USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0478 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 137:sc= -0.245 (180deg=-2.44!) USER MOD Single : A 14 HIS : no HD1:sc= -2.69 K(o=-2.7,f=-3.3) USER MOD Single : A 22 ASN : amide:sc= 0.112 X(o=0.11,f=-0.0075) USER MOD Single : A 23 MET CE :methyl -138:sc= -3.4 (180deg=-8.82!) USER MOD Single : A 25 HIS : no HD1:sc= -2.51! C(o=-2.5!,f=-6.8!) USER MOD Single : A 27 MET CE :methyl -154:sc= -2.06 (180deg=-3.5!) USER MOD Single : A 37 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.035) USER MOD Single : A 47 CYS SG : rot 89:sc= -6.5! USER MOD Single : A 48 SER OG : rot -75:sc= 0.8 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.298 K(o=-0.3,f=-3.5) USER MOD Single : A 68 SER OG : rot 180:sc= -0.249 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -77:sc= -3.95 USER MOD Single : A 82 GLN : amide:sc= -0.622 X(o=-0.62,f=-0.64) USER MOD Single : A 83 THR OG1 : rot 117:sc= 0.263 USER MOD Single : A 93 GLN : amide:sc= -2.36! C(o=-2.4!,f=-2.5!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 97 GLN : amide:sc= -9.79! C(o=-9.8!,f=-5!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 171:sc= -0.89! USER MOD Single : A 106 GLN : amide:sc= -2.68 K(o=-2.7,f=-5!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -63:sc= 0.026 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0173 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.669 31.018 -16.786 1.00 0.00 N ATOM 2 CA GLY A 1 19.494 30.157 -17.613 1.00 0.00 C ATOM 3 C GLY A 1 20.701 30.880 -18.178 1.00 0.00 C ATOM 4 O GLY A 1 20.718 32.108 -18.253 1.00 0.00 O ATOM 0 H1 GLY A 1 18.766 30.739 -15.789 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.975 32.006 -16.900 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.674 30.928 -17.075 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.829 29.304 -17.023 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.894 29.762 -18.433 1.00 0.00 H new ATOM 8 N SER A 2 21.714 30.116 -18.575 1.00 0.00 N ATOM 9 CA SER A 2 22.933 30.692 -19.131 1.00 0.00 C ATOM 10 C SER A 2 23.859 29.599 -19.657 1.00 0.00 C ATOM 11 O SER A 2 23.758 28.439 -19.257 1.00 0.00 O ATOM 12 CB SER A 2 23.658 31.524 -18.072 1.00 0.00 C ATOM 13 OG SER A 2 24.539 32.457 -18.672 1.00 0.00 O ATOM 0 H SER A 2 21.715 29.097 -18.522 1.00 0.00 H new ATOM 0 HA SER A 2 22.654 31.339 -19.963 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.929 32.051 -17.457 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.218 30.865 -17.408 1.00 0.00 H new ATOM 0 HG SER A 2 24.989 32.978 -17.974 1.00 0.00 H new ATOM 19 N SER A 3 24.760 29.979 -20.557 1.00 0.00 N ATOM 20 CA SER A 3 25.703 29.032 -21.141 1.00 0.00 C ATOM 21 C SER A 3 26.564 28.385 -20.060 1.00 0.00 C ATOM 22 O SER A 3 26.581 28.832 -18.915 1.00 0.00 O ATOM 23 CB SER A 3 26.594 29.734 -22.167 1.00 0.00 C ATOM 24 OG SER A 3 25.889 29.983 -23.371 1.00 0.00 O ATOM 0 H SER A 3 24.857 30.936 -20.898 1.00 0.00 H new ATOM 0 HA SER A 3 25.132 28.250 -21.641 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.958 30.675 -21.754 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.469 29.118 -22.375 1.00 0.00 H new ATOM 0 HG SER A 3 26.480 30.434 -24.009 1.00 0.00 H new ATOM 30 N GLY A 4 27.277 27.327 -20.435 1.00 0.00 N ATOM 31 CA GLY A 4 28.131 26.635 -19.488 1.00 0.00 C ATOM 32 C GLY A 4 28.111 25.131 -19.681 1.00 0.00 C ATOM 33 O GLY A 4 28.151 24.643 -20.810 1.00 0.00 O ATOM 0 H GLY A 4 27.278 26.937 -21.378 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.153 26.998 -19.593 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.811 26.872 -18.474 1.00 0.00 H new ATOM 37 N SER A 5 28.052 24.395 -18.576 1.00 0.00 N ATOM 38 CA SER A 5 28.033 22.938 -18.628 1.00 0.00 C ATOM 39 C SER A 5 26.631 22.424 -18.940 1.00 0.00 C ATOM 40 O SER A 5 25.899 22.002 -18.045 1.00 0.00 O ATOM 41 CB SER A 5 28.520 22.352 -17.302 1.00 0.00 C ATOM 42 OG SER A 5 29.927 22.468 -17.179 1.00 0.00 O ATOM 0 H SER A 5 28.017 24.784 -17.634 1.00 0.00 H new ATOM 0 HA SER A 5 28.704 22.619 -19.425 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.036 22.868 -16.473 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.231 21.303 -17.237 1.00 0.00 H new ATOM 0 HG SER A 5 30.213 22.088 -16.322 1.00 0.00 H new ATOM 48 N SER A 6 26.264 22.462 -20.217 1.00 0.00 N ATOM 49 CA SER A 6 24.948 22.004 -20.648 1.00 0.00 C ATOM 50 C SER A 6 24.888 20.480 -20.683 1.00 0.00 C ATOM 51 O SER A 6 25.101 19.862 -21.726 1.00 0.00 O ATOM 52 CB SER A 6 24.615 22.570 -22.030 1.00 0.00 C ATOM 53 OG SER A 6 24.090 23.883 -21.930 1.00 0.00 O ATOM 0 H SER A 6 26.859 22.805 -20.971 1.00 0.00 H new ATOM 0 HA SER A 6 24.212 22.363 -19.929 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.513 22.580 -22.648 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.892 21.923 -22.527 1.00 0.00 H new ATOM 0 HG SER A 6 23.887 24.223 -22.826 1.00 0.00 H new ATOM 59 N GLY A 7 24.597 19.879 -19.533 1.00 0.00 N ATOM 60 CA GLY A 7 24.514 18.432 -19.452 1.00 0.00 C ATOM 61 C GLY A 7 25.477 17.852 -18.435 1.00 0.00 C ATOM 62 O GLY A 7 25.915 18.546 -17.519 1.00 0.00 O ATOM 0 H GLY A 7 24.417 20.368 -18.656 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.496 18.144 -19.190 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.724 18.004 -20.432 1.00 0.00 H new ATOM 66 N GLY A 8 25.806 16.574 -18.597 1.00 0.00 N ATOM 67 CA GLY A 8 26.720 15.922 -17.677 1.00 0.00 C ATOM 68 C GLY A 8 26.030 14.888 -16.810 1.00 0.00 C ATOM 69 O GLY A 8 25.804 13.751 -17.225 1.00 0.00 O ATOM 0 H GLY A 8 25.456 15.979 -19.348 1.00 0.00 H new ATOM 0 HA2 GLY A 8 27.519 15.443 -18.242 1.00 0.00 H new ATOM 0 HA3 GLY A 8 27.187 16.673 -17.040 1.00 0.00 H new ATOM 73 N PRO A 9 25.684 15.280 -15.575 1.00 0.00 N ATOM 74 CA PRO A 9 25.012 14.392 -14.621 1.00 0.00 C ATOM 75 C PRO A 9 23.576 14.083 -15.031 1.00 0.00 C ATOM 76 O PRO A 9 22.894 14.921 -15.619 1.00 0.00 O ATOM 77 CB PRO A 9 25.036 15.191 -13.316 1.00 0.00 C ATOM 78 CG PRO A 9 25.117 16.615 -13.744 1.00 0.00 C ATOM 79 CD PRO A 9 25.923 16.620 -15.014 1.00 0.00 C ATOM 0 HA PRO A 9 25.503 13.421 -14.551 1.00 0.00 H new ATOM 0 HB2 PRO A 9 24.140 15.007 -12.723 1.00 0.00 H new ATOM 0 HB3 PRO A 9 25.890 14.914 -12.698 1.00 0.00 H new ATOM 0 HG2 PRO A 9 24.123 17.030 -13.911 1.00 0.00 H new ATOM 0 HG3 PRO A 9 25.593 17.227 -12.977 1.00 0.00 H new ATOM 0 HD2 PRO A 9 25.595 17.405 -15.695 1.00 0.00 H new ATOM 0 HD3 PRO A 9 26.982 16.790 -14.817 1.00 0.00 H new ATOM 87 N SER A 10 23.123 12.873 -14.715 1.00 0.00 N ATOM 88 CA SER A 10 21.769 12.452 -15.053 1.00 0.00 C ATOM 89 C SER A 10 21.090 11.792 -13.857 1.00 0.00 C ATOM 90 O SER A 10 20.594 10.670 -13.952 1.00 0.00 O ATOM 91 CB SER A 10 21.794 11.484 -16.238 1.00 0.00 C ATOM 92 OG SER A 10 22.008 12.175 -17.456 1.00 0.00 O ATOM 0 H SER A 10 23.674 12.168 -14.226 1.00 0.00 H new ATOM 0 HA SER A 10 21.198 13.339 -15.329 1.00 0.00 H new ATOM 0 HB2 SER A 10 22.582 10.746 -16.092 1.00 0.00 H new ATOM 0 HB3 SER A 10 20.851 10.939 -16.286 1.00 0.00 H new ATOM 0 HG SER A 10 22.022 11.534 -18.198 1.00 0.00 H new ATOM 98 N ARG A 11 21.074 12.497 -12.730 1.00 0.00 N ATOM 99 CA ARG A 11 20.459 11.980 -11.514 1.00 0.00 C ATOM 100 C ARG A 11 19.525 13.016 -10.894 1.00 0.00 C ATOM 101 O ARG A 11 19.626 14.208 -11.183 1.00 0.00 O ATOM 102 CB ARG A 11 21.534 11.578 -10.504 1.00 0.00 C ATOM 103 CG ARG A 11 22.336 12.753 -9.968 1.00 0.00 C ATOM 104 CD ARG A 11 23.542 13.051 -10.844 1.00 0.00 C ATOM 105 NE ARG A 11 24.658 12.152 -10.563 1.00 0.00 N ATOM 106 CZ ARG A 11 25.444 12.267 -9.498 1.00 0.00 C ATOM 107 NH1 ARG A 11 25.237 13.237 -8.618 1.00 0.00 N ATOM 108 NH2 ARG A 11 26.440 11.410 -9.311 1.00 0.00 N ATOM 0 H ARG A 11 21.480 13.428 -12.634 1.00 0.00 H new ATOM 0 HA ARG A 11 19.873 11.100 -11.779 1.00 0.00 H new ATOM 0 HB2 ARG A 11 21.061 11.061 -9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 11 22.215 10.868 -10.974 1.00 0.00 H new ATOM 0 HG2 ARG A 11 21.698 13.635 -9.913 1.00 0.00 H new ATOM 0 HG3 ARG A 11 22.667 12.536 -8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.259 12.961 -11.893 1.00 0.00 H new ATOM 0 HD3 ARG A 11 23.859 14.082 -10.687 1.00 0.00 H new ATOM 0 HE ARG A 11 24.844 11.394 -11.220 1.00 0.00 H new ATOM 0 HH11 ARG A 11 24.473 13.898 -8.758 1.00 0.00 H new ATOM 0 HH12 ARG A 11 25.842 13.322 -7.801 1.00 0.00 H new ATOM 0 HH21 ARG A 11 26.603 10.662 -9.985 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.043 11.499 -8.493 1.00 0.00 H new ATOM 122 N MET A 12 18.617 12.552 -10.042 1.00 0.00 N ATOM 123 CA MET A 12 17.666 13.439 -9.381 1.00 0.00 C ATOM 124 C MET A 12 18.085 13.708 -7.939 1.00 0.00 C ATOM 125 O MET A 12 18.539 12.804 -7.237 1.00 0.00 O ATOM 126 CB MET A 12 16.263 12.831 -9.412 1.00 0.00 C ATOM 127 CG MET A 12 16.044 11.754 -8.362 1.00 0.00 C ATOM 128 SD MET A 12 14.414 10.991 -8.479 1.00 0.00 S ATOM 129 CE MET A 12 14.504 10.251 -10.107 1.00 0.00 C ATOM 0 H MET A 12 18.519 11.568 -9.793 1.00 0.00 H new ATOM 0 HA MET A 12 17.655 14.386 -9.920 1.00 0.00 H new ATOM 0 HB2 MET A 12 15.529 13.624 -9.266 1.00 0.00 H new ATOM 0 HB3 MET A 12 16.082 12.406 -10.399 1.00 0.00 H new ATOM 0 HG2 MET A 12 16.809 10.985 -8.470 1.00 0.00 H new ATOM 0 HG3 MET A 12 16.167 12.189 -7.370 1.00 0.00 H new ATOM 0 HE1 MET A 12 14.079 9.248 -10.075 1.00 0.00 H new ATOM 0 HE2 MET A 12 13.943 10.860 -10.815 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.545 10.194 -10.424 1.00 0.00 H new ATOM 139 N ARG A 13 17.930 14.954 -7.505 1.00 0.00 N ATOM 140 CA ARG A 13 18.294 15.341 -6.147 1.00 0.00 C ATOM 141 C ARG A 13 17.125 16.027 -5.446 1.00 0.00 C ATOM 142 O ARG A 13 17.097 17.252 -5.318 1.00 0.00 O ATOM 143 CB ARG A 13 19.508 16.271 -6.167 1.00 0.00 C ATOM 144 CG ARG A 13 20.779 15.603 -6.666 1.00 0.00 C ATOM 145 CD ARG A 13 21.801 16.628 -7.132 1.00 0.00 C ATOM 146 NE ARG A 13 22.164 17.561 -6.069 1.00 0.00 N ATOM 147 CZ ARG A 13 23.100 18.495 -6.198 1.00 0.00 C ATOM 148 NH1 ARG A 13 23.764 18.619 -7.339 1.00 0.00 N ATOM 149 NH2 ARG A 13 23.373 19.307 -5.185 1.00 0.00 N ATOM 0 H ARG A 13 17.555 15.713 -8.074 1.00 0.00 H new ATOM 0 HA ARG A 13 18.547 14.437 -5.594 1.00 0.00 H new ATOM 0 HB2 ARG A 13 19.287 17.130 -6.800 1.00 0.00 H new ATOM 0 HB3 ARG A 13 19.679 16.653 -5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 13 21.209 14.995 -5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.538 14.928 -7.487 1.00 0.00 H new ATOM 0 HD2 ARG A 13 22.695 16.114 -7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 13 21.398 17.183 -7.979 1.00 0.00 H new ATOM 0 HE ARG A 13 21.672 17.492 -5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 13 23.557 17.997 -8.120 1.00 0.00 H new ATOM 0 HH12 ARG A 13 24.482 19.337 -7.436 1.00 0.00 H new ATOM 0 HH21 ARG A 13 22.864 19.215 -4.306 1.00 0.00 H new ATOM 0 HH22 ARG A 13 24.092 20.024 -5.285 1.00 0.00 H new ATOM 163 N HIS A 14 16.162 15.230 -4.994 1.00 0.00 N ATOM 164 CA HIS A 14 14.991 15.761 -4.306 1.00 0.00 C ATOM 165 C HIS A 14 14.142 14.633 -3.729 1.00 0.00 C ATOM 166 O HIS A 14 14.291 13.473 -4.113 1.00 0.00 O ATOM 167 CB HIS A 14 14.151 16.608 -5.262 1.00 0.00 C ATOM 168 CG HIS A 14 14.017 16.012 -6.630 1.00 0.00 C ATOM 169 ND1 HIS A 14 13.508 14.751 -6.854 1.00 0.00 N ATOM 170 CD2 HIS A 14 14.328 16.513 -7.848 1.00 0.00 C ATOM 171 CE1 HIS A 14 13.513 14.501 -8.151 1.00 0.00 C ATOM 172 NE2 HIS A 14 14.005 15.555 -8.777 1.00 0.00 N ATOM 0 H HIS A 14 16.170 14.215 -5.092 1.00 0.00 H new ATOM 0 HA HIS A 14 15.337 16.389 -3.485 1.00 0.00 H new ATOM 0 HB2 HIS A 14 13.157 16.745 -4.835 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.600 17.597 -5.348 1.00 0.00 H new ATOM 0 HD2 HIS A 14 14.751 17.485 -8.051 1.00 0.00 H new ATOM 0 HE1 HIS A 14 13.173 13.590 -8.620 1.00 0.00 H new ATOM 0 HE2 HIS A 14 14.125 15.643 -9.786 1.00 0.00 H new ATOM 180 N GLU A 15 13.253 14.981 -2.803 1.00 0.00 N ATOM 181 CA GLU A 15 12.382 13.995 -2.173 1.00 0.00 C ATOM 182 C GLU A 15 11.432 13.377 -3.194 1.00 0.00 C ATOM 183 O GLU A 15 10.779 14.086 -3.960 1.00 0.00 O ATOM 184 CB GLU A 15 11.582 14.641 -1.040 1.00 0.00 C ATOM 185 CG GLU A 15 12.426 15.014 0.167 1.00 0.00 C ATOM 186 CD GLU A 15 13.625 15.867 -0.202 1.00 0.00 C ATOM 187 OE1 GLU A 15 13.447 17.087 -0.401 1.00 0.00 O ATOM 188 OE2 GLU A 15 14.741 15.314 -0.290 1.00 0.00 O ATOM 0 H GLU A 15 13.117 15.937 -2.473 1.00 0.00 H new ATOM 0 HA GLU A 15 13.008 13.204 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.090 15.537 -1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.796 13.955 -0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.808 15.553 0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.769 14.105 0.661 1.00 0.00 H new ATOM 195 N ARG A 16 11.360 12.049 -3.198 1.00 0.00 N ATOM 196 CA ARG A 16 10.492 11.334 -4.125 1.00 0.00 C ATOM 197 C ARG A 16 9.708 10.242 -3.404 1.00 0.00 C ATOM 198 O ARG A 16 9.460 9.171 -3.959 1.00 0.00 O ATOM 199 CB ARG A 16 11.315 10.722 -5.260 1.00 0.00 C ATOM 200 CG ARG A 16 12.330 9.693 -4.788 1.00 0.00 C ATOM 201 CD ARG A 16 13.659 10.343 -4.435 1.00 0.00 C ATOM 202 NE ARG A 16 14.729 9.360 -4.293 1.00 0.00 N ATOM 203 CZ ARG A 16 15.949 9.658 -3.859 1.00 0.00 C ATOM 204 NH1 ARG A 16 16.251 10.905 -3.527 1.00 0.00 N ATOM 205 NH2 ARG A 16 16.869 8.707 -3.757 1.00 0.00 N ATOM 0 H ARG A 16 11.893 11.447 -2.570 1.00 0.00 H new ATOM 0 HA ARG A 16 9.784 12.049 -4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.640 10.253 -5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.837 11.519 -5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.938 9.167 -3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 16 12.484 8.948 -5.568 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.928 11.062 -5.209 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.554 10.901 -3.505 1.00 0.00 H new ATOM 0 HE ARG A 16 14.529 8.391 -4.541 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.546 11.638 -3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 16 17.188 11.131 -3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.640 7.746 -4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 16 17.805 8.937 -3.424 1.00 0.00 H new ATOM 219 N VAL A 17 9.322 10.519 -2.162 1.00 0.00 N ATOM 220 CA VAL A 17 8.566 9.561 -1.365 1.00 0.00 C ATOM 221 C VAL A 17 7.412 10.241 -0.636 1.00 0.00 C ATOM 222 O VAL A 17 7.492 11.419 -0.288 1.00 0.00 O ATOM 223 CB VAL A 17 9.466 8.857 -0.332 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.663 7.853 0.481 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.639 8.178 -1.024 1.00 0.00 C ATOM 0 H VAL A 17 9.521 11.399 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 17 8.168 8.818 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 17 9.861 9.608 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.316 7.366 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.860 8.370 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.237 7.103 -0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.265 7.685 -0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.265 7.438 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.228 8.924 -1.557 1.00 0.00 H new ATOM 235 N VAL A 18 6.339 9.491 -0.408 1.00 0.00 N ATOM 236 CA VAL A 18 5.168 10.020 0.281 1.00 0.00 C ATOM 237 C VAL A 18 4.726 9.092 1.406 1.00 0.00 C ATOM 238 O VAL A 18 4.907 7.877 1.329 1.00 0.00 O ATOM 239 CB VAL A 18 3.991 10.228 -0.691 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.486 10.778 -2.020 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.233 8.925 -0.894 1.00 0.00 C ATOM 0 H VAL A 18 6.256 8.514 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 18 5.457 10.983 0.701 1.00 0.00 H new ATOM 0 HB VAL A 18 3.307 10.957 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.640 10.918 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.982 11.735 -1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.191 10.076 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.405 9.089 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.906 8.173 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.845 8.577 0.063 1.00 0.00 H new ATOM 251 N ILE A 19 4.146 9.673 2.451 1.00 0.00 N ATOM 252 CA ILE A 19 3.677 8.897 3.593 1.00 0.00 C ATOM 253 C ILE A 19 2.159 8.971 3.721 1.00 0.00 C ATOM 254 O ILE A 19 1.537 9.945 3.295 1.00 0.00 O ATOM 255 CB ILE A 19 4.316 9.385 4.906 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.819 9.601 4.718 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.055 8.388 6.025 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.527 8.417 4.098 1.00 0.00 C ATOM 0 H ILE A 19 3.990 10.678 2.531 1.00 0.00 H new ATOM 0 HA ILE A 19 3.975 7.863 3.416 1.00 0.00 H new ATOM 0 HB ILE A 19 3.863 10.337 5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.976 10.478 4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.271 9.818 5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.513 8.747 6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.980 8.279 6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.484 7.422 5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.589 8.641 3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.401 7.543 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.102 8.213 3.115 1.00 0.00 H new ATOM 270 N ILE A 20 1.570 7.936 4.311 1.00 0.00 N ATOM 271 CA ILE A 20 0.125 7.886 4.497 1.00 0.00 C ATOM 272 C ILE A 20 -0.231 7.516 5.933 1.00 0.00 C ATOM 273 O ILE A 20 0.429 6.682 6.554 1.00 0.00 O ATOM 274 CB ILE A 20 -0.531 6.872 3.541 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.105 6.963 2.152 1.00 0.00 C ATOM 276 CG2 ILE A 20 -2.031 7.115 3.460 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.445 8.092 1.309 1.00 0.00 C ATOM 0 H ILE A 20 2.070 7.122 4.668 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.257 8.883 4.275 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.366 5.867 3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.182 7.093 2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.050 6.020 1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.481 6.391 2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.471 7.005 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.217 8.123 3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.051 8.096 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.517 7.952 1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.266 9.042 1.812 1.00 0.00 H new ATOM 289 N LYS A 21 -1.280 8.142 6.457 1.00 0.00 N ATOM 290 CA LYS A 21 -1.727 7.878 7.819 1.00 0.00 C ATOM 291 C LYS A 21 -3.191 7.448 7.837 1.00 0.00 C ATOM 292 O LYS A 21 -3.940 7.726 6.903 1.00 0.00 O ATOM 293 CB LYS A 21 -1.539 9.122 8.690 1.00 0.00 C ATOM 294 CG LYS A 21 -0.200 9.168 9.404 1.00 0.00 C ATOM 295 CD LYS A 21 0.953 9.294 8.422 1.00 0.00 C ATOM 296 CE LYS A 21 2.292 9.365 9.140 1.00 0.00 C ATOM 297 NZ LYS A 21 2.548 10.719 9.704 1.00 0.00 N ATOM 0 H LYS A 21 -1.836 8.836 5.958 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.123 7.065 8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.639 10.010 8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.338 9.161 9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.184 10.011 10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.074 8.264 10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.948 8.442 7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.818 10.188 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.313 8.627 9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.091 9.104 8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.470 10.726 10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.553 11.420 8.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.800 10.958 10.386 1.00 0.00 H new ATOM 311 N ASN A 22 -3.590 6.770 8.908 1.00 0.00 N ATOM 312 CA ASN A 22 -4.965 6.303 9.048 1.00 0.00 C ATOM 313 C ASN A 22 -5.421 5.570 7.791 1.00 0.00 C ATOM 314 O ASN A 22 -6.472 5.877 7.228 1.00 0.00 O ATOM 315 CB ASN A 22 -5.899 7.481 9.333 1.00 0.00 C ATOM 316 CG ASN A 22 -7.092 7.081 10.180 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.943 6.697 11.340 1.00 0.00 O ATOM 318 ND2 ASN A 22 -8.284 7.170 9.602 1.00 0.00 N ATOM 0 H ASN A 22 -2.982 6.532 9.691 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.003 5.607 9.886 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.342 8.267 9.843 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.250 7.899 8.390 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.123 6.915 10.122 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.360 7.494 8.638 1.00 0.00 H new ATOM 325 N MET A 23 -4.623 4.600 7.355 1.00 0.00 N ATOM 326 CA MET A 23 -4.946 3.822 6.165 1.00 0.00 C ATOM 327 C MET A 23 -5.068 2.339 6.501 1.00 0.00 C ATOM 328 O MET A 23 -5.783 1.597 5.828 1.00 0.00 O ATOM 329 CB MET A 23 -3.878 4.028 5.090 1.00 0.00 C ATOM 330 CG MET A 23 -2.471 3.697 5.561 1.00 0.00 C ATOM 331 SD MET A 23 -1.351 3.328 4.197 1.00 0.00 S ATOM 332 CE MET A 23 -2.226 1.987 3.394 1.00 0.00 C ATOM 0 H MET A 23 -3.749 4.335 7.808 1.00 0.00 H new ATOM 0 HA MET A 23 -5.906 4.169 5.784 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.119 3.408 4.227 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.906 5.065 4.755 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.076 4.537 6.133 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.510 2.842 6.236 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.517 1.212 3.104 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.960 1.568 4.082 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.734 2.364 2.506 1.00 0.00 H new ATOM 342 N PHE A 24 -4.365 1.915 7.546 1.00 0.00 N ATOM 343 CA PHE A 24 -4.393 0.520 7.970 1.00 0.00 C ATOM 344 C PHE A 24 -4.034 0.394 9.448 1.00 0.00 C ATOM 345 O PHE A 24 -3.746 1.387 10.116 1.00 0.00 O ATOM 346 CB PHE A 24 -3.425 -0.312 7.126 1.00 0.00 C ATOM 347 CG PHE A 24 -1.980 0.021 7.369 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.336 -0.422 8.513 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.266 0.776 6.453 1.00 0.00 C ATOM 350 CE1 PHE A 24 -0.008 -0.117 8.739 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.063 1.084 6.673 1.00 0.00 C ATOM 352 CZ PHE A 24 0.694 0.636 7.818 1.00 0.00 C ATOM 0 H PHE A 24 -3.769 2.517 8.114 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.406 0.143 7.826 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.587 -1.369 7.338 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.652 -0.160 6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.879 -1.013 9.236 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.754 1.128 5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.482 -0.467 9.636 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.608 1.674 5.951 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.733 0.874 7.992 1.00 0.00 H new ATOM 362 N HIS A 25 -4.056 -0.836 9.953 1.00 0.00 N ATOM 363 CA HIS A 25 -3.733 -1.093 11.352 1.00 0.00 C ATOM 364 C HIS A 25 -3.031 -2.439 11.509 1.00 0.00 C ATOM 365 O HIS A 25 -3.379 -3.427 10.862 1.00 0.00 O ATOM 366 CB HIS A 25 -5.003 -1.065 12.204 1.00 0.00 C ATOM 367 CG HIS A 25 -4.759 -0.677 13.630 1.00 0.00 C ATOM 368 ND1 HIS A 25 -4.483 -1.593 14.622 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.750 0.538 14.227 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.316 -0.959 15.769 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.472 0.335 15.557 1.00 0.00 N ATOM 0 H HIS A 25 -4.294 -1.669 9.415 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.058 -0.308 11.693 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.712 -0.365 11.762 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.469 -2.050 12.179 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.928 1.489 13.747 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.090 -1.421 16.719 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.398 1.065 16.265 1.00 0.00 H new ATOM 379 N PRO A 26 -2.019 -2.479 12.388 1.00 0.00 N ATOM 380 CA PRO A 26 -1.247 -3.698 12.650 1.00 0.00 C ATOM 381 C PRO A 26 -2.062 -4.752 13.391 1.00 0.00 C ATOM 382 O PRO A 26 -1.538 -5.797 13.776 1.00 0.00 O ATOM 383 CB PRO A 26 -0.091 -3.204 13.524 1.00 0.00 C ATOM 384 CG PRO A 26 -0.613 -1.975 14.184 1.00 0.00 C ATOM 385 CD PRO A 26 -1.550 -1.340 13.194 1.00 0.00 C ATOM 0 HA PRO A 26 -0.926 -4.183 11.728 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.199 -3.955 14.259 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.793 -2.986 12.925 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.132 -2.220 15.111 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.199 -1.296 14.443 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.377 -0.833 13.692 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.042 -0.596 12.580 1.00 0.00 H new ATOM 393 N MET A 27 -3.346 -4.472 13.587 1.00 0.00 N ATOM 394 CA MET A 27 -4.233 -5.398 14.280 1.00 0.00 C ATOM 395 C MET A 27 -5.116 -6.150 13.289 1.00 0.00 C ATOM 396 O MET A 27 -5.655 -7.211 13.605 1.00 0.00 O ATOM 397 CB MET A 27 -5.104 -4.646 15.288 1.00 0.00 C ATOM 398 CG MET A 27 -5.769 -5.551 16.312 1.00 0.00 C ATOM 399 SD MET A 27 -4.771 -5.770 17.797 1.00 0.00 S ATOM 400 CE MET A 27 -3.475 -6.842 17.179 1.00 0.00 C ATOM 0 H MET A 27 -3.795 -3.611 13.276 1.00 0.00 H new ATOM 0 HA MET A 27 -3.617 -6.122 14.813 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.490 -3.911 15.809 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.874 -4.094 14.749 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.737 -5.132 16.588 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.960 -6.525 15.861 1.00 0.00 H new ATOM 0 HE1 MET A 27 -3.065 -7.429 18.001 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.886 -7.513 16.425 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.684 -6.238 16.735 1.00 0.00 H new ATOM 410 N ASP A 28 -5.260 -5.594 12.091 1.00 0.00 N ATOM 411 CA ASP A 28 -6.077 -6.213 11.054 1.00 0.00 C ATOM 412 C ASP A 28 -5.312 -7.334 10.357 1.00 0.00 C ATOM 413 O ASP A 28 -5.908 -8.285 9.850 1.00 0.00 O ATOM 414 CB ASP A 28 -6.518 -5.167 10.030 1.00 0.00 C ATOM 415 CG ASP A 28 -7.759 -4.414 10.470 1.00 0.00 C ATOM 416 OD1 ASP A 28 -8.665 -5.050 11.048 1.00 0.00 O ATOM 417 OD2 ASP A 28 -7.823 -3.189 10.236 1.00 0.00 O ATOM 0 H ASP A 28 -4.821 -4.716 11.814 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.960 -6.640 11.529 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.706 -4.459 9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.713 -5.656 9.076 1.00 0.00 H new ATOM 422 N PHE A 29 -3.988 -7.215 10.334 1.00 0.00 N ATOM 423 CA PHE A 29 -3.142 -8.217 9.697 1.00 0.00 C ATOM 424 C PHE A 29 -3.008 -9.456 10.578 1.00 0.00 C ATOM 425 O PHE A 29 -2.774 -10.558 10.084 1.00 0.00 O ATOM 426 CB PHE A 29 -1.758 -7.634 9.404 1.00 0.00 C ATOM 427 CG PHE A 29 -1.796 -6.210 8.928 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.681 -5.821 7.935 1.00 0.00 C ATOM 429 CD2 PHE A 29 -0.947 -5.261 9.474 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.717 -4.511 7.496 1.00 0.00 C ATOM 431 CE2 PHE A 29 -0.979 -3.949 9.038 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.866 -3.574 8.048 1.00 0.00 C ATOM 0 H PHE A 29 -3.479 -6.435 10.749 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.612 -8.510 8.758 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.150 -7.691 10.307 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.266 -8.248 8.649 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.349 -6.549 7.500 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.252 -5.549 10.249 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.411 -4.220 6.721 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.311 -3.219 9.471 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.894 -2.550 7.706 1.00 0.00 H new ATOM 442 N GLU A 30 -3.158 -9.264 11.885 1.00 0.00 N ATOM 443 CA GLU A 30 -3.053 -10.366 12.834 1.00 0.00 C ATOM 444 C GLU A 30 -4.221 -11.335 12.675 1.00 0.00 C ATOM 445 O GLU A 30 -4.095 -12.527 12.959 1.00 0.00 O ATOM 446 CB GLU A 30 -3.011 -9.831 14.267 1.00 0.00 C ATOM 447 CG GLU A 30 -1.856 -8.878 14.528 1.00 0.00 C ATOM 448 CD GLU A 30 -0.610 -9.592 15.015 1.00 0.00 C ATOM 449 OE1 GLU A 30 -0.656 -10.181 16.115 1.00 0.00 O ATOM 450 OE2 GLU A 30 0.410 -9.562 14.296 1.00 0.00 O ATOM 0 H GLU A 30 -3.352 -8.357 12.310 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.128 -10.903 12.627 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.949 -9.319 14.482 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.941 -10.671 14.958 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.624 -8.334 13.612 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.160 -8.139 15.269 1.00 0.00 H new ATOM 457 N ASP A 31 -5.355 -10.815 12.221 1.00 0.00 N ATOM 458 CA ASP A 31 -6.546 -11.633 12.024 1.00 0.00 C ATOM 459 C ASP A 31 -6.547 -12.266 10.635 1.00 0.00 C ATOM 460 O ASP A 31 -6.962 -13.412 10.465 1.00 0.00 O ATOM 461 CB ASP A 31 -7.808 -10.790 12.214 1.00 0.00 C ATOM 462 CG ASP A 31 -9.008 -11.625 12.615 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.074 -12.043 13.790 1.00 0.00 O ATOM 464 OD2 ASP A 31 -9.881 -11.861 11.754 1.00 0.00 O ATOM 0 H ASP A 31 -5.475 -9.831 11.982 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.536 -12.430 12.768 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.624 -10.033 12.977 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.031 -10.261 11.287 1.00 0.00 H new ATOM 469 N ASP A 32 -6.081 -11.510 9.647 1.00 0.00 N ATOM 470 CA ASP A 32 -6.028 -11.997 8.273 1.00 0.00 C ATOM 471 C ASP A 32 -5.059 -11.164 7.439 1.00 0.00 C ATOM 472 O ASP A 32 -4.980 -9.943 7.570 1.00 0.00 O ATOM 473 CB ASP A 32 -7.421 -11.963 7.643 1.00 0.00 C ATOM 474 CG ASP A 32 -8.181 -13.259 7.848 1.00 0.00 C ATOM 475 OD1 ASP A 32 -7.958 -14.208 7.068 1.00 0.00 O ATOM 476 OD2 ASP A 32 -8.998 -13.324 8.790 1.00 0.00 O ATOM 0 H ASP A 32 -5.735 -10.559 9.771 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.672 -13.027 8.292 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.991 -11.139 8.073 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.329 -11.764 6.575 1.00 0.00 H new ATOM 481 N PRO A 33 -4.302 -11.840 6.562 1.00 0.00 N ATOM 482 CA PRO A 33 -3.324 -11.182 5.690 1.00 0.00 C ATOM 483 C PRO A 33 -3.987 -10.332 4.612 1.00 0.00 C ATOM 484 O PRO A 33 -3.512 -9.243 4.286 1.00 0.00 O ATOM 485 CB PRO A 33 -2.569 -12.354 5.057 1.00 0.00 C ATOM 486 CG PRO A 33 -3.529 -13.493 5.104 1.00 0.00 C ATOM 487 CD PRO A 33 -4.343 -13.297 6.353 1.00 0.00 C ATOM 0 HA PRO A 33 -2.685 -10.493 6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.273 -12.127 4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.657 -12.582 5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.167 -13.503 4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.002 -14.447 5.127 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.364 -13.656 6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.917 -13.836 7.199 1.00 0.00 H new ATOM 495 N LEU A 34 -5.087 -10.835 4.062 1.00 0.00 N ATOM 496 CA LEU A 34 -5.817 -10.120 3.021 1.00 0.00 C ATOM 497 C LEU A 34 -5.796 -8.616 3.275 1.00 0.00 C ATOM 498 O LEU A 34 -5.490 -7.829 2.379 1.00 0.00 O ATOM 499 CB LEU A 34 -7.262 -10.617 2.951 1.00 0.00 C ATOM 500 CG LEU A 34 -7.485 -11.932 2.202 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.571 -11.685 0.704 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.372 -12.920 2.518 1.00 0.00 C ATOM 0 H LEU A 34 -5.493 -11.735 4.320 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.325 -10.315 2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.634 -10.734 3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.868 -9.845 2.477 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.430 -12.361 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.730 -12.632 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.403 -11.013 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.642 -11.233 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.546 -13.850 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.414 -12.498 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.357 -13.121 3.589 1.00 0.00 H new ATOM 514 N VAL A 35 -6.122 -8.224 4.502 1.00 0.00 N ATOM 515 CA VAL A 35 -6.137 -6.815 4.875 1.00 0.00 C ATOM 516 C VAL A 35 -4.910 -6.090 4.336 1.00 0.00 C ATOM 517 O VAL A 35 -5.028 -5.109 3.599 1.00 0.00 O ATOM 518 CB VAL A 35 -6.192 -6.640 6.405 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.219 -5.164 6.773 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.400 -7.364 6.981 1.00 0.00 C ATOM 0 H VAL A 35 -6.379 -8.862 5.255 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.034 -6.381 4.434 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.293 -7.081 6.836 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.258 -5.060 7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.320 -4.678 6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.099 -4.695 6.332 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.423 -7.230 8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.311 -6.955 6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.332 -8.427 6.749 1.00 0.00 H new ATOM 530 N LEU A 36 -3.731 -6.578 4.706 1.00 0.00 N ATOM 531 CA LEU A 36 -2.479 -5.977 4.258 1.00 0.00 C ATOM 532 C LEU A 36 -2.314 -6.124 2.749 1.00 0.00 C ATOM 533 O LEU A 36 -1.772 -5.241 2.085 1.00 0.00 O ATOM 534 CB LEU A 36 -1.294 -6.623 4.978 1.00 0.00 C ATOM 535 CG LEU A 36 0.019 -5.841 4.944 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.068 -4.612 5.834 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.180 -6.729 5.369 1.00 0.00 C ATOM 0 H LEU A 36 -3.616 -7.388 5.315 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.507 -4.915 4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.571 -6.783 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.120 -7.606 4.540 1.00 0.00 H new ATOM 0 HG LEU A 36 0.196 -5.511 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.876 -4.068 5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.873 -3.966 5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.269 -4.919 6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.107 -6.156 5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.010 -7.090 6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.256 -7.578 4.690 1.00 0.00 H new ATOM 549 N ASN A 37 -2.787 -7.244 2.213 1.00 0.00 N ATOM 550 CA ASN A 37 -2.693 -7.506 0.781 1.00 0.00 C ATOM 551 C ASN A 37 -3.438 -6.440 -0.016 1.00 0.00 C ATOM 552 O ASN A 37 -2.839 -5.708 -0.803 1.00 0.00 O ATOM 553 CB ASN A 37 -3.258 -8.890 0.457 1.00 0.00 C ATOM 554 CG ASN A 37 -2.237 -9.993 0.659 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.194 -10.017 0.006 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.534 -10.915 1.568 1.00 0.00 N ATOM 0 H ASN A 37 -3.239 -7.985 2.748 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.641 -7.476 0.499 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.126 -9.082 1.088 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.605 -8.905 -0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.886 -11.682 1.747 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.410 -10.856 2.087 1.00 0.00 H new ATOM 563 N GLU A 38 -4.748 -6.360 0.193 1.00 0.00 N ATOM 564 CA GLU A 38 -5.575 -5.384 -0.507 1.00 0.00 C ATOM 565 C GLU A 38 -5.053 -3.968 -0.282 1.00 0.00 C ATOM 566 O GLU A 38 -5.004 -3.159 -1.209 1.00 0.00 O ATOM 567 CB GLU A 38 -7.028 -5.485 -0.040 1.00 0.00 C ATOM 568 CG GLU A 38 -7.176 -6.007 1.380 1.00 0.00 C ATOM 569 CD GLU A 38 -8.386 -5.431 2.090 1.00 0.00 C ATOM 570 OE1 GLU A 38 -9.518 -5.841 1.760 1.00 0.00 O ATOM 571 OE2 GLU A 38 -8.200 -4.570 2.976 1.00 0.00 O ATOM 0 H GLU A 38 -5.259 -6.959 0.841 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.528 -5.604 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.491 -4.501 -0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.574 -6.141 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.256 -7.094 1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.277 -5.765 1.947 1.00 0.00 H new ATOM 578 N ILE A 39 -4.666 -3.677 0.955 1.00 0.00 N ATOM 579 CA ILE A 39 -4.147 -2.359 1.302 1.00 0.00 C ATOM 580 C ILE A 39 -2.883 -2.040 0.511 1.00 0.00 C ATOM 581 O ILE A 39 -2.827 -1.047 -0.214 1.00 0.00 O ATOM 582 CB ILE A 39 -3.838 -2.255 2.807 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.132 -2.308 3.621 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.072 -0.974 3.103 1.00 0.00 C ATOM 585 CD1 ILE A 39 -4.916 -2.657 5.077 1.00 0.00 C ATOM 0 H ILE A 39 -4.702 -4.335 1.733 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.923 -1.637 1.048 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.216 -3.103 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.631 -1.341 3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.802 -3.043 3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.861 -0.915 4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.134 -0.974 2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.671 -0.114 2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.876 -2.676 5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.445 -3.637 5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.271 -1.909 5.539 1.00 0.00 H new ATOM 597 N ARG A 40 -1.872 -2.889 0.655 1.00 0.00 N ATOM 598 CA ARG A 40 -0.608 -2.698 -0.046 1.00 0.00 C ATOM 599 C ARG A 40 -0.841 -2.492 -1.540 1.00 0.00 C ATOM 600 O ARG A 40 -0.473 -1.458 -2.098 1.00 0.00 O ATOM 601 CB ARG A 40 0.310 -3.901 0.176 1.00 0.00 C ATOM 602 CG ARG A 40 1.760 -3.639 -0.200 1.00 0.00 C ATOM 603 CD ARG A 40 2.522 -4.936 -0.420 1.00 0.00 C ATOM 604 NE ARG A 40 3.014 -5.501 0.833 1.00 0.00 N ATOM 605 CZ ARG A 40 3.979 -4.947 1.560 1.00 0.00 C ATOM 606 NH1 ARG A 40 4.551 -3.820 1.159 1.00 0.00 N ATOM 607 NH2 ARG A 40 4.373 -5.521 2.689 1.00 0.00 N ATOM 0 H ARG A 40 -1.903 -3.716 1.251 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.130 -1.805 0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.263 -4.195 1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.061 -4.743 -0.408 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.798 -3.035 -1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.243 -3.061 0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.872 -5.659 -0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.362 -4.754 -1.090 1.00 0.00 H new ATOM 0 HE ARG A 40 2.594 -6.368 1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.251 -3.376 0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.291 -3.397 1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.935 -6.388 3.000 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.114 -5.095 3.246 1.00 0.00 H new ATOM 621 N GLU A 41 -1.454 -3.482 -2.181 1.00 0.00 N ATOM 622 CA GLU A 41 -1.735 -3.409 -3.610 1.00 0.00 C ATOM 623 C GLU A 41 -2.513 -2.141 -3.947 1.00 0.00 C ATOM 624 O GLU A 41 -2.315 -1.540 -5.003 1.00 0.00 O ATOM 625 CB GLU A 41 -2.523 -4.640 -4.061 1.00 0.00 C ATOM 626 CG GLU A 41 -4.030 -4.450 -4.012 1.00 0.00 C ATOM 627 CD GLU A 41 -4.781 -5.763 -3.908 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.260 -6.695 -3.261 1.00 0.00 O ATOM 629 OE2 GLU A 41 -5.890 -5.858 -4.475 1.00 0.00 O ATOM 0 H GLU A 41 -1.766 -4.344 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.783 -3.382 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.230 -4.895 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.251 -5.486 -3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.285 -3.821 -3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.355 -3.920 -4.907 1.00 0.00 H new ATOM 636 N ASP A 42 -3.400 -1.740 -3.042 1.00 0.00 N ATOM 637 CA ASP A 42 -4.209 -0.543 -3.242 1.00 0.00 C ATOM 638 C ASP A 42 -3.326 0.695 -3.364 1.00 0.00 C ATOM 639 O ASP A 42 -3.567 1.561 -4.207 1.00 0.00 O ATOM 640 CB ASP A 42 -5.196 -0.370 -2.087 1.00 0.00 C ATOM 641 CG ASP A 42 -6.528 -1.040 -2.357 1.00 0.00 C ATOM 642 OD1 ASP A 42 -6.556 -2.007 -3.148 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.543 -0.599 -1.779 1.00 0.00 O ATOM 0 H ASP A 42 -3.577 -2.226 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.767 -0.662 -4.171 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.762 -0.785 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.357 0.693 -1.907 1.00 0.00 H new ATOM 648 N LEU A 43 -2.306 0.773 -2.518 1.00 0.00 N ATOM 649 CA LEU A 43 -1.387 1.907 -2.530 1.00 0.00 C ATOM 650 C LEU A 43 -0.595 1.952 -3.832 1.00 0.00 C ATOM 651 O LEU A 43 -0.230 3.025 -4.312 1.00 0.00 O ATOM 652 CB LEU A 43 -0.430 1.825 -1.339 1.00 0.00 C ATOM 653 CG LEU A 43 -0.857 2.583 -0.082 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.187 2.430 1.014 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.089 4.053 -0.398 1.00 0.00 C ATOM 0 H LEU A 43 -2.093 0.065 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.975 2.821 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.296 0.775 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.543 2.202 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.794 2.157 0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.134 2.976 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.304 1.375 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.140 2.829 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.392 4.577 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.168 4.493 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.873 4.144 -1.149 1.00 0.00 H new ATOM 667 N ARG A 44 -0.333 0.779 -4.400 1.00 0.00 N ATOM 668 CA ARG A 44 0.416 0.684 -5.648 1.00 0.00 C ATOM 669 C ARG A 44 -0.469 1.035 -6.840 1.00 0.00 C ATOM 670 O ARG A 44 -0.006 1.620 -7.820 1.00 0.00 O ATOM 671 CB ARG A 44 0.987 -0.724 -5.819 1.00 0.00 C ATOM 672 CG ARG A 44 2.403 -0.876 -5.289 1.00 0.00 C ATOM 673 CD ARG A 44 2.650 -2.278 -4.753 1.00 0.00 C ATOM 674 NE ARG A 44 3.141 -3.182 -5.789 1.00 0.00 N ATOM 675 CZ ARG A 44 3.004 -4.502 -5.738 1.00 0.00 C ATOM 676 NH1 ARG A 44 2.392 -5.069 -4.707 1.00 0.00 N ATOM 677 NH2 ARG A 44 3.478 -5.258 -6.720 1.00 0.00 N ATOM 0 H ARG A 44 -0.628 -0.119 -4.016 1.00 0.00 H new ATOM 0 HA ARG A 44 1.238 1.398 -5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.338 -1.435 -5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.974 -0.986 -6.877 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.116 -0.659 -6.085 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.577 -0.147 -4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.374 -2.232 -3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.725 -2.674 -4.335 1.00 0.00 H new ATOM 0 HE ARG A 44 3.615 -2.778 -6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.025 -4.491 -3.951 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.288 -6.083 -4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.948 -4.825 -7.515 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.372 -6.272 -6.680 1.00 0.00 H new ATOM 691 N VAL A 45 -1.745 0.673 -6.751 1.00 0.00 N ATOM 692 CA VAL A 45 -2.695 0.949 -7.822 1.00 0.00 C ATOM 693 C VAL A 45 -3.217 2.379 -7.738 1.00 0.00 C ATOM 694 O VAL A 45 -3.628 2.959 -8.742 1.00 0.00 O ATOM 695 CB VAL A 45 -3.888 -0.025 -7.779 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.424 -1.421 -7.395 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.950 0.477 -6.813 1.00 0.00 C ATOM 0 H VAL A 45 -2.145 0.188 -5.948 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.160 0.815 -8.762 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.329 -0.076 -8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.280 -2.095 -7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.702 -1.779 -8.129 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.957 -1.391 -6.411 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.785 -0.223 -6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.523 0.558 -5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.304 1.456 -7.137 1.00 0.00 H new ATOM 707 N GLU A 46 -3.197 2.941 -6.533 1.00 0.00 N ATOM 708 CA GLU A 46 -3.669 4.304 -6.319 1.00 0.00 C ATOM 709 C GLU A 46 -2.641 5.319 -6.810 1.00 0.00 C ATOM 710 O GLU A 46 -2.981 6.274 -7.509 1.00 0.00 O ATOM 711 CB GLU A 46 -3.964 4.537 -4.836 1.00 0.00 C ATOM 712 CG GLU A 46 -2.765 5.035 -4.047 1.00 0.00 C ATOM 713 CD GLU A 46 -3.128 5.453 -2.635 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.311 5.313 -2.261 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.230 5.921 -1.905 1.00 0.00 O ATOM 0 H GLU A 46 -2.859 2.474 -5.691 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.587 4.438 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.774 5.261 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.318 3.605 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.010 4.250 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.318 5.881 -4.569 1.00 0.00 H new ATOM 722 N CYS A 47 -1.383 5.106 -6.438 1.00 0.00 N ATOM 723 CA CYS A 47 -0.305 6.003 -6.839 1.00 0.00 C ATOM 724 C CYS A 47 -0.023 5.881 -8.332 1.00 0.00 C ATOM 725 O CYS A 47 0.604 6.756 -8.930 1.00 0.00 O ATOM 726 CB CYS A 47 0.964 5.697 -6.041 1.00 0.00 C ATOM 727 SG CYS A 47 0.817 6.020 -4.268 1.00 0.00 S ATOM 0 H CYS A 47 -1.085 4.320 -5.860 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.620 7.025 -6.630 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.229 4.650 -6.188 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.784 6.293 -6.441 1.00 0.00 H new ATOM 0 HG CYS A 47 0.375 4.955 -3.668 1.00 0.00 H new ATOM 733 N SER A 48 -0.489 4.789 -8.930 1.00 0.00 N ATOM 734 CA SER A 48 -0.282 4.549 -10.354 1.00 0.00 C ATOM 735 C SER A 48 -1.195 5.439 -11.192 1.00 0.00 C ATOM 736 O SER A 48 -0.835 5.853 -12.295 1.00 0.00 O ATOM 737 CB SER A 48 -0.538 3.078 -10.687 1.00 0.00 C ATOM 738 OG SER A 48 -1.893 2.864 -11.043 1.00 0.00 O ATOM 0 H SER A 48 -1.012 4.056 -8.451 1.00 0.00 H new ATOM 0 HA SER A 48 0.753 4.793 -10.593 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.110 2.770 -11.507 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.282 2.458 -9.828 1.00 0.00 H new ATOM 0 HG SER A 48 -2.450 2.886 -10.237 1.00 0.00 H new ATOM 744 N LYS A 49 -2.378 5.728 -10.662 1.00 0.00 N ATOM 745 CA LYS A 49 -3.344 6.570 -11.359 1.00 0.00 C ATOM 746 C LYS A 49 -2.652 7.752 -12.030 1.00 0.00 C ATOM 747 O LYS A 49 -3.044 8.179 -13.115 1.00 0.00 O ATOM 748 CB LYS A 49 -4.409 7.075 -10.383 1.00 0.00 C ATOM 749 CG LYS A 49 -5.103 5.966 -9.612 1.00 0.00 C ATOM 750 CD LYS A 49 -5.756 4.962 -10.548 1.00 0.00 C ATOM 751 CE LYS A 49 -6.360 3.796 -9.780 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.552 3.234 -10.473 1.00 0.00 N ATOM 0 H LYS A 49 -2.692 5.392 -9.752 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.824 5.967 -12.130 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.945 7.762 -9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.156 7.644 -10.936 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.380 5.455 -8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.858 6.396 -8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.533 5.457 -11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.016 4.589 -11.256 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.610 3.015 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.643 4.127 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.935 2.442 -9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.278 3.972 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.277 2.895 -11.417 1.00 0.00 H new ATOM 766 N PHE A 50 -1.619 8.275 -11.377 1.00 0.00 N ATOM 767 CA PHE A 50 -0.872 9.408 -11.911 1.00 0.00 C ATOM 768 C PHE A 50 0.302 8.932 -12.762 1.00 0.00 C ATOM 769 O PHE A 50 0.671 9.574 -13.745 1.00 0.00 O ATOM 770 CB PHE A 50 -0.364 10.293 -10.771 1.00 0.00 C ATOM 771 CG PHE A 50 -1.328 10.408 -9.626 1.00 0.00 C ATOM 772 CD1 PHE A 50 -2.282 11.411 -9.604 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.279 9.511 -8.570 1.00 0.00 C ATOM 774 CE1 PHE A 50 -3.172 11.519 -8.551 1.00 0.00 C ATOM 775 CE2 PHE A 50 -2.166 9.614 -7.515 1.00 0.00 C ATOM 776 CZ PHE A 50 -3.113 10.620 -7.505 1.00 0.00 C ATOM 0 H PHE A 50 -1.280 7.932 -10.478 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.544 9.990 -12.542 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.579 9.890 -10.402 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.155 11.289 -11.161 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.332 12.118 -10.419 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.540 8.723 -8.572 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.912 12.306 -8.547 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.119 8.908 -6.699 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.806 10.703 -6.681 1.00 0.00 H new ATOM 786 N GLY A 51 0.886 7.801 -12.377 1.00 0.00 N ATOM 787 CA GLY A 51 2.012 7.259 -13.114 1.00 0.00 C ATOM 788 C GLY A 51 2.318 5.824 -12.731 1.00 0.00 C ATOM 789 O GLY A 51 1.519 4.924 -12.986 1.00 0.00 O ATOM 0 H GLY A 51 0.599 7.251 -11.568 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.802 7.310 -14.182 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.892 7.876 -12.933 1.00 0.00 H new ATOM 793 N GLN A 52 3.479 5.612 -12.120 1.00 0.00 N ATOM 794 CA GLN A 52 3.890 4.276 -11.704 1.00 0.00 C ATOM 795 C GLN A 52 4.395 4.285 -10.265 1.00 0.00 C ATOM 796 O GLN A 52 4.571 5.346 -9.666 1.00 0.00 O ATOM 797 CB GLN A 52 4.978 3.741 -12.636 1.00 0.00 C ATOM 798 CG GLN A 52 4.452 3.286 -13.988 1.00 0.00 C ATOM 799 CD GLN A 52 5.532 2.676 -14.859 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.217 1.736 -14.453 1.00 0.00 O ATOM 801 NE2 GLN A 52 5.692 3.209 -16.065 1.00 0.00 N ATOM 0 H GLN A 52 4.151 6.347 -11.902 1.00 0.00 H new ATOM 0 HA GLN A 52 3.020 3.622 -11.760 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.727 4.518 -12.790 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.481 2.904 -12.151 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.657 2.556 -13.837 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.010 4.137 -14.507 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.103 3.987 -16.361 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.404 2.840 -16.695 1.00 0.00 H new ATOM 810 N ILE A 53 4.625 3.097 -9.717 1.00 0.00 N ATOM 811 CA ILE A 53 5.111 2.969 -8.348 1.00 0.00 C ATOM 812 C ILE A 53 6.539 2.434 -8.320 1.00 0.00 C ATOM 813 O ILE A 53 6.759 1.223 -8.333 1.00 0.00 O ATOM 814 CB ILE A 53 4.209 2.039 -7.516 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.769 2.094 -8.030 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.267 2.423 -6.045 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.206 3.496 -8.100 1.00 0.00 C ATOM 0 H ILE A 53 4.483 2.209 -10.199 1.00 0.00 H new ATOM 0 HA ILE A 53 5.091 3.967 -7.910 1.00 0.00 H new ATOM 0 HB ILE A 53 4.572 1.017 -7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.729 1.645 -9.022 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.136 1.489 -7.380 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.624 1.757 -5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.293 2.337 -5.687 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.925 3.451 -5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.182 3.459 -8.473 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.214 3.941 -7.105 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.815 4.100 -8.773 1.00 0.00 H new ATOM 829 N ARG A 54 7.505 3.345 -8.278 1.00 0.00 N ATOM 830 CA ARG A 54 8.912 2.965 -8.247 1.00 0.00 C ATOM 831 C ARG A 54 9.173 1.934 -7.152 1.00 0.00 C ATOM 832 O ARG A 54 9.973 1.015 -7.327 1.00 0.00 O ATOM 833 CB ARG A 54 9.791 4.197 -8.021 1.00 0.00 C ATOM 834 CG ARG A 54 10.123 4.950 -9.298 1.00 0.00 C ATOM 835 CD ARG A 54 11.314 4.334 -10.015 1.00 0.00 C ATOM 836 NE ARG A 54 12.584 4.832 -9.494 1.00 0.00 N ATOM 837 CZ ARG A 54 13.760 4.282 -9.776 1.00 0.00 C ATOM 838 NH1 ARG A 54 13.827 3.223 -10.571 1.00 0.00 N ATOM 839 NH2 ARG A 54 14.872 4.793 -9.264 1.00 0.00 N ATOM 0 H ARG A 54 7.339 4.351 -8.265 1.00 0.00 H new ATOM 0 HA ARG A 54 9.163 2.520 -9.210 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.285 4.873 -7.332 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.719 3.888 -7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.257 4.946 -9.960 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.339 5.992 -9.062 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.279 3.250 -9.910 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.249 4.553 -11.081 1.00 0.00 H new ATOM 0 HE ARG A 54 12.567 5.646 -8.880 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.974 2.828 -10.968 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.731 2.803 -10.786 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.824 5.609 -8.653 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.775 4.370 -9.481 1.00 0.00 H new ATOM 853 N LYS A 55 8.492 2.093 -6.022 1.00 0.00 N ATOM 854 CA LYS A 55 8.647 1.177 -4.899 1.00 0.00 C ATOM 855 C LYS A 55 7.586 1.436 -3.835 1.00 0.00 C ATOM 856 O LYS A 55 7.133 2.568 -3.657 1.00 0.00 O ATOM 857 CB LYS A 55 10.043 1.320 -4.287 1.00 0.00 C ATOM 858 CG LYS A 55 10.163 0.718 -2.898 1.00 0.00 C ATOM 859 CD LYS A 55 11.613 0.460 -2.525 1.00 0.00 C ATOM 860 CE LYS A 55 11.729 -0.575 -1.417 1.00 0.00 C ATOM 861 NZ LYS A 55 13.028 -1.301 -1.469 1.00 0.00 N ATOM 0 H LYS A 55 7.827 2.849 -5.860 1.00 0.00 H new ATOM 0 HA LYS A 55 8.522 0.160 -5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.769 0.843 -4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.303 2.377 -4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.713 1.392 -2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.604 -0.217 -2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.160 0.117 -3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.078 1.392 -2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.626 -0.084 -0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.910 -1.290 -1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.068 -1.997 -0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.116 -1.791 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.809 -0.623 -1.364 1.00 0.00 H new ATOM 875 N LEU A 56 7.193 0.382 -3.128 1.00 0.00 N ATOM 876 CA LEU A 56 6.185 0.496 -2.080 1.00 0.00 C ATOM 877 C LEU A 56 6.643 -0.207 -0.806 1.00 0.00 C ATOM 878 O LEU A 56 7.255 -1.275 -0.858 1.00 0.00 O ATOM 879 CB LEU A 56 4.858 -0.098 -2.554 1.00 0.00 C ATOM 880 CG LEU A 56 3.599 0.450 -1.882 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.062 1.648 -2.650 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.537 -0.635 -1.772 1.00 0.00 C ATOM 0 H LEU A 56 7.557 -0.561 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 56 6.044 1.554 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.773 0.066 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.889 -1.176 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 56 3.861 0.777 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.166 2.024 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.818 2.432 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.816 1.347 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.648 -0.227 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.278 -0.993 -2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.923 -1.463 -1.178 1.00 0.00 H new ATOM 894 N LEU A 57 6.342 0.398 0.338 1.00 0.00 N ATOM 895 CA LEU A 57 6.721 -0.171 1.627 1.00 0.00 C ATOM 896 C LEU A 57 5.638 0.080 2.672 1.00 0.00 C ATOM 897 O LEU A 57 5.444 1.211 3.121 1.00 0.00 O ATOM 898 CB LEU A 57 8.049 0.423 2.099 1.00 0.00 C ATOM 899 CG LEU A 57 9.199 0.378 1.092 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.280 1.379 1.472 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.778 -1.026 1.006 1.00 0.00 C ATOM 0 H LEU A 57 5.837 1.282 0.399 1.00 0.00 H new ATOM 0 HA LEU A 57 6.837 -1.248 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.880 1.462 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.361 -0.105 3.000 1.00 0.00 H new ATOM 0 HG LEU A 57 8.808 0.649 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.090 1.333 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.858 2.384 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.667 1.138 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.595 -1.039 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.153 -1.325 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.001 -1.721 0.687 1.00 0.00 H new ATOM 913 N LEU A 58 4.938 -0.981 3.058 1.00 0.00 N ATOM 914 CA LEU A 58 3.876 -0.877 4.053 1.00 0.00 C ATOM 915 C LEU A 58 4.396 -1.228 5.443 1.00 0.00 C ATOM 916 O LEU A 58 4.849 -2.347 5.683 1.00 0.00 O ATOM 917 CB LEU A 58 2.712 -1.797 3.683 1.00 0.00 C ATOM 918 CG LEU A 58 1.316 -1.294 4.051 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.248 -2.186 3.435 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.153 -1.229 5.562 1.00 0.00 C ATOM 0 H LEU A 58 5.087 -1.923 2.697 1.00 0.00 H new ATOM 0 HA LEU A 58 3.525 0.155 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.741 -1.972 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.869 -2.761 4.168 1.00 0.00 H new ATOM 0 HG LEU A 58 1.196 -0.288 3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.739 -1.813 3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.351 -2.181 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.366 -3.204 3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.153 -0.869 5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.294 -2.223 5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.895 -0.548 5.979 1.00 0.00 H new ATOM 932 N PHE A 59 4.326 -0.265 6.356 1.00 0.00 N ATOM 933 CA PHE A 59 4.789 -0.472 7.723 1.00 0.00 C ATOM 934 C PHE A 59 3.696 -1.111 8.576 1.00 0.00 C ATOM 935 O PHE A 59 2.945 -0.418 9.262 1.00 0.00 O ATOM 936 CB PHE A 59 5.225 0.856 8.344 1.00 0.00 C ATOM 937 CG PHE A 59 6.219 1.611 7.508 1.00 0.00 C ATOM 938 CD1 PHE A 59 6.973 0.958 6.547 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.400 2.973 7.685 1.00 0.00 C ATOM 940 CE1 PHE A 59 7.888 1.649 5.775 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.313 3.670 6.916 1.00 0.00 C ATOM 942 CZ PHE A 59 8.059 3.007 5.961 1.00 0.00 C ATOM 0 H PHE A 59 3.953 0.667 6.174 1.00 0.00 H new ATOM 0 HA PHE A 59 5.644 -1.148 7.692 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.346 1.481 8.501 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.659 0.664 9.325 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.844 -0.104 6.399 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.821 3.496 8.432 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.468 1.128 5.028 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.443 4.732 7.062 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.775 3.549 5.361 1.00 0.00 H new ATOM 952 N ASP A 60 3.614 -2.436 8.527 1.00 0.00 N ATOM 953 CA ASP A 60 2.615 -3.169 9.295 1.00 0.00 C ATOM 954 C ASP A 60 3.046 -3.314 10.751 1.00 0.00 C ATOM 955 O ASP A 60 2.906 -4.382 11.347 1.00 0.00 O ATOM 956 CB ASP A 60 2.380 -4.550 8.680 1.00 0.00 C ATOM 957 CG ASP A 60 3.553 -5.486 8.896 1.00 0.00 C ATOM 958 OD1 ASP A 60 4.663 -5.164 8.425 1.00 0.00 O ATOM 959 OD2 ASP A 60 3.359 -6.542 9.535 1.00 0.00 O ATOM 0 H ASP A 60 4.228 -3.024 7.963 1.00 0.00 H new ATOM 0 HA ASP A 60 1.684 -2.603 9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.483 -4.990 9.115 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.197 -4.442 7.611 1.00 0.00 H new ATOM 964 N ARG A 61 3.571 -2.232 11.317 1.00 0.00 N ATOM 965 CA ARG A 61 4.025 -2.239 12.702 1.00 0.00 C ATOM 966 C ARG A 61 3.463 -1.043 13.465 1.00 0.00 C ATOM 967 O ARG A 61 3.185 -1.131 14.662 1.00 0.00 O ATOM 968 CB ARG A 61 5.554 -2.222 12.761 1.00 0.00 C ATOM 969 CG ARG A 61 6.210 -3.250 11.853 1.00 0.00 C ATOM 970 CD ARG A 61 5.860 -4.668 12.274 1.00 0.00 C ATOM 971 NE ARG A 61 6.838 -5.218 13.210 1.00 0.00 N ATOM 972 CZ ARG A 61 6.744 -6.431 13.743 1.00 0.00 C ATOM 973 NH1 ARG A 61 5.722 -7.217 13.433 1.00 0.00 N ATOM 974 NH2 ARG A 61 7.674 -6.860 14.586 1.00 0.00 N ATOM 0 H ARG A 61 3.692 -1.340 10.838 1.00 0.00 H new ATOM 0 HA ARG A 61 3.660 -3.152 13.172 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.909 -1.228 12.487 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.872 -2.402 13.788 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.890 -3.085 10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.292 -3.119 11.875 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.872 -4.676 12.735 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.805 -5.305 11.391 1.00 0.00 H new ATOM 0 HE ARG A 61 7.637 -4.639 13.468 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.006 -6.890 12.784 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.652 -8.148 13.843 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.462 -6.258 14.825 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.601 -7.792 14.995 1.00 0.00 H new ATOM 988 N HIS A 62 3.298 0.074 12.764 1.00 0.00 N ATOM 989 CA HIS A 62 2.768 1.289 13.375 1.00 0.00 C ATOM 990 C HIS A 62 1.256 1.193 13.551 1.00 0.00 C ATOM 991 O HIS A 62 0.511 0.947 12.602 1.00 0.00 O ATOM 992 CB HIS A 62 3.119 2.508 12.523 1.00 0.00 C ATOM 993 CG HIS A 62 3.314 3.761 13.320 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.292 4.644 13.597 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.422 4.275 13.903 1.00 0.00 C ATOM 996 CE1 HIS A 62 2.764 5.648 14.315 1.00 0.00 C ATOM 997 NE2 HIS A 62 4.054 5.448 14.514 1.00 0.00 N ATOM 0 H HIS A 62 3.523 0.164 11.773 1.00 0.00 H new ATOM 0 HA HIS A 62 3.224 1.401 14.359 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.030 2.299 11.962 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.326 2.671 11.793 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.412 3.843 13.890 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.192 6.489 14.677 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.676 6.065 15.037 1.00 0.00 H new ATOM 1005 N PRO A 63 0.790 1.393 14.793 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.638 1.334 15.122 1.00 0.00 C ATOM 1007 C PRO A 63 -1.416 2.507 14.536 1.00 0.00 C ATOM 1008 O PRO A 63 -2.618 2.642 14.764 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.652 1.394 16.651 1.00 0.00 C ATOM 1010 CG PRO A 63 0.614 2.090 17.015 1.00 0.00 C ATOM 1011 CD PRO A 63 1.621 1.692 15.971 1.00 0.00 C ATOM 0 HA PRO A 63 -1.115 0.443 14.712 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.522 1.938 17.018 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.694 0.395 17.086 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.474 3.171 17.030 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.948 1.797 18.011 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.330 2.495 15.769 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.202 0.825 16.283 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.724 3.352 13.780 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.351 4.514 13.160 1.00 0.00 C ATOM 1021 C ASP A 64 -1.353 4.383 11.640 1.00 0.00 C ATOM 1022 O ASP A 64 -1.492 5.372 10.922 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.624 5.794 13.573 1.00 0.00 C ATOM 1024 CG ASP A 64 -1.537 7.004 13.574 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -2.538 6.992 12.828 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -1.251 7.964 14.321 1.00 0.00 O ATOM 0 H ASP A 64 0.272 3.254 13.581 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.384 4.566 13.504 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.199 5.662 14.568 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.209 5.971 12.892 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.197 3.155 11.156 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.182 2.917 9.725 1.00 0.00 C ATOM 1033 C GLY A 65 -0.248 3.858 8.990 1.00 0.00 C ATOM 1034 O GLY A 65 -0.615 4.991 8.677 1.00 0.00 O ATOM 0 H GLY A 65 -1.081 2.320 11.730 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.879 1.887 9.534 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.192 3.031 9.330 1.00 0.00 H new ATOM 1038 N VAL A 66 0.965 3.390 8.715 1.00 0.00 N ATOM 1039 CA VAL A 66 1.956 4.198 8.014 1.00 0.00 C ATOM 1040 C VAL A 66 2.530 3.447 6.818 1.00 0.00 C ATOM 1041 O VAL A 66 3.014 2.323 6.951 1.00 0.00 O ATOM 1042 CB VAL A 66 3.109 4.609 8.949 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.229 5.268 8.158 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.601 5.536 10.043 1.00 0.00 C ATOM 0 H VAL A 66 1.285 2.455 8.967 1.00 0.00 H new ATOM 0 HA VAL A 66 1.444 5.095 7.665 1.00 0.00 H new ATOM 0 HB VAL A 66 3.510 3.712 9.421 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.035 5.552 8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.610 4.568 7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.846 6.157 7.657 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.428 5.817 10.695 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.174 6.432 9.592 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.836 5.024 10.627 1.00 0.00 H new ATOM 1054 N ALA A 67 2.473 4.076 5.649 1.00 0.00 N ATOM 1055 CA ALA A 67 2.990 3.468 4.428 1.00 0.00 C ATOM 1056 C ALA A 67 3.897 4.435 3.675 1.00 0.00 C ATOM 1057 O ALA A 67 3.743 5.652 3.777 1.00 0.00 O ATOM 1058 CB ALA A 67 1.843 3.015 3.538 1.00 0.00 C ATOM 0 H ALA A 67 2.074 5.006 5.521 1.00 0.00 H new ATOM 0 HA ALA A 67 3.584 2.598 4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.243 2.563 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.236 2.283 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.226 3.874 3.274 1.00 0.00 H new ATOM 1064 N SER A 68 4.843 3.886 2.920 1.00 0.00 N ATOM 1065 CA SER A 68 5.778 4.700 2.153 1.00 0.00 C ATOM 1066 C SER A 68 5.717 4.347 0.670 1.00 0.00 C ATOM 1067 O SER A 68 6.068 3.237 0.270 1.00 0.00 O ATOM 1068 CB SER A 68 7.203 4.509 2.676 1.00 0.00 C ATOM 1069 OG SER A 68 8.021 5.617 2.346 1.00 0.00 O ATOM 0 H SER A 68 4.982 2.880 2.823 1.00 0.00 H new ATOM 0 HA SER A 68 5.492 5.745 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.182 4.378 3.758 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.630 3.599 2.253 1.00 0.00 H new ATOM 0 HG SER A 68 8.926 5.471 2.693 1.00 0.00 H new ATOM 1075 N VAL A 69 5.268 5.300 -0.141 1.00 0.00 N ATOM 1076 CA VAL A 69 5.161 5.091 -1.580 1.00 0.00 C ATOM 1077 C VAL A 69 6.209 5.903 -2.333 1.00 0.00 C ATOM 1078 O VAL A 69 6.139 7.131 -2.382 1.00 0.00 O ATOM 1079 CB VAL A 69 3.762 5.471 -2.100 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.477 4.775 -3.422 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.699 5.128 -1.067 1.00 0.00 C ATOM 0 H VAL A 69 4.973 6.224 0.174 1.00 0.00 H new ATOM 0 HA VAL A 69 5.331 4.029 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 69 3.736 6.547 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.484 5.055 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.222 5.075 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.520 3.695 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.717 5.403 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.722 4.058 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.896 5.677 -0.146 1.00 0.00 H new ATOM 1091 N SER A 70 7.180 5.209 -2.918 1.00 0.00 N ATOM 1092 CA SER A 70 8.245 5.867 -3.666 1.00 0.00 C ATOM 1093 C SER A 70 7.778 6.229 -5.072 1.00 0.00 C ATOM 1094 O SER A 70 6.963 5.525 -5.668 1.00 0.00 O ATOM 1095 CB SER A 70 9.477 4.962 -3.743 1.00 0.00 C ATOM 1096 OG SER A 70 10.540 5.604 -4.424 1.00 0.00 O ATOM 0 H SER A 70 7.251 4.192 -2.888 1.00 0.00 H new ATOM 0 HA SER A 70 8.509 6.786 -3.142 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.797 4.691 -2.737 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.220 4.035 -4.256 1.00 0.00 H new ATOM 0 HG SER A 70 11.315 5.006 -4.458 1.00 0.00 H new ATOM 1102 N PHE A 71 8.301 7.333 -5.596 1.00 0.00 N ATOM 1103 CA PHE A 71 7.937 7.791 -6.932 1.00 0.00 C ATOM 1104 C PHE A 71 9.182 8.037 -7.780 1.00 0.00 C ATOM 1105 O PHE A 71 10.268 8.274 -7.253 1.00 0.00 O ATOM 1106 CB PHE A 71 7.104 9.071 -6.846 1.00 0.00 C ATOM 1107 CG PHE A 71 5.660 8.825 -6.514 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.239 8.767 -5.195 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.723 8.654 -7.520 1.00 0.00 C ATOM 1110 CE1 PHE A 71 3.911 8.540 -4.886 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.393 8.427 -7.217 1.00 0.00 C ATOM 1112 CZ PHE A 71 2.987 8.371 -5.899 1.00 0.00 C ATOM 0 H PHE A 71 8.978 7.927 -5.116 1.00 0.00 H new ATOM 0 HA PHE A 71 7.343 7.011 -7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.536 9.726 -6.089 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.165 9.599 -7.797 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.957 8.901 -4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.035 8.699 -8.553 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.596 8.495 -3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.673 8.294 -8.011 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.949 8.195 -5.660 1.00 0.00 H new ATOM 1122 N ARG A 72 9.014 7.977 -9.097 1.00 0.00 N ATOM 1123 CA ARG A 72 10.123 8.191 -10.019 1.00 0.00 C ATOM 1124 C ARG A 72 10.328 9.679 -10.287 1.00 0.00 C ATOM 1125 O ARG A 72 11.458 10.168 -10.300 1.00 0.00 O ATOM 1126 CB ARG A 72 9.869 7.456 -11.336 1.00 0.00 C ATOM 1127 CG ARG A 72 10.887 7.775 -12.418 1.00 0.00 C ATOM 1128 CD ARG A 72 12.293 7.380 -11.994 1.00 0.00 C ATOM 1129 NE ARG A 72 13.282 7.686 -13.024 1.00 0.00 N ATOM 1130 CZ ARG A 72 14.488 7.132 -13.072 1.00 0.00 C ATOM 1131 NH1 ARG A 72 14.853 6.248 -12.154 1.00 0.00 N ATOM 1132 NH2 ARG A 72 15.333 7.462 -14.041 1.00 0.00 N ATOM 0 H ARG A 72 8.121 7.782 -9.549 1.00 0.00 H new ATOM 0 HA ARG A 72 11.027 7.794 -9.558 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.874 6.382 -11.150 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.874 7.712 -11.699 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.621 7.250 -13.335 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.859 8.841 -12.642 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.554 7.903 -11.074 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.318 6.313 -11.773 1.00 0.00 H new ATOM 0 HE ARG A 72 13.033 8.362 -13.746 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.207 5.991 -11.408 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.780 5.824 -12.194 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.056 8.142 -14.749 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.259 7.036 -14.077 1.00 0.00 H new ATOM 1146 N ASP A 73 9.229 10.394 -10.499 1.00 0.00 N ATOM 1147 CA ASP A 73 9.287 11.826 -10.766 1.00 0.00 C ATOM 1148 C ASP A 73 8.642 12.617 -9.632 1.00 0.00 C ATOM 1149 O ASP A 73 7.622 12.220 -9.068 1.00 0.00 O ATOM 1150 CB ASP A 73 8.593 12.149 -12.090 1.00 0.00 C ATOM 1151 CG ASP A 73 7.216 11.523 -12.189 1.00 0.00 C ATOM 1152 OD1 ASP A 73 6.985 10.489 -11.526 1.00 0.00 O ATOM 1153 OD2 ASP A 73 6.369 12.066 -12.929 1.00 0.00 O ATOM 0 H ASP A 73 8.286 10.005 -10.491 1.00 0.00 H new ATOM 0 HA ASP A 73 10.336 12.115 -10.835 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.506 13.230 -12.197 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.210 11.795 -12.916 1.00 0.00 H new ATOM 1158 N PRO A 74 9.249 13.763 -9.289 1.00 0.00 N ATOM 1159 CA PRO A 74 8.751 14.633 -8.219 1.00 0.00 C ATOM 1160 C PRO A 74 7.445 15.324 -8.595 1.00 0.00 C ATOM 1161 O PRO A 74 6.660 15.701 -7.726 1.00 0.00 O ATOM 1162 CB PRO A 74 9.871 15.662 -8.049 1.00 0.00 C ATOM 1163 CG PRO A 74 10.560 15.694 -9.369 1.00 0.00 C ATOM 1164 CD PRO A 74 10.468 14.297 -9.918 1.00 0.00 C ATOM 0 HA PRO A 74 8.525 14.074 -7.311 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.472 16.642 -7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.556 15.373 -7.252 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.084 16.409 -10.040 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.600 16.003 -9.259 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.392 14.297 -11.005 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.346 13.705 -9.659 1.00 0.00 H new ATOM 1172 N GLU A 75 7.219 15.485 -9.895 1.00 0.00 N ATOM 1173 CA GLU A 75 6.007 16.131 -10.385 1.00 0.00 C ATOM 1174 C GLU A 75 4.770 15.313 -10.024 1.00 0.00 C ATOM 1175 O GLU A 75 3.739 15.864 -9.642 1.00 0.00 O ATOM 1176 CB GLU A 75 6.081 16.323 -11.901 1.00 0.00 C ATOM 1177 CG GLU A 75 7.315 17.082 -12.359 1.00 0.00 C ATOM 1178 CD GLU A 75 7.179 17.618 -13.771 1.00 0.00 C ATOM 1179 OE1 GLU A 75 7.144 16.802 -14.715 1.00 0.00 O ATOM 1180 OE2 GLU A 75 7.107 18.854 -13.931 1.00 0.00 O ATOM 0 H GLU A 75 7.859 15.177 -10.627 1.00 0.00 H new ATOM 0 HA GLU A 75 5.928 17.107 -9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.066 15.346 -12.384 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.191 16.857 -12.235 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.502 17.911 -11.676 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.182 16.424 -12.306 1.00 0.00 H new ATOM 1187 N GLU A 76 4.883 13.994 -10.150 1.00 0.00 N ATOM 1188 CA GLU A 76 3.774 13.100 -9.839 1.00 0.00 C ATOM 1189 C GLU A 76 3.486 13.091 -8.340 1.00 0.00 C ATOM 1190 O GLU A 76 2.427 13.533 -7.897 1.00 0.00 O ATOM 1191 CB GLU A 76 4.084 11.681 -10.319 1.00 0.00 C ATOM 1192 CG GLU A 76 2.848 10.888 -10.710 1.00 0.00 C ATOM 1193 CD GLU A 76 2.474 11.074 -12.168 1.00 0.00 C ATOM 1194 OE1 GLU A 76 1.720 12.022 -12.471 1.00 0.00 O ATOM 1195 OE2 GLU A 76 2.935 10.270 -13.006 1.00 0.00 O ATOM 0 H GLU A 76 5.730 13.522 -10.465 1.00 0.00 H new ATOM 0 HA GLU A 76 2.889 13.466 -10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.757 11.735 -11.175 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.614 11.147 -9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.023 9.830 -10.516 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.011 11.193 -10.082 1.00 0.00 H new ATOM 1202 N ALA A 77 4.438 12.582 -7.564 1.00 0.00 N ATOM 1203 CA ALA A 77 4.289 12.516 -6.116 1.00 0.00 C ATOM 1204 C ALA A 77 3.713 13.815 -5.563 1.00 0.00 C ATOM 1205 O ALA A 77 2.641 13.822 -4.958 1.00 0.00 O ATOM 1206 CB ALA A 77 5.628 12.209 -5.461 1.00 0.00 C ATOM 0 H ALA A 77 5.320 12.209 -7.915 1.00 0.00 H new ATOM 0 HA ALA A 77 3.590 11.712 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.502 12.163 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.000 11.251 -5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.343 12.993 -5.710 1.00 0.00 H new ATOM 1212 N ASP A 78 4.431 14.913 -5.775 1.00 0.00 N ATOM 1213 CA ASP A 78 3.991 16.218 -5.298 1.00 0.00 C ATOM 1214 C ASP A 78 2.508 16.431 -5.587 1.00 0.00 C ATOM 1215 O ASP A 78 1.809 17.106 -4.831 1.00 0.00 O ATOM 1216 CB ASP A 78 4.815 17.329 -5.952 1.00 0.00 C ATOM 1217 CG ASP A 78 4.593 18.678 -5.297 1.00 0.00 C ATOM 1218 OD1 ASP A 78 3.680 19.408 -5.737 1.00 0.00 O ATOM 1219 OD2 ASP A 78 5.331 19.003 -4.344 1.00 0.00 O ATOM 0 H ASP A 78 5.320 14.925 -6.274 1.00 0.00 H new ATOM 0 HA ASP A 78 4.141 16.252 -4.219 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.873 17.072 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.556 17.395 -7.009 1.00 0.00 H new ATOM 1224 N TYR A 79 2.036 15.852 -6.686 1.00 0.00 N ATOM 1225 CA TYR A 79 0.638 15.981 -7.077 1.00 0.00 C ATOM 1226 C TYR A 79 -0.196 14.841 -6.502 1.00 0.00 C ATOM 1227 O TYR A 79 -1.408 14.970 -6.327 1.00 0.00 O ATOM 1228 CB TYR A 79 0.512 16.001 -8.601 1.00 0.00 C ATOM 1229 CG TYR A 79 -0.918 16.038 -9.091 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -1.934 16.545 -8.290 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.253 15.564 -10.353 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.242 16.580 -8.733 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.558 15.597 -10.805 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.549 16.105 -9.991 1.00 0.00 C ATOM 1235 OH TYR A 79 -4.851 16.138 -10.436 1.00 0.00 O ATOM 0 H TYR A 79 2.601 15.289 -7.321 1.00 0.00 H new ATOM 0 HA TYR A 79 0.261 16.922 -6.676 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.043 16.870 -8.989 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.004 15.118 -9.009 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.697 16.918 -7.305 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.480 15.163 -10.992 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.020 16.977 -8.098 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.801 15.227 -11.790 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.897 15.767 -11.342 1.00 0.00 H new ATOM 1245 N CYS A 80 0.462 13.725 -6.209 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.217 12.560 -5.653 1.00 0.00 C ATOM 1247 C CYS A 80 -0.430 12.720 -4.151 1.00 0.00 C ATOM 1248 O CYS A 80 -1.286 12.059 -3.562 1.00 0.00 O ATOM 1249 CB CYS A 80 0.590 11.291 -5.933 1.00 0.00 C ATOM 1250 SG CYS A 80 1.053 11.079 -7.668 1.00 0.00 S ATOM 0 H CYS A 80 1.465 13.602 -6.347 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.192 12.475 -6.133 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.495 11.307 -5.326 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.008 10.426 -5.615 1.00 0.00 H new ATOM 0 HG CYS A 80 0.024 10.662 -8.344 1.00 0.00 H new ATOM 1256 N ILE A 81 0.355 13.599 -3.538 1.00 0.00 N ATOM 1257 CA ILE A 81 0.252 13.845 -2.105 1.00 0.00 C ATOM 1258 C ILE A 81 -0.946 14.732 -1.784 1.00 0.00 C ATOM 1259 O ILE A 81 -1.473 14.701 -0.672 1.00 0.00 O ATOM 1260 CB ILE A 81 1.529 14.508 -1.554 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.525 16.007 -1.861 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.765 13.844 -2.142 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.784 16.832 -0.833 1.00 0.00 C ATOM 0 H ILE A 81 1.069 14.153 -4.011 1.00 0.00 H new ATOM 0 HA ILE A 81 0.121 12.874 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 81 1.551 14.379 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.555 16.359 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.072 16.168 -2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.660 14.323 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.771 12.787 -1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.751 13.946 -3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.822 17.884 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.255 16.506 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.250 16.701 0.144 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.372 15.521 -2.766 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.509 16.416 -2.587 1.00 0.00 C ATOM 1277 C GLN A 82 -3.810 15.729 -2.990 1.00 0.00 C ATOM 1278 O GLN A 82 -4.892 16.116 -2.547 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.316 17.691 -3.410 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.767 17.437 -4.805 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.723 18.694 -5.652 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.695 19.035 -6.326 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.593 19.390 -5.621 1.00 0.00 N ATOM 0 H GLN A 82 -0.947 15.558 -3.693 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.570 16.679 -1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.272 18.208 -3.493 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.638 18.358 -2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.763 17.021 -4.726 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.383 16.689 -5.303 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.188 19.070 -5.048 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.505 20.245 -6.170 1.00 0.00 H new ATOM 1292 N THR A 83 -3.698 14.708 -3.834 1.00 0.00 N ATOM 1293 CA THR A 83 -4.865 13.968 -4.298 1.00 0.00 C ATOM 1294 C THR A 83 -5.086 12.711 -3.465 1.00 0.00 C ATOM 1295 O THR A 83 -6.194 12.175 -3.413 1.00 0.00 O ATOM 1296 CB THR A 83 -4.726 13.571 -5.779 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.902 14.721 -6.614 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.747 12.507 -6.152 1.00 0.00 C ATOM 0 H THR A 83 -2.810 14.375 -4.210 1.00 0.00 H new ATOM 0 HA THR A 83 -5.724 14.630 -4.186 1.00 0.00 H new ATOM 0 HB THR A 83 -3.727 13.163 -5.930 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.072 14.901 -7.103 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.630 12.243 -7.203 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.592 11.622 -5.535 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.753 12.893 -5.985 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.026 12.245 -2.814 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.105 11.049 -1.981 1.00 0.00 C ATOM 1308 C LEU A 84 -4.364 11.416 -0.524 1.00 0.00 C ATOM 1309 O LEU A 84 -4.615 10.547 0.311 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.811 10.240 -2.093 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.517 9.630 -3.464 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.113 9.048 -3.499 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.548 8.564 -3.805 1.00 0.00 C ATOM 0 H LEU A 84 -3.102 12.676 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.938 10.443 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.977 10.886 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.845 9.435 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.579 10.419 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.922 8.618 -4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.387 9.837 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.022 8.271 -2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.323 8.141 -4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.518 7.775 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.542 9.011 -3.823 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.304 12.710 -0.225 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.535 13.193 1.131 1.00 0.00 C ATOM 1327 C ASP A 85 -6.006 13.056 1.513 1.00 0.00 C ATOM 1328 O ASP A 85 -6.393 13.345 2.644 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.096 14.653 1.257 1.00 0.00 C ATOM 1330 CG ASP A 85 -5.207 15.623 0.907 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -5.949 15.353 -0.060 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -5.335 16.653 1.602 1.00 0.00 O ATOM 0 H ASP A 85 -4.097 13.443 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.943 12.584 1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.760 14.842 2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.243 14.831 0.603 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.821 12.614 0.560 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.240 12.448 0.816 1.00 0.00 C ATOM 1339 C GLY A 86 -8.733 11.058 0.468 1.00 0.00 C ATOM 1340 O GLY A 86 -9.936 10.798 0.480 1.00 0.00 O ATOM 0 H GLY A 86 -6.524 12.368 -0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.442 12.649 1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.799 13.184 0.238 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.802 10.162 0.157 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.149 8.791 -0.198 1.00 0.00 C ATOM 1346 C ARG A 87 -8.816 8.078 0.974 1.00 0.00 C ATOM 1347 O ARG A 87 -8.735 8.531 2.116 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.899 8.023 -0.632 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.457 8.332 -2.053 1.00 0.00 C ATOM 1350 CD ARG A 87 -7.166 7.443 -3.063 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.471 7.978 -3.441 1.00 0.00 N ATOM 1352 CZ ARG A 87 -9.389 7.279 -4.101 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -9.144 6.024 -4.453 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.553 7.835 -4.409 1.00 0.00 N ATOM 0 H ARG A 87 -6.802 10.361 0.144 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.854 8.824 -1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.083 8.257 0.052 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.091 6.954 -0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.663 9.378 -2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.379 8.193 -2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.545 7.339 -3.953 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.291 6.445 -2.643 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.690 8.941 -3.185 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.250 5.593 -4.217 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.850 5.489 -4.959 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.744 8.800 -4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.257 7.298 -4.915 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.474 6.962 0.683 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.156 6.186 1.714 1.00 0.00 C ATOM 1370 C TRP A 88 -9.710 4.729 1.682 1.00 0.00 C ATOM 1371 O TRP A 88 -9.872 4.042 0.673 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.671 6.273 1.527 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.232 7.627 1.844 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.147 8.750 1.072 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.963 7.998 3.018 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.780 9.798 1.696 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.290 9.362 2.891 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.374 7.311 4.163 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -14.007 10.050 3.866 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -14.085 7.994 5.131 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.397 9.352 4.977 1.00 0.00 C ATOM 0 H TRP A 88 -9.550 6.574 -0.257 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.892 6.606 2.685 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.918 6.017 0.497 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.152 5.530 2.164 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.655 8.806 0.112 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.858 10.747 1.329 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.140 6.264 4.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.247 11.097 3.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.406 7.473 6.021 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.956 9.858 5.750 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.148 4.262 2.792 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.678 2.885 2.890 1.00 0.00 C ATOM 1394 C PHE A 89 -9.371 2.154 4.037 1.00 0.00 C ATOM 1395 O PHE A 89 -9.552 2.707 5.121 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.162 2.854 3.094 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.383 2.968 1.815 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.649 3.988 0.915 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.384 2.057 1.513 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.934 4.094 -0.264 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.666 2.159 0.336 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.941 3.179 -0.552 1.00 0.00 C ATOM 0 H PHE A 89 -9.007 4.817 3.636 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.923 2.377 1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.876 3.670 3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.890 1.925 3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.423 4.708 1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.164 1.258 2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.152 4.892 -0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.891 1.441 0.112 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.380 3.261 -1.471 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.758 0.907 3.788 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.427 0.120 4.807 1.00 0.00 C ATOM 1414 C GLY A 90 -11.766 0.708 5.206 1.00 0.00 C ATOM 1415 O GLY A 90 -12.430 0.201 6.110 1.00 0.00 O ATOM 0 H GLY A 90 -9.620 0.428 2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.574 -0.895 4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.787 0.051 5.687 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.164 1.783 4.532 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.430 2.423 4.838 1.00 0.00 C ATOM 1421 C GLY A 91 -13.251 3.804 5.437 1.00 0.00 C ATOM 1422 O GLY A 91 -14.196 4.591 5.494 1.00 0.00 O ATOM 0 H GLY A 91 -11.633 2.222 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.025 2.499 3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.991 1.798 5.533 1.00 0.00 H new ATOM 1426 N ARG A 92 -12.036 4.099 5.887 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.737 5.393 6.489 1.00 0.00 C ATOM 1428 C ARG A 92 -10.848 6.227 5.571 1.00 0.00 C ATOM 1429 O ARG A 92 -10.163 5.690 4.700 1.00 0.00 O ATOM 1430 CB ARG A 92 -11.054 5.204 7.844 1.00 0.00 C ATOM 1431 CG ARG A 92 -9.693 4.534 7.752 1.00 0.00 C ATOM 1432 CD ARG A 92 -9.243 3.999 9.103 1.00 0.00 C ATOM 1433 NE ARG A 92 -9.968 2.789 9.481 1.00 0.00 N ATOM 1434 CZ ARG A 92 -9.746 1.599 8.935 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -8.825 1.459 7.992 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -10.447 0.544 9.332 1.00 0.00 N ATOM 0 H ARG A 92 -11.242 3.459 5.846 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.678 5.923 6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.939 6.177 8.322 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.701 4.607 8.487 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.736 3.717 7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.959 5.248 7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.174 3.786 9.071 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.393 4.764 9.864 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.684 2.862 10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.284 2.267 7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.657 0.543 7.575 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.157 0.647 10.057 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.276 -0.370 8.912 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.865 7.540 5.772 1.00 0.00 N ATOM 1451 CA GLN A 93 -10.061 8.448 4.962 1.00 0.00 C ATOM 1452 C GLN A 93 -8.597 8.407 5.388 1.00 0.00 C ATOM 1453 O GLN A 93 -8.276 7.977 6.497 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.597 9.876 5.073 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.382 10.706 3.818 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.439 12.197 4.087 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.534 12.628 5.236 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.381 12.993 3.026 1.00 0.00 N ATOM 0 H GLN A 93 -11.427 7.999 6.489 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.127 8.123 3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.663 9.839 5.295 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.113 10.372 5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.414 10.456 3.383 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.140 10.445 3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.302 12.592 2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.415 14.005 3.146 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.715 8.855 4.502 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.286 8.870 4.788 1.00 0.00 C ATOM 1469 C ILE A 94 -5.640 10.161 4.296 1.00 0.00 C ATOM 1470 O ILE A 94 -6.173 10.840 3.417 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.569 7.671 4.138 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.252 7.972 2.672 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.423 6.417 4.255 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.771 6.765 1.898 1.00 0.00 C ATOM 0 H ILE A 94 -7.965 9.213 3.580 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.181 8.803 5.871 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.630 7.498 4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.145 8.370 2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.490 8.750 2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.903 5.578 3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.602 6.196 5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.376 6.577 3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.565 7.052 0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.860 6.379 2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.540 5.993 1.913 1.00 0.00 H new ATOM 1486 N THR A 95 -4.487 10.495 4.867 1.00 0.00 N ATOM 1487 CA THR A 95 -3.768 11.704 4.487 1.00 0.00 C ATOM 1488 C THR A 95 -2.468 11.366 3.765 1.00 0.00 C ATOM 1489 O THR A 95 -1.914 10.281 3.939 1.00 0.00 O ATOM 1490 CB THR A 95 -3.448 12.577 5.715 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.820 13.795 5.300 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.538 11.836 6.683 1.00 0.00 C ATOM 0 H THR A 95 -4.031 9.945 5.595 1.00 0.00 H new ATOM 0 HA THR A 95 -4.420 12.261 3.815 1.00 0.00 H new ATOM 0 HB THR A 95 -4.384 12.806 6.224 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.621 14.345 6.086 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.326 12.472 7.542 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.031 10.924 7.020 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.605 11.580 6.182 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.986 12.303 2.955 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.749 12.105 2.209 1.00 0.00 C ATOM 1502 C ALA A 96 0.202 13.281 2.402 1.00 0.00 C ATOM 1503 O ALA A 96 -0.229 14.402 2.670 1.00 0.00 O ATOM 1504 CB ALA A 96 -1.051 11.904 0.731 1.00 0.00 C ATOM 0 H ALA A 96 -2.433 13.206 2.799 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.260 11.210 2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.119 11.757 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.687 11.027 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.564 12.783 0.342 1.00 0.00 H new ATOM 1510 N GLN A 97 1.497 13.017 2.264 1.00 0.00 N ATOM 1511 CA GLN A 97 2.509 14.054 2.425 1.00 0.00 C ATOM 1512 C GLN A 97 3.866 13.574 1.921 1.00 0.00 C ATOM 1513 O GLN A 97 4.081 12.377 1.732 1.00 0.00 O ATOM 1514 CB GLN A 97 2.616 14.469 3.894 1.00 0.00 C ATOM 1515 CG GLN A 97 2.718 13.294 4.852 1.00 0.00 C ATOM 1516 CD GLN A 97 1.365 12.830 5.354 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.911 13.243 6.422 1.00 0.00 O ATOM 1518 NE2 GLN A 97 0.711 11.968 4.584 1.00 0.00 N ATOM 0 H GLN A 97 1.870 12.094 2.041 1.00 0.00 H new ATOM 0 HA GLN A 97 2.206 14.917 1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.491 15.107 4.020 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.744 15.068 4.158 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.219 12.465 4.352 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.339 13.576 5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.125 11.652 3.707 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.205 11.622 4.870 1.00 0.00 H new ATOM 1527 N ALA A 98 4.778 14.516 1.704 1.00 0.00 N ATOM 1528 CA ALA A 98 6.115 14.189 1.223 1.00 0.00 C ATOM 1529 C ALA A 98 7.074 13.951 2.385 1.00 0.00 C ATOM 1530 O ALA A 98 7.156 14.759 3.309 1.00 0.00 O ATOM 1531 CB ALA A 98 6.638 15.298 0.323 1.00 0.00 C ATOM 0 H ALA A 98 4.615 15.512 1.854 1.00 0.00 H new ATOM 0 HA ALA A 98 6.051 13.267 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.637 15.040 -0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.972 15.418 -0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.680 16.232 0.883 1.00 0.00 H new ATOM 1537 N TRP A 99 7.794 12.837 2.331 1.00 0.00 N ATOM 1538 CA TRP A 99 8.747 12.492 3.381 1.00 0.00 C ATOM 1539 C TRP A 99 10.105 13.132 3.114 1.00 0.00 C ATOM 1540 O TRP A 99 10.420 13.493 1.980 1.00 0.00 O ATOM 1541 CB TRP A 99 8.896 10.973 3.484 1.00 0.00 C ATOM 1542 CG TRP A 99 9.762 10.538 4.628 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.642 10.913 5.935 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.880 9.646 4.565 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.619 10.309 6.689 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.391 9.526 5.872 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.499 8.936 3.532 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.490 8.725 6.171 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.590 8.143 3.830 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.076 8.042 5.140 1.00 0.00 C ATOM 0 H TRP A 99 7.737 12.157 1.573 1.00 0.00 H new ATOM 0 HA TRP A 99 8.364 12.877 4.326 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.909 10.525 3.594 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.317 10.592 2.553 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.890 11.586 6.320 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.748 10.425 7.694 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.131 9.006 2.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.866 8.646 7.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 13.077 7.591 3.039 1.00 0.00 H new ATOM 0 HH2 TRP A 99 13.930 7.412 5.340 1.00 0.00 H new ATOM 1561 N ASP A 100 10.906 13.269 4.165 1.00 0.00 N ATOM 1562 CA ASP A 100 12.232 13.865 4.044 1.00 0.00 C ATOM 1563 C ASP A 100 13.316 12.856 4.409 1.00 0.00 C ATOM 1564 O ASP A 100 14.085 12.419 3.554 1.00 0.00 O ATOM 1565 CB ASP A 100 12.344 15.099 4.940 1.00 0.00 C ATOM 1566 CG ASP A 100 13.546 15.957 4.596 1.00 0.00 C ATOM 1567 OD1 ASP A 100 13.649 16.394 3.431 1.00 0.00 O ATOM 1568 OD2 ASP A 100 14.382 16.191 5.493 1.00 0.00 O ATOM 0 H ASP A 100 10.660 12.975 5.110 1.00 0.00 H new ATOM 0 HA ASP A 100 12.375 14.166 3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.437 15.696 4.847 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.412 14.784 5.981 1.00 0.00 H new ATOM 1573 N GLY A 101 13.371 12.490 5.686 1.00 0.00 N ATOM 1574 CA GLY A 101 14.366 11.536 6.143 1.00 0.00 C ATOM 1575 C GLY A 101 14.685 11.692 7.616 1.00 0.00 C ATOM 1576 O GLY A 101 15.852 11.765 8.003 1.00 0.00 O ATOM 0 H GLY A 101 12.745 12.837 6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.007 10.524 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.279 11.661 5.561 1.00 0.00 H new ATOM 1580 N THR A 102 13.645 11.744 8.443 1.00 0.00 N ATOM 1581 CA THR A 102 13.820 11.894 9.882 1.00 0.00 C ATOM 1582 C THR A 102 13.079 10.800 10.643 1.00 0.00 C ATOM 1583 O THR A 102 13.555 10.312 11.670 1.00 0.00 O ATOM 1584 CB THR A 102 13.321 13.268 10.368 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.097 13.236 11.782 1.00 0.00 O ATOM 1586 CG2 THR A 102 12.037 13.662 9.654 1.00 0.00 C ATOM 0 H THR A 102 12.673 11.684 8.140 1.00 0.00 H new ATOM 0 HA THR A 102 14.889 11.812 10.081 1.00 0.00 H new ATOM 0 HB THR A 102 14.087 14.009 10.139 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.781 14.114 12.083 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.704 14.636 10.014 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.219 13.715 8.581 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.266 12.918 9.855 1.00 0.00 H new ATOM 1594 N THR A 103 11.913 10.417 10.134 1.00 0.00 N ATOM 1595 CA THR A 103 11.106 9.380 10.766 1.00 0.00 C ATOM 1596 C THR A 103 11.892 8.081 10.906 1.00 0.00 C ATOM 1597 O THR A 103 12.766 7.783 10.092 1.00 0.00 O ATOM 1598 CB THR A 103 9.819 9.105 9.967 1.00 0.00 C ATOM 1599 OG1 THR A 103 8.851 8.462 10.804 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.110 8.231 8.757 1.00 0.00 C ATOM 0 H THR A 103 11.506 10.809 9.285 1.00 0.00 H new ATOM 0 HA THR A 103 10.838 9.748 11.756 1.00 0.00 H new ATOM 0 HB THR A 103 9.422 10.059 9.620 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.992 8.414 10.334 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.186 8.050 8.208 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.825 8.735 8.107 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.528 7.280 9.087 1.00 0.00 H new ATOM 1608 N ASP A 104 11.575 7.312 11.942 1.00 0.00 N ATOM 1609 CA ASP A 104 12.250 6.044 12.187 1.00 0.00 C ATOM 1610 C ASP A 104 11.290 4.872 12.004 1.00 0.00 C ATOM 1611 O ASP A 104 11.408 3.849 12.678 1.00 0.00 O ATOM 1612 CB ASP A 104 12.840 6.020 13.598 1.00 0.00 C ATOM 1613 CG ASP A 104 14.037 6.939 13.741 1.00 0.00 C ATOM 1614 OD1 ASP A 104 13.832 8.151 13.959 1.00 0.00 O ATOM 1615 OD2 ASP A 104 15.179 6.445 13.636 1.00 0.00 O ATOM 0 H ASP A 104 10.855 7.545 12.625 1.00 0.00 H new ATOM 0 HA ASP A 104 13.058 5.945 11.462 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.073 6.313 14.314 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.136 5.001 13.848 1.00 0.00 H new ATOM 1620 N TYR A 105 10.340 5.031 11.089 1.00 0.00 N ATOM 1621 CA TYR A 105 9.356 3.988 10.820 1.00 0.00 C ATOM 1622 C TYR A 105 10.040 2.690 10.401 1.00 0.00 C ATOM 1623 O TYR A 105 10.072 1.721 11.158 1.00 0.00 O ATOM 1624 CB TYR A 105 8.386 4.443 9.728 1.00 0.00 C ATOM 1625 CG TYR A 105 7.616 5.694 10.085 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.112 5.881 11.366 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.392 6.688 9.141 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.407 7.023 11.697 1.00 0.00 C ATOM 1629 CE2 TYR A 105 6.689 7.834 9.463 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.199 7.996 10.742 1.00 0.00 C ATOM 1631 OH TYR A 105 5.498 9.135 11.067 1.00 0.00 O ATOM 0 H TYR A 105 10.230 5.871 10.521 1.00 0.00 H new ATOM 0 HA TYR A 105 8.798 3.803 11.738 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.944 4.620 8.809 1.00 0.00 H new ATOM 0 HB3 TYR A 105 7.680 3.638 9.522 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.274 5.121 12.116 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.774 6.563 8.138 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.021 7.153 12.697 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.524 8.598 8.717 1.00 0.00 H new ATOM 0 HH TYR A 105 5.441 9.719 10.282 1.00 0.00 H new ATOM 1641 N GLN A 106 10.585 2.681 9.189 1.00 0.00 N ATOM 1642 CA GLN A 106 11.268 1.503 8.668 1.00 0.00 C ATOM 1643 C GLN A 106 12.760 1.556 8.981 1.00 0.00 C ATOM 1644 O GLN A 106 13.383 0.530 9.256 1.00 0.00 O ATOM 1645 CB GLN A 106 11.056 1.391 7.157 1.00 0.00 C ATOM 1646 CG GLN A 106 11.868 2.394 6.352 1.00 0.00 C ATOM 1647 CD GLN A 106 13.253 1.882 6.010 1.00 0.00 C ATOM 1648 OE1 GLN A 106 14.260 2.500 6.359 1.00 0.00 O ATOM 1649 NE2 GLN A 106 13.313 0.747 5.324 1.00 0.00 N ATOM 0 H GLN A 106 10.567 3.476 8.550 1.00 0.00 H new ATOM 0 HA GLN A 106 10.844 0.624 9.154 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.318 0.383 6.836 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.998 1.532 6.936 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.335 2.632 5.431 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.957 3.321 6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.454 0.268 5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.218 0.354 5.066 1.00 0.00 H new ATOM 1658 N SER A 107 13.327 2.757 8.937 1.00 0.00 N ATOM 1659 CA SER A 107 14.747 2.943 9.212 1.00 0.00 C ATOM 1660 C SER A 107 15.148 2.233 10.502 1.00 0.00 C ATOM 1661 O SER A 107 14.301 1.907 11.333 1.00 0.00 O ATOM 1662 CB SER A 107 15.078 4.433 9.313 1.00 0.00 C ATOM 1663 OG SER A 107 16.423 4.682 8.944 1.00 0.00 O ATOM 0 H SER A 107 12.825 3.616 8.713 1.00 0.00 H new ATOM 0 HA SER A 107 15.311 2.508 8.387 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.409 5.002 8.667 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.907 4.779 10.333 1.00 0.00 H new ATOM 0 HG SER A 107 16.609 5.641 9.015 1.00 0.00 H new ATOM 1669 N GLY A 108 16.446 1.995 10.660 1.00 0.00 N ATOM 1670 CA GLY A 108 16.938 1.325 11.850 1.00 0.00 C ATOM 1671 C GLY A 108 18.051 2.096 12.531 1.00 0.00 C ATOM 1672 O GLY A 108 18.435 3.184 12.102 1.00 0.00 O ATOM 0 H GLY A 108 17.166 2.254 9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.115 1.185 12.551 1.00 0.00 H new ATOM 0 HA3 GLY A 108 17.299 0.332 11.581 1.00 0.00 H new ATOM 1676 N PRO A 109 18.588 1.528 13.621 1.00 0.00 N ATOM 1677 CA PRO A 109 19.671 2.153 14.387 1.00 0.00 C ATOM 1678 C PRO A 109 20.990 2.164 13.623 1.00 0.00 C ATOM 1679 O PRO A 109 21.511 1.113 13.249 1.00 0.00 O ATOM 1680 CB PRO A 109 19.781 1.268 15.632 1.00 0.00 C ATOM 1681 CG PRO A 109 19.254 -0.057 15.202 1.00 0.00 C ATOM 1682 CD PRO A 109 18.180 0.233 14.190 1.00 0.00 C ATOM 0 HA PRO A 109 19.462 3.200 14.608 1.00 0.00 H new ATOM 0 HB2 PRO A 109 20.813 1.192 15.974 1.00 0.00 H new ATOM 0 HB3 PRO A 109 19.201 1.675 16.460 1.00 0.00 H new ATOM 0 HG2 PRO A 109 20.044 -0.669 14.768 1.00 0.00 H new ATOM 0 HG3 PRO A 109 18.852 -0.611 16.050 1.00 0.00 H new ATOM 0 HD2 PRO A 109 18.128 -0.543 13.426 1.00 0.00 H new ATOM 0 HD3 PRO A 109 17.195 0.290 14.654 1.00 0.00 H new ATOM 1690 N SER A 110 21.527 3.358 13.394 1.00 0.00 N ATOM 1691 CA SER A 110 22.784 3.506 12.671 1.00 0.00 C ATOM 1692 C SER A 110 23.959 3.604 13.639 1.00 0.00 C ATOM 1693 O SER A 110 24.696 4.590 13.640 1.00 0.00 O ATOM 1694 CB SER A 110 22.741 4.746 11.777 1.00 0.00 C ATOM 1695 OG SER A 110 23.813 4.745 10.851 1.00 0.00 O ATOM 0 H SER A 110 21.110 4.238 13.699 1.00 0.00 H new ATOM 0 HA SER A 110 22.921 2.623 12.047 1.00 0.00 H new ATOM 0 HB2 SER A 110 21.793 4.778 11.240 1.00 0.00 H new ATOM 0 HB3 SER A 110 22.789 5.644 12.393 1.00 0.00 H new ATOM 0 HG SER A 110 24.664 4.789 11.335 1.00 0.00 H new ATOM 1701 N SER A 111 24.127 2.574 14.463 1.00 0.00 N ATOM 1702 CA SER A 111 25.210 2.545 15.439 1.00 0.00 C ATOM 1703 C SER A 111 25.514 1.113 15.870 1.00 0.00 C ATOM 1704 O SER A 111 24.710 0.206 15.661 1.00 0.00 O ATOM 1705 CB SER A 111 24.846 3.391 16.661 1.00 0.00 C ATOM 1706 OG SER A 111 25.953 3.526 17.535 1.00 0.00 O ATOM 0 H SER A 111 23.527 1.749 14.474 1.00 0.00 H new ATOM 0 HA SER A 111 26.101 2.962 14.970 1.00 0.00 H new ATOM 0 HB2 SER A 111 24.511 4.377 16.338 1.00 0.00 H new ATOM 0 HB3 SER A 111 24.013 2.929 17.192 1.00 0.00 H new ATOM 0 HG SER A 111 25.696 4.072 18.307 1.00 0.00 H new ATOM 1712 N GLY A 112 26.682 0.919 16.475 1.00 0.00 N ATOM 1713 CA GLY A 112 27.073 -0.404 16.926 1.00 0.00 C ATOM 1714 C GLY A 112 27.131 -1.409 15.793 1.00 0.00 C ATOM 1715 O GLY A 112 26.510 -2.469 15.863 1.00 0.00 O ATOM 0 H GLY A 112 27.364 1.654 16.661 1.00 0.00 H new ATOM 0 HA2 GLY A 112 28.049 -0.347 17.407 1.00 0.00 H new ATOM 0 HA3 GLY A 112 26.366 -0.751 17.680 1.00 0.00 H new TER 1719 GLY A 112