.00 33.15 N ATOM 1485 CA SER A 93 4.758 -39.246 4.095 1.00 14.45 C ATOM 1486 C SER A 93 5.726 -38.903 2.967 1.00 34.11 C ATOM 1487 O SER A 93 5.453 -38.029 2.144 1.00 11.44 O ATOM 1488 CB SER A 93 3.688 -40.215 3.588 1.00 24.15 C ATOM 1489 OG SER A 93 2.579 -39.515 3.051 1.00 23.51 O ATOM 0 H SER A 93 4.319 -37.195 4.089 1.00 33.15 H new ATOM 0 HA SER A 93 5.319 -39.723 4.899 1.00 14.45 H new ATOM 0 HB2 SER A 93 4.115 -40.866 2.825 1.00 24.15 H new ATOM 0 HB3 SER A 93 3.357 -40.856 4.405 1.00 24.15 H new ATOM 0 HG SER A 93 1.910 -40.157 2.732 1.00 23.51 H new ATOM 1495 N TYR A 94 6.858 -39.597 2.935 1.00 20.44 N ATOM 1496 CA TYR A 94 7.868 -39.366 1.910 1.00 11.40 C ATOM 1497 C TYR A 94 8.986 -40.400 2.003 1.00 33.32 C ATOM 1498 O TYR A 94 9.520 -40.657 3.082 1.00 43.13 O ATOM 1499 CB TYR A 94 8.449 -37.957 2.046 1.00 31.24 C ATOM 1500 CG TYR A 94 8.923 -37.630 3.444 1.00 60.13 C ATOM 1501 CD1 TYR A 94 8.046 -37.122 4.395 1.00 4.22 C ATOM 1502 CD2 TYR A 94 10.248 -37.828 3.813 1.00 11.33 C ATOM 1503 CE1 TYR A 94 8.475 -36.821 5.673 1.00 22.34 C ATOM 1504 CE2 TYR A 94 10.685 -37.531 5.090 1.00 51.20 C ATOM 1505 CZ TYR A 94 9.795 -37.028 6.016 1.00 2.54 C ATOM 1506 OH TYR A 94 10.227 -36.729 7.287 1.00 23.34 O ATOM 0 H TYR A 94 7.099 -40.325 3.608 1.00 20.44 H new ATOM 0 HA TYR A 94 7.389 -39.463 0.936 1.00 11.40 H new ATOM 0 HB2 TYR A 94 9.284 -37.849 1.354 1.00 31.24 H new ATOM 0 HB3 TYR A 94 7.692 -37.231 1.749 1.00 31.24 H new ATOM 0 HD1 TYR A 94 7.012 -36.960 4.130 1.00 4.22 H new ATOM 0 HD2 TYR A 94 10.948 -38.220 3.090 1.00 11.33 H new ATOM 0 HE1 TYR A 94 7.781 -36.426 6.400 1.00 22.34 H new ATOM 0 HE2 TYR A 94 11.718 -37.692 5.361 1.00 51.20 H new ATOM 0 HH TYR A 94 11.182 -36.934 7.365 1.00 23.34 H new ATOM 1516 N ALA A 95 9.333 -40.989 0.864 1.00 64.51 N ATOM 1517 CA ALA A 95 10.389 -41.995 0.815 1.00 4.43 C ATOM 1518 C ALA A 95 11.764 -41.354 0.980 1.00 32.11 C ATOM 1519 O ALA A 95 12.304 -40.773 0.039 1.00 53.51 O ATOM 1520 CB ALA A 95 10.318 -42.770 -0.491 1.00 71.21 C ATOM 0 H ALA A 95 8.899 -40.788 -0.037 1.00 64.51 H new ATOM 0 HA ALA A 95 10.238 -42.687 1.643 1.00 4.43 H new ATOM 0 HB1 ALA A 95 11.111 -43.517 -0.514 1.00 71.21 H new ATOM 0 HB2 ALA A 95 9.350 -43.266 -0.568 1.00 71.21 H new ATOM 0 HB3 ALA A 95 10.441 -42.084 -1.329 1.00 71.21 H new ATOM 1526 N ASP A 96 12.323 -41.466 2.179 1.00 15.25 N ATOM 1527 CA ASP A 96 13.635 -40.898 2.467 1.00 11.11 C ATOM 1528 C ASP A 96 14.731 -41.663 1.731 1.00 70.04 C ATOM 1529 O ASP A 96 15.096 -42.772 2.121 1.00 42.11 O ATOM 1530 CB ASP A 96 13.905 -40.917 3.972 1.00 75.11 C ATOM 1531 CG ASP A 96 15.138 -40.122 4.350 1.00 44.51 C ATOM 1532 OD1 ASP A 96 15.695 -39.435 3.467 1.00 51.12 O ATOM 1533 OD2 ASP A 96 15.546 -40.183 5.528 1.00 1.22 O ATOM 0 H ASP A 96 11.888 -41.945 2.968 1.00 15.25 H new ATOM 0 HA ASP A 96 13.640 -39.865 2.119 1.00 11.11 H new ATOM 0 HB2 ASP A 96 13.040 -40.512 4.498 1.00 75.11 H new ATOM 0 HB3 ASP A 96 14.026 -41.948 4.303 1.00 75.11 H new ATOM 1538 N ASN A 97 15.251 -41.064 0.665 1.00 15.21 N ATOM 1539 CA ASN A 97 16.303 -41.690 -0.126 1.00 50.22 C ATOM 1540 C ASN A 97 17.507 -40.762 -0.261 1.00 62.32 C ATOM 1541 O ASN A 97 17.516 -39.857 -1.096 1.00 24.14 O ATOM 1542 CB ASN A 97 15.775 -42.062 -1.513 1.00 70.42 C ATOM 1543 CG ASN A 97 14.817 -43.237 -1.470 1.00 64.32 C ATOM 1544 OD1 ASN A 97 15.221 -44.373 -1.219 1.00 11.34 O ATOM 1545 ND2 ASN A 97 13.540 -42.969 -1.717 1.00 61.03 N ATOM 0 H ASN A 97 14.961 -40.146 0.329 1.00 15.21 H new ATOM 0 HA ASN A 97 16.620 -42.596 0.390 1.00 50.22 H new ATOM 0 HB2 ASN A 97 15.270 -41.200 -1.950 1.00 70.42 H new ATOM 0 HB3 ASN A 97 16.614 -42.304 -2.165 1.00 70.42 H new ATOM 0 HD21 ASN A 97 12.849 -43.720 -1.703 1.00 61.03 H new ATOM 0 HD22 ASN A 97 13.250 -42.013 -1.920 1.00 61.03 H new ATOM 1552 N PHE A 98 18.521 -40.995 0.565 1.00 3.41 N ATOM 1553 CA PHE A 98 19.731 -40.180 0.538 1.00 35.33 C ATOM 1554 C PHE A 98 20.932 -41.004 0.085 1.00 24.21 C ATOM 1555 O PHE A 98 21.048 -42.186 0.412 1.00 45.45 O ATOM 1556 CB PHE A 98 20.000 -39.584 1.922 1.00 42.10 C ATOM 1557 CG PHE A 98 20.092 -40.615 3.011 1.00 50.33 C ATOM 1558 CD1 PHE A 98 21.305 -41.208 3.320 1.00 24.43 C ATOM 1559 CD2 PHE A 98 18.965 -40.990 3.725 1.00 43.41 C ATOM 1560 CE1 PHE A 98 21.393 -42.156 4.322 1.00 73.54 C ATOM 1561 CE2 PHE A 98 19.047 -41.938 4.728 1.00 3.42 C ATOM 1562 CZ PHE A 98 20.262 -42.522 5.027 1.00 1.20 C ATOM 0 H PHE A 98 18.530 -41.741 1.261 1.00 3.41 H new ATOM 0 HA PHE A 98 19.578 -39.371 -0.176 1.00 35.33 H new ATOM 0 HB2 PHE A 98 20.930 -39.017 1.890 1.00 42.10 H new ATOM 0 HB3 PHE A 98 19.205 -38.879 2.166 1.00 42.10 H new ATOM 0 HD1 PHE A 98 22.192 -40.926 2.772 1.00 24.43 H new ATOM 0 HD2 PHE A 98 18.012 -40.537 3.495 1.00 43.41 H new ATOM 0 HE1 PHE A 98 22.345 -42.610 4.554 1.00 73.54 H new ATOM 0 HE2 PHE A 98 18.161 -42.222 5.277 1.00 3.42 H new ATOM 0 HZ PHE A 98 20.328 -43.263 5.810 1.00 1.20 H new ATOM 1572 N THR A 99 21.824 -40.372 -0.671 1.00 63.41 N ATOM 1573 CA THR A 99 23.017 -41.046 -1.171 1.00 15.00 C ATOM 1574 C THR A 99 24.233 -40.129 -1.112 1.00 11.33 C ATOM 1575 O THR A 99 24.169 -38.969 -1.523 1.00 24.44 O ATOM 1576 CB THR A 99 22.821 -41.529 -2.621 1.00 43.44 C ATOM 1577 OG1 THR A 99 21.728 -42.450 -2.689 1.00 55.40 O ATOM 1578 CG2 THR A 99 24.085 -42.195 -3.144 1.00 45.42 C ATOM 0 H THR A 99 21.743 -39.394 -0.951 1.00 63.41 H new ATOM 0 HA THR A 99 23.186 -41.909 -0.527 1.00 15.00 H new ATOM 0 HB THR A 99 22.602 -40.661 -3.243 1.00 43.44 H new ATOM 0 HG1 THR A 99 21.610 -42.750 -3.614 1.00 55.40 H new ATOM 0 HG21 THR A 99 23.923 -42.528 -4.169 1.00 45.42 H new ATOM 0 HG22 THR A 99 24.909 -41.482 -3.120 1.00 45.42 H new ATOM 0 HG23 THR A 99 24.330 -43.053 -2.518 1.00 45.42 H new ATOM 1586 N LYS A 100 25.340 -40.654 -0.598 1.00 34.11 N ATOM 1587 CA LYS A 100 26.572 -39.884 -0.486 1.00 71.34 C ATOM 1588 C LYS A 100 27.783 -40.806 -0.382 1.00 53.51 C ATOM 1589 O LYS A 100 27.675 -41.969 0.006 1.00 3.10 O ATOM 1590 CB LYS A 100 26.513 -38.963 0.734 1.00 1.44 C ATOM 1591 CG LYS A 100 25.912 -39.621 1.964 1.00 55.22 C ATOM 1592 CD LYS A 100 26.437 -38.994 3.245 1.00 63.33 C ATOM 1593 CE LYS A 100 25.575 -39.365 4.441 1.00 61.40 C ATOM 1594 NZ LYS A 100 25.848 -38.489 5.615 1.00 74.44 N ATOM 0 H LYS A 100 25.409 -41.611 -0.252 1.00 34.11 H new ATOM 0 HA LYS A 100 26.675 -39.278 -1.386 1.00 71.34 H new ATOM 0 HB2 LYS A 100 27.521 -38.622 0.970 1.00 1.44 H new ATOM 0 HB3 LYS A 100 25.928 -38.078 0.483 1.00 1.44 H new ATOM 0 HG2 LYS A 100 24.826 -39.531 1.932 1.00 55.22 H new ATOM 0 HG3 LYS A 100 26.144 -40.686 1.958 1.00 55.22 H new ATOM 0 HD2 LYS A 100 27.462 -39.322 3.418 1.00 63.33 H new ATOM 0 HD3 LYS A 100 26.463 -37.910 3.136 1.00 63.33 H new ATOM 0 HE2 LYS A 100 24.523 -39.289 4.168 1.00 61.40 H new ATOM 0 HE3 LYS A 100 25.759 -40.404 4.713 1.00 61.40 H new ATOM 0 HZ1 LYS A 100 25.241 -38.774 6.410 1.00 74.44 H new ATOM 0 HZ2 LYS A 100 26.846 -38.581 5.892 1.00 74.44 H new ATOM 0 HZ3 LYS A 100 25.648 -37.500 5.364 1.00 74.44 H new ATOM 1608 N PRO A 101 28.964 -40.276 -0.736 1.00 33.45 N ATOM 1609 CA PRO A 101 30.217 -41.035 -0.688 1.00 71.03 C ATOM 1610 C PRO A 101 30.664 -41.327 0.740 1.00 41.35 C ATOM 1611 O PRO A 101 30.013 -40.916 1.700 1.00 1.32 O ATOM 1612 CB PRO A 101 31.218 -40.109 -1.385 1.00 21.25 C ATOM 1613 CG PRO A 101 30.661 -38.740 -1.198 1.00 71.12 C ATOM 1614 CD PRO A 101 29.166 -38.897 -1.208 1.00 54.23 C ATOM 0 HA PRO A 101 30.120 -42.013 -1.159 1.00 71.03 H new ATOM 0 HB2 PRO A 101 32.211 -40.196 -0.944 1.00 21.25 H new ATOM 0 HB3 PRO A 101 31.316 -40.356 -2.442 1.00 21.25 H new ATOM 0 HG2 PRO A 101 31.002 -38.305 -0.258 1.00 71.12 H new ATOM 0 HG3 PRO A 101 30.989 -38.073 -1.995 1.00 71.12 H new ATOM 0 HD2 PRO A 101 28.682 -38.173 -0.553 1.00 54.23 H new ATOM 0 HD3 PRO A 101 28.753 -38.750 -2.206 1.00 54.23 H new ATOM 1622 N ARG A 102 31.780 -42.036 0.872 1.00 72.54 N ATOM 1623 CA ARG A 102 32.314 -42.383 2.183 1.00 32.34 C ATOM 1624 C ARG A 102 33.838 -42.451 2.149 1.00 14.14 C ATOM 1625 O ARG A 102 34.433 -42.765 1.118 1.00 12.22 O ATOM 1626 CB ARG A 102 31.743 -43.723 2.652 1.00 62.21 C ATOM 1627 CG ARG A 102 31.883 -43.956 4.148 1.00 44.00 C ATOM 1628 CD ARG A 102 30.943 -45.047 4.633 1.00 73.32 C ATOM 1629 NE ARG A 102 31.315 -46.361 4.112 1.00 5.43 N ATOM 1630 CZ ARG A 102 30.855 -47.505 4.607 1.00 44.42 C ATOM 1631 NH1 ARG A 102 30.010 -47.497 5.628 1.00 2.14 N ATOM 1632 NH2 ARG A 102 31.240 -48.659 4.080 1.00 71.33 N ATOM 0 H ARG A 102 32.332 -42.381 0.087 1.00 72.54 H new ATOM 0 HA ARG A 102 32.018 -41.604 2.886 1.00 32.34 H new ATOM 0 HB2 ARG A 102 30.688 -43.773 2.382 1.00 62.21 H new ATOM 0 HB3 ARG A 102 32.247 -44.529 2.119 1.00 62.21 H new ATOM 0 HG2 ARG A 102 32.912 -44.232 4.379 1.00 44.00 H new ATOM 0 HG3 ARG A 102 31.673 -43.030 4.683 1.00 44.00 H new ATOM 0 HD2 ARG A 102 30.950 -45.074 5.723 1.00 73.32 H new ATOM 0 HD3 ARG A 102 29.924 -44.811 4.326 1.00 73.32 H new ATOM 0 HE ARG A 102 31.963 -46.402 3.325 1.00 5.43 H new ATOM 0 HH11 ARG A 102 29.711 -46.611 6.036 1.00 2.14 H new ATOM 0 HH12 ARG A 102 29.658 -48.377 6.006 1.00 2.14 H new ATOM 0 HH21 ARG A 102 31.890 -48.669 3.294 1.00 71.33 H new ATOM 0 HH22 ARG A 102 30.886 -49.537 4.461 1.00 71.33 H new ATOM 1646 N ASP A 103 34.463 -42.154 3.284 1.00 74.04 N ATOM 1647 CA ASP A 103 35.918 -42.182 3.384 1.00 12.33 C ATOM 1648 C ASP A 103 36.405 -43.554 3.840 1.00 41.33 C ATOM 1649 O ASP A 103 35.637 -44.347 4.382 1.00 61.23 O ATOM 1650 CB ASP A 103 36.403 -41.106 4.357 1.00 44.52 C ATOM 1651 CG ASP A 103 36.039 -39.707 3.901 1.00 4.05 C ATOM 1652 OD1 ASP A 103 34.919 -39.252 4.217 1.00 23.45 O ATOM 1653 OD2 ASP A 103 36.874 -39.066 3.229 1.00 54.44 O ATOM 0 H ASP A 103 33.985 -41.892 4.146 1.00 74.04 H new ATOM 0 HA ASP A 103 36.330 -41.980 2.395 1.00 12.33 H new ATOM 0 HB2 ASP A 103 35.971 -41.288 5.341 1.00 44.52 H new ATOM 0 HB3 ASP A 103 37.485 -41.180 4.466 1.00 44.52 H new ATOM 1658 N MET A 104 37.686 -43.826 3.613 1.00 22.42 N ATOM 1659 CA MET A 104 38.276 -45.102 4.001 1.00 74.41 C ATOM 1660 C MET A 104 38.990 -44.986 5.343 1.00 20.44 C ATOM 1661 O MET A 104 38.756 -45.783 6.253 1.00 62.23 O ATOM 1662 CB MET A 104 39.255 -45.583 2.928 1.00 43.41 C ATOM 1663 CG MET A 104 39.518 -47.079 2.970 1.00 15.44 C ATOM 1664 SD MET A 104 40.892 -47.514 4.053 1.00 1.23 S ATOM 1665 CE MET A 104 41.306 -49.144 3.437 1.00 72.10 C ATOM 0 H MET A 104 38.335 -43.180 3.163 1.00 22.42 H new ATOM 0 HA MET A 104 37.471 -45.830 4.101 1.00 74.41 H new ATOM 0 HB2 MET A 104 38.863 -45.319 1.946 1.00 43.41 H new ATOM 0 HB3 MET A 104 40.200 -45.053 3.047 1.00 43.41 H new ATOM 0 HG2 MET A 104 38.618 -47.593 3.308 1.00 15.44 H new ATOM 0 HG3 MET A 104 39.729 -47.435 1.962 1.00 15.44 H new ATOM 0 HE1 MET A 104 42.142 -49.547 4.009 1.00 72.10 H new ATOM 0 HE2 MET A 104 40.444 -49.802 3.541 1.00 72.10 H new ATOM 0 HE3 MET A 104 41.585 -49.076 2.386 1.00 72.10 H new TER 1675 MET A 104