USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 762 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 103 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 124 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 93 THR OG1 : rot -173:sc= 0.582 USER MOD Set 2.2: A 106 GLN : amide:sc= 0.275 X(o=0.86,f=0.69) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc=-0.00427 (180deg=-0.117) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 169:sc=-0.00197 (180deg=-0.128) USER MOD Single : A 61 GLN : amide:sc= 0.723 K(o=0.72,f=-2.9!) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.2) USER MOD Single : A 64 ASN : amide:sc= -4.31! C(o=-4.3!,f=-9.9!) USER MOD Single : A 65 THR OG1 : rot 170:sc= 0.48 USER MOD Single : A 68 MET CE :methyl -148:sc= -0.459 (180deg=-1.56!) USER MOD Single : A 70 ASN : amide:sc= 0.537 K(o=0.54,f=-0.2) USER MOD Single : A 74 HIS : no HD1:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 78 TYR OH : rot -153:sc= -1.03 USER MOD Single : A 79 LYS NZ :NH3+ 175:sc= 0.0854 (180deg=0.0798) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0701 USER MOD Single : A 83 GLN : amide:sc= -1.92 X(o=-1.9,f=-1.9) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.153 K(o=-0.15,f=-0.7) USER MOD Single : A 95 SER OG : rot 160:sc= -1.81! USER MOD Single : A 101 GLN :FLIP amide:sc= -0.376 F(o=-0.97,f=-0.38) USER MOD Single : A 102 LYS NZ :NH3+ 142:sc= 1.22 (180deg=1.11) USER MOD Single : A 109 SER OG : rot -18:sc= 0.71 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 70:sc= 0.605 USER MOD Single : A 127 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.45) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ -151:sc= -0.149 (180deg=-0.383) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 48 0.276 -38.713 12.538 1.00 71.21 N ATOM 2 CA SER A 48 -0.640 -37.558 12.502 1.00 64.51 C ATOM 3 C SER A 48 -0.407 -36.751 11.230 1.00 23.53 C ATOM 4 O SER A 48 0.720 -36.673 10.734 1.00 52.42 O ATOM 5 CB SER A 48 -0.430 -36.681 13.739 1.00 53.44 C ATOM 6 OG SER A 48 -1.428 -35.677 13.838 1.00 43.31 O ATOM 0 HA SER A 48 -1.669 -37.918 12.504 1.00 64.51 H new ATOM 0 HB2 SER A 48 -0.447 -37.302 14.634 1.00 53.44 H new ATOM 0 HB3 SER A 48 0.554 -36.215 13.693 1.00 53.44 H new ATOM 0 HG SER A 48 -1.268 -35.135 14.638 1.00 43.31 H new ATOM 12 N ASP A 49 -1.474 -36.159 10.703 1.00 40.04 N ATOM 13 CA ASP A 49 -1.391 -35.358 9.485 1.00 4.34 C ATOM 14 C ASP A 49 -0.885 -33.957 9.809 1.00 44.44 C ATOM 15 O ASP A 49 -1.555 -33.188 10.501 1.00 54.21 O ATOM 16 CB ASP A 49 -2.760 -35.289 8.806 1.00 30.44 C ATOM 17 CG ASP A 49 -2.790 -34.353 7.612 1.00 61.01 C ATOM 18 OD1 ASP A 49 -2.062 -34.605 6.629 1.00 5.21 O ATOM 19 OD2 ASP A 49 -3.561 -33.372 7.644 1.00 23.10 O ATOM 0 H ASP A 49 -2.411 -36.219 11.102 1.00 40.04 H new ATOM 0 HA ASP A 49 -0.687 -35.830 8.800 1.00 4.34 H new ATOM 0 HB2 ASP A 49 -3.048 -36.289 8.482 1.00 30.44 H new ATOM 0 HB3 ASP A 49 -3.503 -34.963 9.534 1.00 30.44 H new ATOM 24 N PRO A 50 0.318 -33.615 9.328 1.00 61.42 N ATOM 25 CA PRO A 50 0.973 -32.361 9.656 1.00 24.13 C ATOM 26 C PRO A 50 0.608 -31.226 8.704 1.00 40.44 C ATOM 27 O PRO A 50 1.260 -31.017 7.677 1.00 1.20 O ATOM 28 CB PRO A 50 2.450 -32.720 9.537 1.00 12.42 C ATOM 29 CG PRO A 50 2.508 -33.776 8.480 1.00 4.44 C ATOM 30 CD PRO A 50 1.146 -34.431 8.423 1.00 0.13 C ATOM 0 HA PRO A 50 0.679 -31.986 10.636 1.00 24.13 H new ATOM 0 HB2 PRO A 50 3.046 -31.851 9.260 1.00 12.42 H new ATOM 0 HB3 PRO A 50 2.844 -33.088 10.484 1.00 12.42 H new ATOM 0 HG2 PRO A 50 2.765 -33.340 7.515 1.00 4.44 H new ATOM 0 HG3 PRO A 50 3.278 -34.511 8.713 1.00 4.44 H new ATOM 0 HD2 PRO A 50 0.746 -34.432 7.409 1.00 0.13 H new ATOM 0 HD3 PRO A 50 1.189 -35.470 8.750 1.00 0.13 H new ATOM 38 N LYS A 51 -0.446 -30.502 9.034 1.00 42.42 N ATOM 39 CA LYS A 51 -0.816 -29.333 8.263 1.00 41.43 C ATOM 40 C LYS A 51 -0.110 -28.097 8.801 1.00 4.32 C ATOM 41 O LYS A 51 -0.592 -27.435 9.725 1.00 3.31 O ATOM 42 CB LYS A 51 -2.332 -29.134 8.240 1.00 14.44 C ATOM 43 CG LYS A 51 -2.996 -29.747 7.016 1.00 25.14 C ATOM 44 CD LYS A 51 -2.498 -29.088 5.736 1.00 54.11 C ATOM 45 CE LYS A 51 -3.096 -29.728 4.491 1.00 4.33 C ATOM 46 NZ LYS A 51 -4.579 -29.632 4.470 1.00 13.43 N ATOM 0 H LYS A 51 -1.057 -30.702 9.826 1.00 42.42 H new ATOM 0 HA LYS A 51 -0.495 -29.493 7.234 1.00 41.43 H new ATOM 0 HB2 LYS A 51 -2.764 -29.574 9.139 1.00 14.44 H new ATOM 0 HB3 LYS A 51 -2.553 -28.067 8.270 1.00 14.44 H new ATOM 0 HG2 LYS A 51 -2.789 -30.817 6.983 1.00 25.14 H new ATOM 0 HG3 LYS A 51 -4.078 -29.634 7.090 1.00 25.14 H new ATOM 0 HD2 LYS A 51 -2.749 -28.027 5.754 1.00 54.11 H new ATOM 0 HD3 LYS A 51 -1.411 -29.158 5.692 1.00 54.11 H new ATOM 0 HE2 LYS A 51 -2.689 -29.243 3.604 1.00 4.33 H new ATOM 0 HE3 LYS A 51 -2.800 -30.776 4.445 1.00 4.33 H new ATOM 0 HZ1 LYS A 51 -4.934 -29.940 3.542 1.00 13.43 H new ATOM 0 HZ2 LYS A 51 -4.977 -30.242 5.213 1.00 13.43 H new ATOM 0 HZ3 LYS A 51 -4.866 -28.647 4.640 1.00 13.43 H new ATOM 60 N LYS A 52 1.053 -27.818 8.229 1.00 60.21 N ATOM 61 CA LYS A 52 1.844 -26.659 8.608 1.00 12.42 C ATOM 62 C LYS A 52 1.215 -25.404 8.028 1.00 31.04 C ATOM 63 O LYS A 52 0.839 -25.383 6.857 1.00 11.31 O ATOM 64 CB LYS A 52 3.276 -26.799 8.079 1.00 2.31 C ATOM 65 CG LYS A 52 3.961 -28.116 8.434 1.00 3.42 C ATOM 66 CD LYS A 52 4.613 -28.092 9.813 1.00 0.42 C ATOM 67 CE LYS A 52 3.596 -28.123 10.940 1.00 44.13 C ATOM 68 NZ LYS A 52 4.252 -28.216 12.270 1.00 21.52 N ATOM 0 H LYS A 52 1.472 -28.386 7.493 1.00 60.21 H new ATOM 0 HA LYS A 52 1.871 -26.590 9.696 1.00 12.42 H new ATOM 0 HB2 LYS A 52 3.260 -26.694 6.994 1.00 2.31 H new ATOM 0 HB3 LYS A 52 3.875 -25.977 8.470 1.00 2.31 H new ATOM 0 HG2 LYS A 52 3.228 -28.922 8.398 1.00 3.42 H new ATOM 0 HG3 LYS A 52 4.719 -28.340 7.683 1.00 3.42 H new ATOM 0 HD2 LYS A 52 5.283 -28.947 9.909 1.00 0.42 H new ATOM 0 HD3 LYS A 52 5.225 -27.195 9.906 1.00 0.42 H new ATOM 0 HE2 LYS A 52 2.981 -27.224 10.900 1.00 44.13 H new ATOM 0 HE3 LYS A 52 2.928 -28.973 10.804 1.00 44.13 H new ATOM 0 HZ1 LYS A 52 3.526 -28.235 13.015 1.00 21.52 H new ATOM 0 HZ2 LYS A 52 4.819 -29.086 12.317 1.00 21.52 H new ATOM 0 HZ3 LYS A 52 4.871 -27.392 12.410 1.00 21.52 H new ATOM 82 N LYS A 53 1.076 -24.373 8.840 1.00 61.13 N ATOM 83 CA LYS A 53 0.525 -23.117 8.358 1.00 2.32 C ATOM 84 C LYS A 53 1.655 -22.189 7.937 1.00 11.23 C ATOM 85 O LYS A 53 2.652 -22.051 8.648 1.00 5.30 O ATOM 86 CB LYS A 53 -0.360 -22.462 9.423 1.00 32.21 C ATOM 87 CG LYS A 53 -1.562 -23.314 9.808 1.00 14.32 C ATOM 88 CD LYS A 53 -2.564 -22.540 10.650 1.00 5.44 C ATOM 89 CE LYS A 53 -3.125 -21.348 9.889 1.00 45.33 C ATOM 90 NZ LYS A 53 -4.168 -20.630 10.666 1.00 65.14 N ATOM 0 H LYS A 53 1.334 -24.377 9.827 1.00 61.13 H new ATOM 0 HA LYS A 53 -0.104 -23.318 7.491 1.00 2.32 H new ATOM 0 HB2 LYS A 53 0.238 -22.265 10.313 1.00 32.21 H new ATOM 0 HB3 LYS A 53 -0.709 -21.498 9.054 1.00 32.21 H new ATOM 0 HG2 LYS A 53 -2.052 -23.678 8.905 1.00 14.32 H new ATOM 0 HG3 LYS A 53 -1.223 -24.190 10.362 1.00 14.32 H new ATOM 0 HD2 LYS A 53 -3.379 -23.200 10.947 1.00 5.44 H new ATOM 0 HD3 LYS A 53 -2.083 -22.196 11.565 1.00 5.44 H new ATOM 0 HE2 LYS A 53 -2.316 -20.659 9.647 1.00 45.33 H new ATOM 0 HE3 LYS A 53 -3.548 -21.688 8.944 1.00 45.33 H new ATOM 0 HZ1 LYS A 53 -4.523 -19.826 10.110 1.00 65.14 H new ATOM 0 HZ2 LYS A 53 -4.953 -21.279 10.876 1.00 65.14 H new ATOM 0 HZ3 LYS A 53 -3.759 -20.282 11.557 1.00 65.14 H new ATOM 104 N MET A 54 1.513 -21.579 6.770 1.00 62.35 N ATOM 105 CA MET A 54 2.565 -20.744 6.213 1.00 33.32 C ATOM 106 C MET A 54 2.229 -19.269 6.349 1.00 12.12 C ATOM 107 O MET A 54 1.166 -18.815 5.922 1.00 73.44 O ATOM 108 CB MET A 54 2.798 -21.079 4.739 1.00 10.31 C ATOM 109 CG MET A 54 3.256 -22.507 4.496 1.00 13.11 C ATOM 110 SD MET A 54 3.604 -22.836 2.760 1.00 10.23 S ATOM 111 CE MET A 54 4.070 -24.565 2.838 1.00 73.33 C ATOM 0 H MET A 54 0.677 -21.647 6.189 1.00 62.35 H new ATOM 0 HA MET A 54 3.475 -20.948 6.777 1.00 33.32 H new ATOM 0 HB2 MET A 54 1.874 -20.905 4.187 1.00 10.31 H new ATOM 0 HB3 MET A 54 3.544 -20.395 4.335 1.00 10.31 H new ATOM 0 HG2 MET A 54 4.151 -22.703 5.086 1.00 13.11 H new ATOM 0 HG3 MET A 54 2.487 -23.196 4.846 1.00 13.11 H new ATOM 0 HE1 MET A 54 4.316 -24.921 1.838 1.00 73.33 H new ATOM 0 HE2 MET A 54 4.938 -24.679 3.488 1.00 73.33 H new ATOM 0 HE3 MET A 54 3.240 -25.148 3.236 1.00 73.33 H new ATOM 121 N CYS A 55 3.141 -18.529 6.954 1.00 2.31 N ATOM 122 CA CYS A 55 3.013 -17.088 7.050 1.00 43.11 C ATOM 123 C CYS A 55 4.212 -16.416 6.394 1.00 3.53 C ATOM 124 O CYS A 55 5.343 -16.545 6.862 1.00 43.10 O ATOM 125 CB CYS A 55 2.897 -16.657 8.514 1.00 74.22 C ATOM 126 SG CYS A 55 1.508 -17.406 9.391 1.00 12.44 S ATOM 0 H CYS A 55 3.983 -18.906 7.388 1.00 2.31 H new ATOM 0 HA CYS A 55 2.106 -16.781 6.529 1.00 43.11 H new ATOM 0 HB2 CYS A 55 3.821 -16.913 9.032 1.00 74.22 H new ATOM 0 HB3 CYS A 55 2.798 -15.572 8.556 1.00 74.22 H new ATOM 0 HG CYS A 55 1.493 -16.984 10.621 1.00 12.44 H new ATOM 132 N LYS A 56 3.965 -15.728 5.291 1.00 52.35 N ATOM 133 CA LYS A 56 5.013 -15.003 4.586 1.00 31.41 C ATOM 134 C LYS A 56 4.754 -13.510 4.735 1.00 35.33 C ATOM 135 O LYS A 56 5.255 -12.677 3.975 1.00 50.13 O ATOM 136 CB LYS A 56 5.041 -15.422 3.108 1.00 64.31 C ATOM 137 CG LYS A 56 6.267 -14.940 2.342 1.00 23.34 C ATOM 138 CD LYS A 56 7.559 -15.484 2.937 1.00 73.42 C ATOM 139 CE LYS A 56 7.626 -17.003 2.862 1.00 23.33 C ATOM 140 NZ LYS A 56 7.619 -17.497 1.459 1.00 74.14 N ATOM 0 H LYS A 56 3.043 -15.656 4.862 1.00 52.35 H new ATOM 0 HA LYS A 56 5.989 -15.238 5.011 1.00 31.41 H new ATOM 0 HB2 LYS A 56 4.995 -16.509 3.050 1.00 64.31 H new ATOM 0 HB3 LYS A 56 4.147 -15.039 2.617 1.00 64.31 H new ATOM 0 HG2 LYS A 56 6.189 -15.250 1.300 1.00 23.34 H new ATOM 0 HG3 LYS A 56 6.294 -13.850 2.350 1.00 23.34 H new ATOM 0 HD2 LYS A 56 8.410 -15.057 2.407 1.00 73.42 H new ATOM 0 HD3 LYS A 56 7.640 -15.168 3.977 1.00 73.42 H new ATOM 0 HE2 LYS A 56 8.529 -17.350 3.363 1.00 23.33 H new ATOM 0 HE3 LYS A 56 6.779 -17.429 3.400 1.00 23.33 H new ATOM 0 HZ1 LYS A 56 7.852 -18.511 1.447 1.00 74.14 H new ATOM 0 HZ2 LYS A 56 6.676 -17.353 1.045 1.00 74.14 H new ATOM 0 HZ3 LYS A 56 8.325 -16.973 0.903 1.00 74.14 H new ATOM 154 N GLU A 57 3.971 -13.186 5.747 1.00 0.51 N ATOM 155 CA GLU A 57 3.562 -11.820 6.002 1.00 53.20 C ATOM 156 C GLU A 57 3.757 -11.476 7.473 1.00 41.02 C ATOM 157 O GLU A 57 3.419 -12.270 8.351 1.00 62.45 O ATOM 158 CB GLU A 57 2.093 -11.652 5.614 1.00 20.54 C ATOM 159 CG GLU A 57 1.580 -10.227 5.721 1.00 34.11 C ATOM 160 CD GLU A 57 0.097 -10.128 5.437 1.00 22.11 C ATOM 161 OE1 GLU A 57 -0.334 -10.544 4.340 1.00 2.42 O ATOM 162 OE2 GLU A 57 -0.649 -9.624 6.301 1.00 72.01 O ATOM 0 H GLU A 57 3.601 -13.863 6.414 1.00 0.51 H new ATOM 0 HA GLU A 57 4.175 -11.144 5.406 1.00 53.20 H new ATOM 0 HB2 GLU A 57 1.957 -11.999 4.590 1.00 20.54 H new ATOM 0 HB3 GLU A 57 1.485 -12.294 6.251 1.00 20.54 H new ATOM 0 HG2 GLU A 57 1.782 -9.844 6.721 1.00 34.11 H new ATOM 0 HG3 GLU A 57 2.125 -9.593 5.021 1.00 34.11 H new ATOM 169 N ARG A 58 4.327 -10.314 7.735 1.00 64.15 N ATOM 170 CA ARG A 58 4.457 -9.823 9.097 1.00 3.41 C ATOM 171 C ARG A 58 3.700 -8.511 9.250 1.00 42.41 C ATOM 172 O ARG A 58 3.877 -7.588 8.453 1.00 53.43 O ATOM 173 CB ARG A 58 5.928 -9.628 9.472 1.00 62.32 C ATOM 174 CG ARG A 58 6.125 -9.137 10.899 1.00 60.22 C ATOM 175 CD ARG A 58 7.594 -8.898 11.210 1.00 50.12 C ATOM 176 NE ARG A 58 7.803 -8.477 12.596 1.00 60.30 N ATOM 177 CZ ARG A 58 8.971 -8.572 13.234 1.00 2.24 C ATOM 178 NH1 ARG A 58 10.033 -9.073 12.612 1.00 51.33 N ATOM 179 NH2 ARG A 58 9.079 -8.163 14.494 1.00 40.31 N ATOM 0 H ARG A 58 4.708 -9.691 7.023 1.00 64.15 H new ATOM 0 HA ARG A 58 4.030 -10.566 9.771 1.00 3.41 H new ATOM 0 HB2 ARG A 58 6.457 -10.572 9.344 1.00 62.32 H new ATOM 0 HB3 ARG A 58 6.380 -8.914 8.784 1.00 62.32 H new ATOM 0 HG2 ARG A 58 5.566 -8.213 11.047 1.00 60.22 H new ATOM 0 HG3 ARG A 58 5.719 -9.870 11.596 1.00 60.22 H new ATOM 0 HD2 ARG A 58 8.157 -9.812 11.020 1.00 50.12 H new ATOM 0 HD3 ARG A 58 7.987 -8.136 10.537 1.00 50.12 H new ATOM 0 HE ARG A 58 7.009 -8.088 13.104 1.00 60.30 H new ATOM 0 HH11 ARG A 58 9.957 -9.386 11.644 1.00 51.33 H new ATOM 0 HH12 ARG A 58 10.925 -9.144 13.102 1.00 51.33 H new ATOM 0 HH21 ARG A 58 8.268 -7.775 14.976 1.00 40.31 H new ATOM 0 HH22 ARG A 58 9.973 -8.237 14.979 1.00 40.31 H new ATOM 193 N ILE A 59 2.852 -8.439 10.260 1.00 2.40 N ATOM 194 CA ILE A 59 2.079 -7.240 10.519 1.00 63.02 C ATOM 195 C ILE A 59 2.947 -6.199 11.216 1.00 33.13 C ATOM 196 O ILE A 59 3.543 -6.476 12.262 1.00 40.12 O ATOM 197 CB ILE A 59 0.835 -7.546 11.381 1.00 1.43 C ATOM 198 CG1 ILE A 59 -0.061 -8.564 10.669 1.00 34.41 C ATOM 199 CG2 ILE A 59 0.060 -6.269 11.684 1.00 0.34 C ATOM 200 CD1 ILE A 59 -1.281 -8.963 11.466 1.00 54.44 C ATOM 0 H ILE A 59 2.681 -9.201 10.916 1.00 2.40 H new ATOM 0 HA ILE A 59 1.739 -6.848 9.560 1.00 63.02 H new ATOM 0 HB ILE A 59 1.166 -7.973 12.328 1.00 1.43 H new ATOM 0 HG12 ILE A 59 -0.382 -8.147 9.715 1.00 34.41 H new ATOM 0 HG13 ILE A 59 0.524 -9.456 10.446 1.00 34.41 H new ATOM 0 HG21 ILE A 59 -0.812 -6.508 12.292 1.00 0.34 H new ATOM 0 HG22 ILE A 59 0.701 -5.574 12.227 1.00 0.34 H new ATOM 0 HG23 ILE A 59 -0.264 -5.810 10.750 1.00 0.34 H new ATOM 0 HD11 ILE A 59 -1.866 -9.686 10.898 1.00 54.44 H new ATOM 0 HD12 ILE A 59 -0.969 -9.411 12.410 1.00 54.44 H new ATOM 0 HD13 ILE A 59 -1.889 -8.081 11.667 1.00 54.44 H new ATOM 212 N PRO A 60 3.053 -4.999 10.623 1.00 74.23 N ATOM 213 CA PRO A 60 3.832 -3.901 11.194 1.00 51.43 C ATOM 214 C PRO A 60 3.423 -3.597 12.633 1.00 72.32 C ATOM 215 O PRO A 60 2.246 -3.365 12.925 1.00 21.22 O ATOM 216 CB PRO A 60 3.520 -2.720 10.274 1.00 22.20 C ATOM 217 CG PRO A 60 3.126 -3.345 8.981 1.00 10.23 C ATOM 218 CD PRO A 60 2.428 -4.625 9.342 1.00 53.32 C ATOM 0 HA PRO A 60 4.895 -4.134 11.246 1.00 51.43 H new ATOM 0 HB2 PRO A 60 2.716 -2.104 10.678 1.00 22.20 H new ATOM 0 HB3 PRO A 60 4.388 -2.072 10.153 1.00 22.20 H new ATOM 0 HG2 PRO A 60 2.468 -2.687 8.413 1.00 10.23 H new ATOM 0 HG3 PRO A 60 3.999 -3.538 8.358 1.00 10.23 H new ATOM 0 HD2 PRO A 60 1.352 -4.482 9.445 1.00 53.32 H new ATOM 0 HD3 PRO A 60 2.576 -5.393 8.582 1.00 53.32 H new ATOM 226 N GLN A 61 4.403 -3.624 13.524 1.00 72.42 N ATOM 227 CA GLN A 61 4.166 -3.425 14.949 1.00 62.15 C ATOM 228 C GLN A 61 3.958 -1.949 15.314 1.00 51.54 C ATOM 229 O GLN A 61 3.058 -1.640 16.096 1.00 54.10 O ATOM 230 CB GLN A 61 5.306 -4.031 15.765 1.00 42.10 C ATOM 231 CG GLN A 61 5.397 -5.538 15.614 1.00 73.21 C ATOM 232 CD GLN A 61 6.498 -6.149 16.450 1.00 44.42 C ATOM 233 OE1 GLN A 61 7.631 -6.298 15.992 1.00 24.12 O ATOM 234 NE2 GLN A 61 6.173 -6.502 17.682 1.00 32.13 N ATOM 0 H GLN A 61 5.381 -3.784 13.283 1.00 72.42 H new ATOM 0 HA GLN A 61 3.237 -3.940 15.195 1.00 62.15 H new ATOM 0 HB2 GLN A 61 6.249 -3.581 15.454 1.00 42.10 H new ATOM 0 HB3 GLN A 61 5.166 -3.783 16.817 1.00 42.10 H new ATOM 0 HG2 GLN A 61 4.443 -5.984 15.896 1.00 73.21 H new ATOM 0 HG3 GLN A 61 5.566 -5.783 14.565 1.00 73.21 H new ATOM 0 HE21 GLN A 61 5.221 -6.360 18.019 1.00 32.13 H new ATOM 0 HE22 GLN A 61 6.874 -6.917 18.296 1.00 32.13 H new ATOM 243 N PRO A 62 4.779 -1.010 14.788 1.00 44.25 N ATOM 244 CA PRO A 62 4.561 0.426 15.022 1.00 75.33 C ATOM 245 C PRO A 62 3.271 0.933 14.375 1.00 41.34 C ATOM 246 O PRO A 62 2.550 0.176 13.720 1.00 51.33 O ATOM 247 CB PRO A 62 5.777 1.090 14.370 1.00 51.43 C ATOM 248 CG PRO A 62 6.261 0.100 13.369 1.00 74.23 C ATOM 249 CD PRO A 62 5.982 -1.247 13.964 1.00 60.14 C ATOM 0 HA PRO A 62 4.457 0.648 16.084 1.00 75.33 H new ATOM 0 HB2 PRO A 62 5.505 2.032 13.895 1.00 51.43 H new ATOM 0 HB3 PRO A 62 6.547 1.315 15.108 1.00 51.43 H new ATOM 0 HG2 PRO A 62 5.745 0.222 12.417 1.00 74.23 H new ATOM 0 HG3 PRO A 62 7.326 0.229 13.174 1.00 74.23 H new ATOM 0 HD2 PRO A 62 5.801 -1.997 13.194 1.00 60.14 H new ATOM 0 HD3 PRO A 62 6.818 -1.602 14.566 1.00 60.14 H new ATOM 257 N LYS A 63 2.980 2.215 14.568 1.00 11.12 N ATOM 258 CA LYS A 63 1.818 2.835 13.947 1.00 51.51 C ATOM 259 C LYS A 63 2.029 2.996 12.450 1.00 51.13 C ATOM 260 O LYS A 63 2.457 4.050 11.975 1.00 55.32 O ATOM 261 CB LYS A 63 1.506 4.193 14.582 1.00 33.20 C ATOM 262 CG LYS A 63 0.860 4.096 15.956 1.00 61.20 C ATOM 263 CD LYS A 63 -0.566 3.563 15.876 1.00 3.10 C ATOM 264 CE LYS A 63 -1.474 4.493 15.076 1.00 23.32 C ATOM 265 NZ LYS A 63 -2.883 4.018 15.057 1.00 2.31 N ATOM 0 H LYS A 63 3.534 2.844 15.150 1.00 11.12 H new ATOM 0 HA LYS A 63 0.966 2.176 14.114 1.00 51.51 H new ATOM 0 HB2 LYS A 63 2.430 4.765 14.665 1.00 33.20 H new ATOM 0 HB3 LYS A 63 0.845 4.750 13.919 1.00 33.20 H new ATOM 0 HG2 LYS A 63 1.457 3.443 16.593 1.00 61.20 H new ATOM 0 HG3 LYS A 63 0.854 5.080 16.425 1.00 61.20 H new ATOM 0 HD2 LYS A 63 -0.560 2.576 15.415 1.00 3.10 H new ATOM 0 HD3 LYS A 63 -0.966 3.442 16.883 1.00 3.10 H new ATOM 0 HE2 LYS A 63 -1.435 5.494 15.505 1.00 23.32 H new ATOM 0 HE3 LYS A 63 -1.104 4.570 14.054 1.00 23.32 H new ATOM 0 HZ1 LYS A 63 -3.433 4.588 14.383 1.00 2.31 H new ATOM 0 HZ2 LYS A 63 -2.909 3.019 14.768 1.00 2.31 H new ATOM 0 HZ3 LYS A 63 -3.294 4.114 16.007 1.00 2.31 H new ATOM 279 N ASN A 64 1.758 1.927 11.724 1.00 32.24 N ATOM 280 CA ASN A 64 1.843 1.917 10.272 1.00 5.34 C ATOM 281 C ASN A 64 0.665 2.646 9.666 1.00 10.21 C ATOM 282 O ASN A 64 -0.429 2.675 10.235 1.00 55.12 O ATOM 283 CB ASN A 64 1.913 0.480 9.741 1.00 13.11 C ATOM 284 CG ASN A 64 0.792 -0.416 10.249 1.00 54.14 C ATOM 285 OD1 ASN A 64 0.280 -0.241 11.353 1.00 0.31 O ATOM 286 ND2 ASN A 64 0.408 -1.395 9.448 1.00 22.33 N ATOM 0 H ASN A 64 1.471 1.035 12.126 1.00 32.24 H new ATOM 0 HA ASN A 64 2.757 2.434 9.982 1.00 5.34 H new ATOM 0 HB2 ASN A 64 1.882 0.503 8.652 1.00 13.11 H new ATOM 0 HB3 ASN A 64 2.871 0.044 10.024 1.00 13.11 H new ATOM 0 HD21 ASN A 64 -0.333 -2.032 9.740 1.00 22.33 H new ATOM 0 HD22 ASN A 64 0.853 -1.513 8.538 1.00 22.33 H new ATOM 293 N THR A 65 0.903 3.236 8.509 1.00 15.43 N ATOM 294 CA THR A 65 -0.119 3.949 7.767 1.00 61.33 C ATOM 295 C THR A 65 -1.304 3.039 7.464 1.00 31.53 C ATOM 296 O THR A 65 -2.442 3.491 7.349 1.00 30.43 O ATOM 297 CB THR A 65 0.481 4.463 6.458 1.00 21.31 C ATOM 298 OG1 THR A 65 1.117 3.369 5.797 1.00 13.00 O ATOM 299 CG2 THR A 65 1.502 5.557 6.724 1.00 50.35 C ATOM 0 H THR A 65 1.817 3.234 8.055 1.00 15.43 H new ATOM 0 HA THR A 65 -0.474 4.784 8.370 1.00 61.33 H new ATOM 0 HB THR A 65 -0.311 4.881 5.837 1.00 21.31 H new ATOM 0 HG1 THR A 65 1.366 3.636 4.888 1.00 13.00 H new ATOM 0 HG21 THR A 65 1.915 5.907 5.778 1.00 50.35 H new ATOM 0 HG22 THR A 65 1.019 6.388 7.239 1.00 50.35 H new ATOM 0 HG23 THR A 65 2.305 5.162 7.346 1.00 50.35 H new ATOM 307 N VAL A 66 -1.011 1.749 7.340 1.00 13.11 N ATOM 308 CA VAL A 66 -2.027 0.732 7.117 1.00 62.41 C ATOM 309 C VAL A 66 -3.075 0.770 8.222 1.00 44.42 C ATOM 310 O VAL A 66 -4.277 0.787 7.953 1.00 31.23 O ATOM 311 CB VAL A 66 -1.393 -0.672 7.076 1.00 52.10 C ATOM 312 CG1 VAL A 66 -2.418 -1.726 6.693 1.00 64.43 C ATOM 313 CG2 VAL A 66 -0.207 -0.694 6.128 1.00 33.34 C ATOM 0 H VAL A 66 -0.061 1.381 7.392 1.00 13.11 H new ATOM 0 HA VAL A 66 -2.502 0.942 6.159 1.00 62.41 H new ATOM 0 HB VAL A 66 -1.034 -0.911 8.077 1.00 52.10 H new ATOM 0 HG11 VAL A 66 -1.942 -2.706 6.672 1.00 64.43 H new ATOM 0 HG12 VAL A 66 -3.226 -1.731 7.425 1.00 64.43 H new ATOM 0 HG13 VAL A 66 -2.823 -1.498 5.707 1.00 64.43 H new ATOM 0 HG21 VAL A 66 0.228 -1.693 6.112 1.00 33.34 H new ATOM 0 HG22 VAL A 66 -0.538 -0.426 5.125 1.00 33.34 H new ATOM 0 HG23 VAL A 66 0.542 0.022 6.466 1.00 33.34 H new ATOM 323 N ALA A 67 -2.609 0.802 9.462 1.00 72.12 N ATOM 324 CA ALA A 67 -3.494 0.866 10.609 1.00 23.04 C ATOM 325 C ALA A 67 -4.244 2.190 10.623 1.00 52.44 C ATOM 326 O ALA A 67 -5.421 2.243 10.973 1.00 21.14 O ATOM 327 CB ALA A 67 -2.699 0.679 11.892 1.00 74.34 C ATOM 0 H ALA A 67 -1.617 0.784 9.697 1.00 72.12 H new ATOM 0 HA ALA A 67 -4.226 0.062 10.538 1.00 23.04 H new ATOM 0 HB1 ALA A 67 -3.372 0.729 12.748 1.00 74.34 H new ATOM 0 HB2 ALA A 67 -2.204 -0.292 11.875 1.00 74.34 H new ATOM 0 HB3 ALA A 67 -1.950 1.466 11.974 1.00 74.34 H new ATOM 333 N MET A 68 -3.553 3.250 10.212 1.00 60.43 N ATOM 334 CA MET A 68 -4.146 4.582 10.120 1.00 4.34 C ATOM 335 C MET A 68 -5.333 4.580 9.163 1.00 63.01 C ATOM 336 O MET A 68 -6.390 5.133 9.462 1.00 5.41 O ATOM 337 CB MET A 68 -3.104 5.586 9.626 1.00 51.25 C ATOM 338 CG MET A 68 -1.876 5.702 10.512 1.00 2.12 C ATOM 339 SD MET A 68 -2.206 6.579 12.052 1.00 25.52 S ATOM 340 CE MET A 68 -2.827 8.135 11.410 1.00 72.34 C ATOM 0 H MET A 68 -2.572 3.211 9.935 1.00 60.43 H new ATOM 0 HA MET A 68 -4.492 4.869 11.113 1.00 4.34 H new ATOM 0 HB2 MET A 68 -2.788 5.299 8.623 1.00 51.25 H new ATOM 0 HB3 MET A 68 -3.572 6.567 9.544 1.00 51.25 H new ATOM 0 HG2 MET A 68 -1.503 4.704 10.741 1.00 2.12 H new ATOM 0 HG3 MET A 68 -1.087 6.220 9.966 1.00 2.12 H new ATOM 0 HE1 MET A 68 -2.554 8.943 12.088 1.00 72.34 H new ATOM 0 HE2 MET A 68 -2.393 8.323 10.428 1.00 72.34 H new ATOM 0 HE3 MET A 68 -3.912 8.086 11.323 1.00 72.34 H new ATOM 350 N LEU A 69 -5.148 3.948 8.010 1.00 51.50 N ATOM 351 CA LEU A 69 -6.197 3.863 7.004 1.00 20.14 C ATOM 352 C LEU A 69 -7.406 3.107 7.540 1.00 51.13 C ATOM 353 O LEU A 69 -8.548 3.422 7.202 1.00 75.53 O ATOM 354 CB LEU A 69 -5.672 3.172 5.749 1.00 42.22 C ATOM 355 CG LEU A 69 -5.684 4.026 4.480 1.00 14.41 C ATOM 356 CD1 LEU A 69 -5.206 3.214 3.286 1.00 15.42 C ATOM 357 CD2 LEU A 69 -7.078 4.581 4.228 1.00 75.21 C ATOM 0 H LEU A 69 -4.277 3.485 7.749 1.00 51.50 H new ATOM 0 HA LEU A 69 -6.506 4.878 6.753 1.00 20.14 H new ATOM 0 HB2 LEU A 69 -4.650 2.843 5.936 1.00 42.22 H new ATOM 0 HB3 LEU A 69 -6.268 2.277 5.571 1.00 42.22 H new ATOM 0 HG LEU A 69 -5.000 4.863 4.619 1.00 14.41 H new ATOM 0 HD11 LEU A 69 -5.221 3.838 2.392 1.00 15.42 H new ATOM 0 HD12 LEU A 69 -4.190 2.864 3.467 1.00 15.42 H new ATOM 0 HD13 LEU A 69 -5.864 2.357 3.142 1.00 15.42 H new ATOM 0 HD21 LEU A 69 -7.070 5.186 3.322 1.00 75.21 H new ATOM 0 HD22 LEU A 69 -7.781 3.757 4.108 1.00 75.21 H new ATOM 0 HD23 LEU A 69 -7.382 5.198 5.074 1.00 75.21 H new ATOM 369 N ASN A 70 -7.151 2.125 8.400 1.00 51.33 N ATOM 370 CA ASN A 70 -8.220 1.338 9.008 1.00 43.41 C ATOM 371 C ASN A 70 -9.008 2.181 9.998 1.00 4.55 C ATOM 372 O ASN A 70 -10.149 1.861 10.329 1.00 52.43 O ATOM 373 CB ASN A 70 -7.661 0.097 9.718 1.00 52.51 C ATOM 374 CG ASN A 70 -7.411 -1.070 8.777 1.00 3.12 C ATOM 375 OD1 ASN A 70 -8.300 -1.884 8.535 1.00 41.24 O ATOM 376 ND2 ASN A 70 -6.201 -1.168 8.249 1.00 54.23 N ATOM 0 H ASN A 70 -6.212 1.855 8.692 1.00 51.33 H new ATOM 0 HA ASN A 70 -8.884 1.011 8.208 1.00 43.41 H new ATOM 0 HB2 ASN A 70 -6.728 0.361 10.215 1.00 52.51 H new ATOM 0 HB3 ASN A 70 -8.359 -0.214 10.495 1.00 52.51 H new ATOM 0 HD21 ASN A 70 -5.981 -1.938 7.618 1.00 54.23 H new ATOM 0 HD22 ASN A 70 -5.489 -0.473 8.473 1.00 54.23 H new ATOM 383 N GLU A 71 -8.390 3.257 10.469 1.00 73.24 N ATOM 384 CA GLU A 71 -9.042 4.173 11.393 1.00 73.31 C ATOM 385 C GLU A 71 -9.870 5.199 10.623 1.00 62.25 C ATOM 386 O GLU A 71 -10.784 5.813 11.169 1.00 64.41 O ATOM 387 CB GLU A 71 -8.000 4.881 12.269 1.00 3.21 C ATOM 388 CG GLU A 71 -7.052 3.928 12.981 1.00 32.53 C ATOM 389 CD GLU A 71 -6.132 4.630 13.961 1.00 1.45 C ATOM 390 OE1 GLU A 71 -6.566 4.900 15.101 1.00 5.33 O ATOM 391 OE2 GLU A 71 -4.965 4.907 13.608 1.00 44.15 O ATOM 0 H GLU A 71 -7.434 3.516 10.224 1.00 73.24 H new ATOM 0 HA GLU A 71 -9.707 3.600 12.039 1.00 73.31 H new ATOM 0 HB2 GLU A 71 -7.418 5.562 11.648 1.00 3.21 H new ATOM 0 HB3 GLU A 71 -8.516 5.489 13.012 1.00 3.21 H new ATOM 0 HG2 GLU A 71 -7.634 3.175 13.513 1.00 32.53 H new ATOM 0 HG3 GLU A 71 -6.451 3.401 12.240 1.00 32.53 H new ATOM 398 N LEU A 72 -9.548 5.371 9.347 1.00 74.31 N ATOM 399 CA LEU A 72 -10.235 6.348 8.512 1.00 11.25 C ATOM 400 C LEU A 72 -11.378 5.710 7.723 1.00 72.21 C ATOM 401 O LEU A 72 -12.548 6.013 7.951 1.00 0.55 O ATOM 402 CB LEU A 72 -9.247 7.016 7.553 1.00 24.03 C ATOM 403 CG LEU A 72 -8.160 7.860 8.223 1.00 42.41 C ATOM 404 CD1 LEU A 72 -7.212 8.433 7.183 1.00 3.14 C ATOM 405 CD2 LEU A 72 -8.785 8.980 9.041 1.00 14.43 C ATOM 0 H LEU A 72 -8.816 4.847 8.868 1.00 74.31 H new ATOM 0 HA LEU A 72 -10.663 7.103 9.172 1.00 11.25 H new ATOM 0 HB2 LEU A 72 -8.767 6.242 6.954 1.00 24.03 H new ATOM 0 HB3 LEU A 72 -9.805 7.651 6.865 1.00 24.03 H new ATOM 0 HG LEU A 72 -7.590 7.216 8.893 1.00 42.41 H new ATOM 0 HD11 LEU A 72 -6.446 9.030 7.678 1.00 3.14 H new ATOM 0 HD12 LEU A 72 -6.739 7.619 6.634 1.00 3.14 H new ATOM 0 HD13 LEU A 72 -7.770 9.062 6.489 1.00 3.14 H new ATOM 0 HD21 LEU A 72 -7.998 9.570 9.511 1.00 14.43 H new ATOM 0 HD22 LEU A 72 -9.378 9.620 8.388 1.00 14.43 H new ATOM 0 HD23 LEU A 72 -9.427 8.553 9.811 1.00 14.43 H new ATOM 417 N ARG A 73 -11.040 4.823 6.797 1.00 34.51 N ATOM 418 CA ARG A 73 -12.040 4.214 5.926 1.00 21.34 C ATOM 419 C ARG A 73 -12.118 2.705 6.134 1.00 53.23 C ATOM 420 O ARG A 73 -11.314 2.120 6.857 1.00 74.22 O ATOM 421 CB ARG A 73 -11.720 4.498 4.457 1.00 2.22 C ATOM 422 CG ARG A 73 -11.958 5.937 4.014 1.00 24.31 C ATOM 423 CD ARG A 73 -13.429 6.324 4.101 1.00 15.05 C ATOM 424 NE ARG A 73 -13.807 7.271 3.048 1.00 23.02 N ATOM 425 CZ ARG A 73 -14.303 8.491 3.266 1.00 42.51 C ATOM 426 NH1 ARG A 73 -14.468 8.947 4.504 1.00 41.42 N ATOM 427 NH2 ARG A 73 -14.640 9.250 2.233 1.00 74.00 N ATOM 0 H ARG A 73 -10.084 4.509 6.629 1.00 34.51 H new ATOM 0 HA ARG A 73 -13.003 4.655 6.185 1.00 21.34 H new ATOM 0 HB2 ARG A 73 -10.676 4.244 4.272 1.00 2.22 H new ATOM 0 HB3 ARG A 73 -12.323 3.837 3.835 1.00 2.22 H new ATOM 0 HG2 ARG A 73 -11.368 6.610 4.636 1.00 24.31 H new ATOM 0 HG3 ARG A 73 -11.610 6.063 2.989 1.00 24.31 H new ATOM 0 HD2 ARG A 73 -14.045 5.428 4.023 1.00 15.05 H new ATOM 0 HD3 ARG A 73 -13.631 6.766 5.077 1.00 15.05 H new ATOM 0 HE ARG A 73 -13.682 6.977 2.079 1.00 23.02 H new ATOM 0 HH11 ARG A 73 -14.215 8.363 5.301 1.00 41.42 H new ATOM 0 HH12 ARG A 73 -14.848 9.881 4.657 1.00 41.42 H new ATOM 0 HH21 ARG A 73 -14.519 8.900 1.282 1.00 74.00 H new ATOM 0 HH22 ARG A 73 -15.020 10.184 2.389 1.00 74.00 H new ATOM 441 N HIS A 74 -13.100 2.091 5.490 1.00 74.03 N ATOM 442 CA HIS A 74 -13.244 0.642 5.488 1.00 53.13 C ATOM 443 C HIS A 74 -13.311 0.144 4.050 1.00 2.45 C ATOM 444 O HIS A 74 -13.526 0.938 3.131 1.00 62.14 O ATOM 445 CB HIS A 74 -14.498 0.217 6.261 1.00 34.43 C ATOM 446 CG HIS A 74 -15.769 0.858 5.785 1.00 71.21 C ATOM 447 ND1 HIS A 74 -16.469 1.798 6.506 1.00 32.13 N ATOM 448 CD2 HIS A 74 -16.466 0.677 4.635 1.00 74.00 C ATOM 449 CE1 HIS A 74 -17.544 2.151 5.793 1.00 71.24 C ATOM 450 NE2 HIS A 74 -17.588 1.499 4.645 1.00 75.04 N ATOM 0 H HIS A 74 -13.817 2.581 4.956 1.00 74.03 H new ATOM 0 HA HIS A 74 -12.380 0.199 5.984 1.00 53.13 H new ATOM 0 HB2 HIS A 74 -14.603 -0.866 6.191 1.00 34.43 H new ATOM 0 HB3 HIS A 74 -14.358 0.456 7.315 1.00 34.43 H new ATOM 0 HD2 HIS A 74 -16.193 0.001 3.838 1.00 74.00 H new ATOM 0 HE1 HIS A 74 -18.279 2.874 6.114 1.00 71.24 H new ATOM 0 HE2 HIS A 74 -18.298 1.581 3.917 1.00 75.04 H new ATOM 458 N GLY A 75 -13.126 -1.157 3.850 1.00 33.12 N ATOM 459 CA GLY A 75 -13.155 -1.699 2.508 1.00 2.02 C ATOM 460 C GLY A 75 -11.839 -1.477 1.801 1.00 13.21 C ATOM 461 O GLY A 75 -11.766 -1.497 0.576 1.00 60.03 O ATOM 0 H GLY A 75 -12.958 -1.840 4.589 1.00 33.12 H new ATOM 0 HA2 GLY A 75 -13.374 -2.766 2.549 1.00 2.02 H new ATOM 0 HA3 GLY A 75 -13.959 -1.230 1.941 1.00 2.02 H new ATOM 465 N LEU A 76 -10.798 -1.260 2.591 1.00 24.04 N ATOM 466 CA LEU A 76 -9.464 -1.037 2.070 1.00 3.53 C ATOM 467 C LEU A 76 -8.767 -2.371 1.828 1.00 25.32 C ATOM 468 O LEU A 76 -8.320 -3.039 2.761 1.00 30.43 O ATOM 469 CB LEU A 76 -8.637 -0.144 3.017 1.00 12.12 C ATOM 470 CG LEU A 76 -8.457 -0.642 4.464 1.00 33.43 C ATOM 471 CD1 LEU A 76 -7.342 0.132 5.148 1.00 74.50 C ATOM 472 CD2 LEU A 76 -9.743 -0.498 5.267 1.00 62.51 C ATOM 0 H LEU A 76 -10.857 -1.234 3.609 1.00 24.04 H new ATOM 0 HA LEU A 76 -9.549 -0.512 1.119 1.00 3.53 H new ATOM 0 HB2 LEU A 76 -7.648 -0.009 2.579 1.00 12.12 H new ATOM 0 HB3 LEU A 76 -9.106 0.839 3.052 1.00 12.12 H new ATOM 0 HG LEU A 76 -8.197 -1.700 4.420 1.00 33.43 H new ATOM 0 HD11 LEU A 76 -7.223 -0.228 6.170 1.00 74.50 H new ATOM 0 HD12 LEU A 76 -6.410 -0.013 4.602 1.00 74.50 H new ATOM 0 HD13 LEU A 76 -7.592 1.193 5.164 1.00 74.50 H new ATOM 0 HD21 LEU A 76 -9.580 -0.859 6.283 1.00 62.51 H new ATOM 0 HD22 LEU A 76 -10.037 0.551 5.297 1.00 62.51 H new ATOM 0 HD23 LEU A 76 -10.533 -1.083 4.797 1.00 62.51 H new ATOM 484 N ILE A 77 -8.719 -2.775 0.574 1.00 64.50 N ATOM 485 CA ILE A 77 -8.118 -4.047 0.210 1.00 35.03 C ATOM 486 C ILE A 77 -6.660 -3.865 -0.178 1.00 54.32 C ATOM 487 O ILE A 77 -6.361 -3.242 -1.194 1.00 52.10 O ATOM 488 CB ILE A 77 -8.858 -4.723 -0.968 1.00 62.12 C ATOM 489 CG1 ILE A 77 -10.353 -4.835 -0.676 1.00 63.11 C ATOM 490 CG2 ILE A 77 -8.269 -6.098 -1.256 1.00 62.14 C ATOM 491 CD1 ILE A 77 -11.187 -3.815 -1.418 1.00 61.10 C ATOM 0 H ILE A 77 -9.089 -2.241 -0.213 1.00 64.50 H new ATOM 0 HA ILE A 77 -8.195 -4.687 1.089 1.00 35.03 H new ATOM 0 HB ILE A 77 -8.726 -4.099 -1.852 1.00 62.12 H new ATOM 0 HG12 ILE A 77 -10.694 -5.835 -0.942 1.00 63.11 H new ATOM 0 HG13 ILE A 77 -10.516 -4.717 0.395 1.00 63.11 H new ATOM 0 HG21 ILE A 77 -8.804 -6.556 -2.088 1.00 62.14 H new ATOM 0 HG22 ILE A 77 -7.215 -5.995 -1.515 1.00 62.14 H new ATOM 0 HG23 ILE A 77 -8.366 -6.728 -0.372 1.00 62.14 H new ATOM 0 HD11 ILE A 77 -12.238 -3.951 -1.165 1.00 61.10 H new ATOM 0 HD12 ILE A 77 -10.872 -2.811 -1.133 1.00 61.10 H new ATOM 0 HD13 ILE A 77 -11.052 -3.947 -2.492 1.00 61.10 H new ATOM 503 N TYR A 78 -5.759 -4.390 0.641 1.00 32.03 N ATOM 504 CA TYR A 78 -4.349 -4.407 0.293 1.00 1.35 C ATOM 505 C TYR A 78 -4.029 -5.676 -0.471 1.00 53.50 C ATOM 506 O TYR A 78 -4.018 -6.771 0.095 1.00 41.52 O ATOM 507 CB TYR A 78 -3.465 -4.316 1.533 1.00 73.11 C ATOM 508 CG TYR A 78 -3.628 -3.035 2.302 1.00 75.33 C ATOM 509 CD1 TYR A 78 -2.847 -1.928 2.007 1.00 50.40 C ATOM 510 CD2 TYR A 78 -4.552 -2.937 3.332 1.00 51.34 C ATOM 511 CE1 TYR A 78 -2.979 -0.754 2.723 1.00 41.32 C ATOM 512 CE2 TYR A 78 -4.694 -1.769 4.048 1.00 61.35 C ATOM 513 CZ TYR A 78 -3.906 -0.681 3.742 1.00 24.04 C ATOM 514 OH TYR A 78 -4.045 0.481 4.460 1.00 60.42 O ATOM 0 H TYR A 78 -5.979 -4.807 1.545 1.00 32.03 H new ATOM 0 HA TYR A 78 -4.144 -3.536 -0.330 1.00 1.35 H new ATOM 0 HB2 TYR A 78 -3.691 -5.155 2.191 1.00 73.11 H new ATOM 0 HB3 TYR A 78 -2.422 -4.418 1.233 1.00 73.11 H new ATOM 0 HD1 TYR A 78 -2.125 -1.984 1.206 1.00 50.40 H new ATOM 0 HD2 TYR A 78 -5.169 -3.789 3.576 1.00 51.34 H new ATOM 0 HE1 TYR A 78 -2.361 0.100 2.487 1.00 41.32 H new ATOM 0 HE2 TYR A 78 -5.420 -1.706 4.846 1.00 61.35 H new ATOM 0 HH TYR A 78 -4.378 0.273 5.358 1.00 60.42 H new ATOM 524 N LYS A 79 -3.773 -5.524 -1.751 1.00 42.54 N ATOM 525 CA LYS A 79 -3.551 -6.662 -2.626 1.00 3.01 C ATOM 526 C LYS A 79 -2.251 -6.492 -3.398 1.00 1.55 C ATOM 527 O LYS A 79 -2.007 -5.444 -3.999 1.00 2.45 O ATOM 528 CB LYS A 79 -4.748 -6.830 -3.575 1.00 44.00 C ATOM 529 CG LYS A 79 -5.162 -5.539 -4.260 1.00 14.34 C ATOM 530 CD LYS A 79 -6.534 -5.642 -4.911 1.00 1.32 C ATOM 531 CE LYS A 79 -7.079 -4.265 -5.268 1.00 35.14 C ATOM 532 NZ LYS A 79 -8.339 -4.341 -6.056 1.00 24.21 N ATOM 0 H LYS A 79 -3.712 -4.618 -2.215 1.00 42.54 H new ATOM 0 HA LYS A 79 -3.462 -7.567 -2.024 1.00 3.01 H new ATOM 0 HB2 LYS A 79 -4.499 -7.571 -4.334 1.00 44.00 H new ATOM 0 HB3 LYS A 79 -5.596 -7.222 -3.013 1.00 44.00 H new ATOM 0 HG2 LYS A 79 -5.169 -4.730 -3.530 1.00 14.34 H new ATOM 0 HG3 LYS A 79 -4.422 -5.279 -5.017 1.00 14.34 H new ATOM 0 HD2 LYS A 79 -6.468 -6.254 -5.810 1.00 1.32 H new ATOM 0 HD3 LYS A 79 -7.224 -6.145 -4.233 1.00 1.32 H new ATOM 0 HE2 LYS A 79 -7.259 -3.700 -4.353 1.00 35.14 H new ATOM 0 HE3 LYS A 79 -6.329 -3.717 -5.839 1.00 35.14 H new ATOM 0 HZ1 LYS A 79 -8.716 -3.383 -6.202 1.00 24.21 H new ATOM 0 HZ2 LYS A 79 -8.146 -4.781 -6.978 1.00 24.21 H new ATOM 0 HZ3 LYS A 79 -9.038 -4.912 -5.539 1.00 24.21 H new ATOM 546 N LEU A 80 -1.405 -7.512 -3.345 1.00 50.44 N ATOM 547 CA LEU A 80 -0.134 -7.494 -4.051 1.00 32.25 C ATOM 548 C LEU A 80 -0.373 -7.689 -5.539 1.00 10.51 C ATOM 549 O LEU A 80 -0.575 -8.812 -6.001 1.00 1.22 O ATOM 550 CB LEU A 80 0.790 -8.595 -3.513 1.00 0.14 C ATOM 551 CG LEU A 80 2.195 -8.624 -4.118 1.00 44.34 C ATOM 552 CD1 LEU A 80 2.985 -7.395 -3.703 1.00 42.13 C ATOM 553 CD2 LEU A 80 2.924 -9.893 -3.711 1.00 73.32 C ATOM 0 H LEU A 80 -1.579 -8.367 -2.816 1.00 50.44 H new ATOM 0 HA LEU A 80 0.348 -6.530 -3.890 1.00 32.25 H new ATOM 0 HB2 LEU A 80 0.880 -8.475 -2.433 1.00 0.14 H new ATOM 0 HB3 LEU A 80 0.317 -9.561 -3.688 1.00 0.14 H new ATOM 0 HG LEU A 80 2.100 -8.616 -5.204 1.00 44.34 H new ATOM 0 HD11 LEU A 80 3.981 -7.436 -4.144 1.00 42.13 H new ATOM 0 HD12 LEU A 80 2.471 -6.498 -4.050 1.00 42.13 H new ATOM 0 HD13 LEU A 80 3.071 -7.367 -2.617 1.00 42.13 H new ATOM 0 HD21 LEU A 80 3.921 -9.896 -4.150 1.00 73.32 H new ATOM 0 HD22 LEU A 80 3.006 -9.933 -2.625 1.00 73.32 H new ATOM 0 HD23 LEU A 80 2.368 -10.761 -4.065 1.00 73.32 H new ATOM 565 N GLU A 81 -0.367 -6.601 -6.291 1.00 52.22 N ATOM 566 CA GLU A 81 -0.694 -6.681 -7.704 1.00 62.04 C ATOM 567 C GLU A 81 0.518 -7.113 -8.526 1.00 14.34 C ATOM 568 O GLU A 81 0.376 -7.748 -9.573 1.00 14.43 O ATOM 569 CB GLU A 81 -1.261 -5.359 -8.236 1.00 55.53 C ATOM 570 CG GLU A 81 -0.392 -4.137 -7.984 1.00 71.04 C ATOM 571 CD GLU A 81 -0.808 -2.962 -8.855 1.00 35.41 C ATOM 572 OE1 GLU A 81 -1.844 -2.329 -8.565 1.00 74.30 O ATOM 573 OE2 GLU A 81 -0.110 -2.685 -9.852 1.00 12.52 O ATOM 0 H GLU A 81 -0.143 -5.665 -5.953 1.00 52.22 H new ATOM 0 HA GLU A 81 -1.470 -7.439 -7.809 1.00 62.04 H new ATOM 0 HB2 GLU A 81 -1.422 -5.456 -9.310 1.00 55.53 H new ATOM 0 HB3 GLU A 81 -2.237 -5.191 -7.782 1.00 55.53 H new ATOM 0 HG2 GLU A 81 -0.459 -3.853 -6.934 1.00 71.04 H new ATOM 0 HG3 GLU A 81 0.651 -4.385 -8.181 1.00 71.04 H new ATOM 580 N SER A 82 1.711 -6.783 -8.047 1.00 42.23 N ATOM 581 CA SER A 82 2.935 -7.119 -8.763 1.00 60.42 C ATOM 582 C SER A 82 4.111 -7.293 -7.805 1.00 51.13 C ATOM 583 O SER A 82 4.160 -6.665 -6.745 1.00 72.11 O ATOM 584 CB SER A 82 3.266 -6.023 -9.779 1.00 42.21 C ATOM 585 OG SER A 82 2.181 -5.796 -10.664 1.00 52.41 O ATOM 0 H SER A 82 1.857 -6.285 -7.169 1.00 42.23 H new ATOM 0 HA SER A 82 2.769 -8.064 -9.280 1.00 60.42 H new ATOM 0 HB2 SER A 82 3.509 -5.099 -9.254 1.00 42.21 H new ATOM 0 HB3 SER A 82 4.150 -6.308 -10.350 1.00 42.21 H new ATOM 0 HG SER A 82 2.420 -5.090 -11.301 1.00 52.41 H new ATOM 591 N GLN A 83 5.045 -8.153 -8.181 1.00 21.11 N ATOM 592 CA GLN A 83 6.283 -8.319 -7.434 1.00 40.10 C ATOM 593 C GLN A 83 7.398 -8.725 -8.389 1.00 62.21 C ATOM 594 O GLN A 83 7.325 -9.775 -9.023 1.00 33.50 O ATOM 595 CB GLN A 83 6.115 -9.365 -6.322 1.00 14.24 C ATOM 596 CG GLN A 83 7.262 -9.390 -5.312 1.00 13.50 C ATOM 597 CD GLN A 83 8.489 -10.128 -5.809 1.00 64.40 C ATOM 598 OE1 GLN A 83 8.384 -11.106 -6.547 1.00 2.15 O ATOM 599 NE2 GLN A 83 9.662 -9.651 -5.424 1.00 51.32 N ATOM 0 H GLN A 83 4.968 -8.750 -9.004 1.00 21.11 H new ATOM 0 HA GLN A 83 6.542 -7.372 -6.961 1.00 40.10 H new ATOM 0 HB2 GLN A 83 5.183 -9.170 -5.792 1.00 14.24 H new ATOM 0 HB3 GLN A 83 6.023 -10.352 -6.776 1.00 14.24 H new ATOM 0 HG2 GLN A 83 7.540 -8.366 -5.064 1.00 13.50 H new ATOM 0 HG3 GLN A 83 6.914 -9.858 -4.391 1.00 13.50 H new ATOM 0 HE21 GLN A 83 9.705 -8.837 -4.811 1.00 51.32 H new ATOM 0 HE22 GLN A 83 10.523 -10.097 -5.741 1.00 51.32 H new ATOM 608 N THR A 84 8.412 -7.879 -8.494 1.00 64.33 N ATOM 609 CA THR A 84 9.550 -8.129 -9.369 1.00 34.03 C ATOM 610 C THR A 84 10.796 -7.449 -8.813 1.00 55.05 C ATOM 611 O THR A 84 10.693 -6.481 -8.060 1.00 20.50 O ATOM 612 CB THR A 84 9.289 -7.609 -10.801 1.00 11.11 C ATOM 613 OG1 THR A 84 8.592 -6.354 -10.751 1.00 34.12 O ATOM 614 CG2 THR A 84 8.491 -8.609 -11.625 1.00 74.31 C ATOM 0 H THR A 84 8.470 -7.002 -7.977 1.00 64.33 H new ATOM 0 HA THR A 84 9.700 -9.208 -9.413 1.00 34.03 H new ATOM 0 HB THR A 84 10.256 -7.471 -11.284 1.00 11.11 H new ATOM 0 HG1 THR A 84 8.433 -6.032 -11.663 1.00 34.12 H new ATOM 0 HG21 THR A 84 8.327 -8.208 -12.625 1.00 74.31 H new ATOM 0 HG22 THR A 84 9.044 -9.546 -11.695 1.00 74.31 H new ATOM 0 HG23 THR A 84 7.529 -8.791 -11.145 1.00 74.31 H new ATOM 622 N GLY A 85 11.965 -7.964 -9.157 1.00 44.24 N ATOM 623 CA GLY A 85 13.198 -7.326 -8.745 1.00 44.21 C ATOM 624 C GLY A 85 14.259 -8.319 -8.319 1.00 1.10 C ATOM 625 O GLY A 85 13.999 -9.522 -8.269 1.00 41.23 O ATOM 0 H GLY A 85 12.083 -8.811 -9.713 1.00 44.24 H new ATOM 0 HA2 GLY A 85 13.582 -6.722 -9.567 1.00 44.21 H new ATOM 0 HA3 GLY A 85 12.991 -6.646 -7.919 1.00 44.21 H new ATOM 629 N PRO A 86 15.466 -7.831 -7.996 1.00 65.43 N ATOM 630 CA PRO A 86 16.578 -8.681 -7.554 1.00 31.42 C ATOM 631 C PRO A 86 16.314 -9.296 -6.184 1.00 64.04 C ATOM 632 O PRO A 86 15.350 -8.939 -5.511 1.00 14.10 O ATOM 633 CB PRO A 86 17.756 -7.709 -7.483 1.00 33.22 C ATOM 634 CG PRO A 86 17.130 -6.377 -7.261 1.00 14.34 C ATOM 635 CD PRO A 86 15.838 -6.404 -8.024 1.00 73.24 C ATOM 0 HA PRO A 86 16.745 -9.525 -8.223 1.00 31.42 H new ATOM 0 HB2 PRO A 86 18.435 -7.968 -6.671 1.00 33.22 H new ATOM 0 HB3 PRO A 86 18.339 -7.725 -8.404 1.00 33.22 H new ATOM 0 HG2 PRO A 86 16.955 -6.199 -6.200 1.00 14.34 H new ATOM 0 HG3 PRO A 86 17.778 -5.576 -7.616 1.00 14.34 H new ATOM 0 HD2 PRO A 86 15.078 -5.780 -7.554 1.00 73.24 H new ATOM 0 HD3 PRO A 86 15.964 -6.040 -9.044 1.00 73.24 H new ATOM 643 N VAL A 87 17.174 -10.211 -5.763 1.00 73.41 N ATOM 644 CA VAL A 87 16.992 -10.880 -4.486 1.00 73.11 C ATOM 645 C VAL A 87 17.492 -10.006 -3.333 1.00 22.43 C ATOM 646 O VAL A 87 16.987 -10.093 -2.211 1.00 21.32 O ATOM 647 CB VAL A 87 17.691 -12.262 -4.467 1.00 40.24 C ATOM 648 CG1 VAL A 87 19.197 -12.124 -4.604 1.00 52.35 C ATOM 649 CG2 VAL A 87 17.330 -13.040 -3.210 1.00 74.42 C ATOM 0 H VAL A 87 18.000 -10.505 -6.284 1.00 73.41 H new ATOM 0 HA VAL A 87 15.923 -11.045 -4.352 1.00 73.11 H new ATOM 0 HB VAL A 87 17.330 -12.824 -5.328 1.00 40.24 H new ATOM 0 HG11 VAL A 87 19.656 -13.112 -4.587 1.00 52.35 H new ATOM 0 HG12 VAL A 87 19.433 -11.631 -5.547 1.00 52.35 H new ATOM 0 HG13 VAL A 87 19.585 -11.530 -3.777 1.00 52.35 H new ATOM 0 HG21 VAL A 87 17.834 -14.006 -3.223 1.00 74.42 H new ATOM 0 HG22 VAL A 87 17.645 -12.478 -2.331 1.00 74.42 H new ATOM 0 HG23 VAL A 87 16.252 -13.194 -3.175 1.00 74.42 H new ATOM 659 N HIS A 88 18.466 -9.142 -3.615 1.00 32.04 N ATOM 660 CA HIS A 88 19.006 -8.256 -2.589 1.00 42.24 C ATOM 661 C HIS A 88 18.030 -7.117 -2.293 1.00 4.15 C ATOM 662 O HIS A 88 18.016 -6.569 -1.191 1.00 3.24 O ATOM 663 CB HIS A 88 20.385 -7.701 -2.996 1.00 62.01 C ATOM 664 CG HIS A 88 20.363 -6.684 -4.106 1.00 70.51 C ATOM 665 ND1 HIS A 88 20.509 -6.994 -5.438 1.00 21.45 N ATOM 666 CD2 HIS A 88 20.223 -5.332 -4.053 1.00 44.13 C ATOM 667 CE1 HIS A 88 20.452 -5.853 -6.138 1.00 74.02 C ATOM 668 NE2 HIS A 88 20.281 -4.816 -5.345 1.00 54.23 N ATOM 0 H HIS A 88 18.893 -9.038 -4.536 1.00 32.04 H new ATOM 0 HA HIS A 88 19.140 -8.841 -1.679 1.00 42.24 H new ATOM 0 HB2 HIS A 88 20.850 -7.249 -2.120 1.00 62.01 H new ATOM 0 HB3 HIS A 88 21.019 -8.534 -3.300 1.00 62.01 H new ATOM 0 HD2 HIS A 88 20.088 -4.751 -3.152 1.00 44.13 H new ATOM 0 HE1 HIS A 88 20.535 -5.792 -7.213 1.00 74.02 H new ATOM 0 HE2 HIS A 88 20.206 -3.837 -5.620 1.00 54.23 H new ATOM 676 N ALA A 89 17.215 -6.770 -3.283 1.00 10.31 N ATOM 677 CA ALA A 89 16.220 -5.721 -3.122 1.00 44.14 C ATOM 678 C ALA A 89 15.046 -5.944 -4.070 1.00 64.21 C ATOM 679 O ALA A 89 14.946 -5.294 -5.109 1.00 21.01 O ATOM 680 CB ALA A 89 16.838 -4.349 -3.361 1.00 34.05 C ATOM 0 H ALA A 89 17.226 -7.202 -4.207 1.00 10.31 H new ATOM 0 HA ALA A 89 15.851 -5.759 -2.097 1.00 44.14 H new ATOM 0 HB1 ALA A 89 16.076 -3.580 -3.235 1.00 34.05 H new ATOM 0 HB2 ALA A 89 17.643 -4.183 -2.645 1.00 34.05 H new ATOM 0 HB3 ALA A 89 17.238 -4.302 -4.374 1.00 34.05 H new ATOM 686 N PRO A 90 14.153 -6.884 -3.736 1.00 75.31 N ATOM 687 CA PRO A 90 12.977 -7.164 -4.551 1.00 24.23 C ATOM 688 C PRO A 90 11.889 -6.133 -4.327 1.00 71.13 C ATOM 689 O PRO A 90 11.691 -5.662 -3.210 1.00 43.40 O ATOM 690 CB PRO A 90 12.523 -8.537 -4.071 1.00 22.35 C ATOM 691 CG PRO A 90 13.012 -8.642 -2.663 1.00 71.10 C ATOM 692 CD PRO A 90 14.221 -7.747 -2.545 1.00 41.40 C ATOM 0 HA PRO A 90 13.196 -7.134 -5.618 1.00 24.23 H new ATOM 0 HB2 PRO A 90 11.438 -8.632 -4.119 1.00 22.35 H new ATOM 0 HB3 PRO A 90 12.940 -9.329 -4.693 1.00 22.35 H new ATOM 0 HG2 PRO A 90 12.236 -8.335 -1.962 1.00 71.10 H new ATOM 0 HG3 PRO A 90 13.271 -9.673 -2.421 1.00 71.10 H new ATOM 0 HD2 PRO A 90 14.193 -7.160 -1.627 1.00 41.40 H new ATOM 0 HD3 PRO A 90 15.144 -8.326 -2.526 1.00 41.40 H new ATOM 700 N LEU A 91 11.189 -5.776 -5.383 1.00 2.31 N ATOM 701 CA LEU A 91 10.157 -4.773 -5.277 1.00 41.43 C ATOM 702 C LEU A 91 8.787 -5.419 -5.175 1.00 71.30 C ATOM 703 O LEU A 91 8.437 -6.311 -5.952 1.00 43.25 O ATOM 704 CB LEU A 91 10.186 -3.820 -6.463 1.00 30.31 C ATOM 705 CG LEU A 91 9.238 -2.633 -6.333 1.00 14.32 C ATOM 706 CD1 LEU A 91 9.766 -1.626 -5.324 1.00 74.34 C ATOM 707 CD2 LEU A 91 9.017 -1.982 -7.679 1.00 52.43 C ATOM 0 H LEU A 91 11.316 -6.164 -6.318 1.00 2.31 H new ATOM 0 HA LEU A 91 10.351 -4.202 -4.369 1.00 41.43 H new ATOM 0 HB2 LEU A 91 11.202 -3.447 -6.590 1.00 30.31 H new ATOM 0 HB3 LEU A 91 9.934 -4.375 -7.367 1.00 30.31 H new ATOM 0 HG LEU A 91 8.278 -3.000 -5.969 1.00 14.32 H new ATOM 0 HD11 LEU A 91 9.073 -0.788 -5.249 1.00 74.34 H new ATOM 0 HD12 LEU A 91 9.864 -2.105 -4.350 1.00 74.34 H new ATOM 0 HD13 LEU A 91 10.741 -1.262 -5.649 1.00 74.34 H new ATOM 0 HD21 LEU A 91 8.338 -1.137 -7.567 1.00 52.43 H new ATOM 0 HD22 LEU A 91 9.970 -1.632 -8.075 1.00 52.43 H new ATOM 0 HD23 LEU A 91 8.583 -2.707 -8.367 1.00 52.43 H new ATOM 719 N PHE A 92 8.025 -4.959 -4.210 1.00 33.34 N ATOM 720 CA PHE A 92 6.675 -5.431 -3.997 1.00 32.43 C ATOM 721 C PHE A 92 5.716 -4.292 -4.266 1.00 62.32 C ATOM 722 O PHE A 92 5.956 -3.161 -3.846 1.00 50.14 O ATOM 723 CB PHE A 92 6.496 -5.954 -2.568 1.00 53.43 C ATOM 724 CG PHE A 92 7.258 -7.219 -2.282 1.00 61.43 C ATOM 725 CD1 PHE A 92 8.645 -7.232 -2.305 1.00 21.20 C ATOM 726 CD2 PHE A 92 6.587 -8.390 -1.979 1.00 60.42 C ATOM 727 CE1 PHE A 92 9.345 -8.390 -2.031 1.00 73.00 C ATOM 728 CE2 PHE A 92 7.282 -9.554 -1.705 1.00 4.33 C ATOM 729 CZ PHE A 92 8.663 -9.553 -1.731 1.00 51.42 C ATOM 0 H PHE A 92 8.325 -4.244 -3.547 1.00 33.34 H new ATOM 0 HA PHE A 92 6.470 -6.257 -4.677 1.00 32.43 H new ATOM 0 HB2 PHE A 92 6.815 -5.183 -1.867 1.00 53.43 H new ATOM 0 HB3 PHE A 92 5.436 -6.131 -2.387 1.00 53.43 H new ATOM 0 HD1 PHE A 92 9.183 -6.326 -2.540 1.00 21.20 H new ATOM 0 HD2 PHE A 92 5.507 -8.395 -1.956 1.00 60.42 H new ATOM 0 HE1 PHE A 92 10.425 -8.386 -2.051 1.00 73.00 H new ATOM 0 HE2 PHE A 92 6.746 -10.462 -1.471 1.00 4.33 H new ATOM 0 HZ PHE A 92 9.209 -10.460 -1.517 1.00 51.42 H new ATOM 739 N THR A 93 4.652 -4.582 -4.979 1.00 25.41 N ATOM 740 CA THR A 93 3.709 -3.561 -5.367 1.00 4.10 C ATOM 741 C THR A 93 2.328 -3.877 -4.813 1.00 4.42 C ATOM 742 O THR A 93 1.608 -4.732 -5.335 1.00 41.54 O ATOM 743 CB THR A 93 3.656 -3.430 -6.898 1.00 23.52 C ATOM 744 OG1 THR A 93 4.990 -3.284 -7.408 1.00 42.30 O ATOM 745 CG2 THR A 93 2.821 -2.237 -7.320 1.00 43.20 C ATOM 0 H THR A 93 4.418 -5.521 -5.303 1.00 25.41 H new ATOM 0 HA THR A 93 4.040 -2.609 -4.951 1.00 4.10 H new ATOM 0 HB THR A 93 3.194 -4.330 -7.304 1.00 23.52 H new ATOM 0 HG1 THR A 93 4.954 -3.090 -8.368 1.00 42.30 H new ATOM 0 HG21 THR A 93 2.803 -2.172 -8.408 1.00 43.20 H new ATOM 0 HG22 THR A 93 1.804 -2.355 -6.947 1.00 43.20 H new ATOM 0 HG23 THR A 93 3.255 -1.325 -6.909 1.00 43.20 H new ATOM 753 N ILE A 94 1.988 -3.206 -3.731 1.00 63.10 N ATOM 754 CA ILE A 94 0.715 -3.406 -3.067 1.00 62.43 C ATOM 755 C ILE A 94 -0.271 -2.343 -3.511 1.00 13.01 C ATOM 756 O ILE A 94 0.021 -1.147 -3.473 1.00 12.12 O ATOM 757 CB ILE A 94 0.876 -3.365 -1.530 1.00 32.11 C ATOM 758 CG1 ILE A 94 1.663 -4.590 -1.054 1.00 64.03 C ATOM 759 CG2 ILE A 94 -0.479 -3.279 -0.830 1.00 72.04 C ATOM 760 CD1 ILE A 94 0.833 -5.848 -0.922 1.00 32.41 C ATOM 0 H ILE A 94 2.585 -2.508 -3.288 1.00 63.10 H new ATOM 0 HA ILE A 94 0.337 -4.390 -3.344 1.00 62.43 H new ATOM 0 HB ILE A 94 1.433 -2.466 -1.267 1.00 32.11 H new ATOM 0 HG12 ILE A 94 2.478 -4.778 -1.753 1.00 64.03 H new ATOM 0 HG13 ILE A 94 2.116 -4.364 -0.089 1.00 64.03 H new ATOM 0 HG21 ILE A 94 -0.330 -3.252 0.249 1.00 72.04 H new ATOM 0 HG22 ILE A 94 -0.996 -2.373 -1.148 1.00 72.04 H new ATOM 0 HG23 ILE A 94 -1.080 -4.150 -1.092 1.00 72.04 H new ATOM 0 HD11 ILE A 94 1.466 -6.667 -0.581 1.00 32.41 H new ATOM 0 HD12 ILE A 94 0.033 -5.682 -0.200 1.00 32.41 H new ATOM 0 HD13 ILE A 94 0.401 -6.102 -1.890 1.00 32.41 H new ATOM 772 N SER A 95 -1.426 -2.787 -3.948 1.00 64.54 N ATOM 773 CA SER A 95 -2.475 -1.892 -4.371 1.00 62.05 C ATOM 774 C SER A 95 -3.582 -1.874 -3.335 1.00 61.23 C ATOM 775 O SER A 95 -4.115 -2.922 -2.974 1.00 51.24 O ATOM 776 CB SER A 95 -3.017 -2.327 -5.736 1.00 34.31 C ATOM 777 OG SER A 95 -3.220 -3.732 -5.795 1.00 54.45 O ATOM 0 H SER A 95 -1.664 -3.776 -4.020 1.00 64.54 H new ATOM 0 HA SER A 95 -2.072 -0.884 -4.467 1.00 62.05 H new ATOM 0 HB2 SER A 95 -3.958 -1.814 -5.935 1.00 34.31 H new ATOM 0 HB3 SER A 95 -2.319 -2.027 -6.518 1.00 34.31 H new ATOM 0 HG SER A 95 -3.845 -3.942 -6.520 1.00 54.45 H new ATOM 783 N VAL A 96 -3.897 -0.697 -2.825 1.00 63.12 N ATOM 784 CA VAL A 96 -4.997 -0.560 -1.895 1.00 24.32 C ATOM 785 C VAL A 96 -6.079 0.320 -2.500 1.00 34.12 C ATOM 786 O VAL A 96 -5.812 1.415 -2.998 1.00 4.22 O ATOM 787 CB VAL A 96 -4.556 -0.005 -0.520 1.00 22.22 C ATOM 788 CG1 VAL A 96 -3.976 1.398 -0.638 1.00 12.42 C ATOM 789 CG2 VAL A 96 -5.725 -0.030 0.456 1.00 35.25 C ATOM 0 H VAL A 96 -3.408 0.172 -3.039 1.00 63.12 H new ATOM 0 HA VAL A 96 -5.393 -1.560 -1.715 1.00 24.32 H new ATOM 0 HB VAL A 96 -3.764 -0.649 -0.136 1.00 22.22 H new ATOM 0 HG11 VAL A 96 -3.678 1.753 0.349 1.00 12.42 H new ATOM 0 HG12 VAL A 96 -3.106 1.378 -1.294 1.00 12.42 H new ATOM 0 HG13 VAL A 96 -4.728 2.069 -1.053 1.00 12.42 H new ATOM 0 HG21 VAL A 96 -5.402 0.363 1.420 1.00 35.25 H new ATOM 0 HG22 VAL A 96 -6.537 0.584 0.067 1.00 35.25 H new ATOM 0 HG23 VAL A 96 -6.073 -1.055 0.580 1.00 35.25 H new ATOM 799 N GLU A 97 -7.295 -0.180 -2.490 1.00 71.30 N ATOM 800 CA GLU A 97 -8.403 0.536 -3.077 1.00 74.45 C ATOM 801 C GLU A 97 -9.219 1.199 -1.983 1.00 32.31 C ATOM 802 O GLU A 97 -9.854 0.526 -1.174 1.00 22.31 O ATOM 803 CB GLU A 97 -9.264 -0.426 -3.878 1.00 33.25 C ATOM 804 CG GLU A 97 -10.041 0.231 -4.997 1.00 64.00 C ATOM 805 CD GLU A 97 -10.553 -0.785 -5.997 1.00 74.20 C ATOM 806 OE1 GLU A 97 -9.725 -1.434 -6.675 1.00 22.32 O ATOM 807 OE2 GLU A 97 -11.785 -0.964 -6.092 1.00 34.01 O ATOM 0 H GLU A 97 -7.541 -1.081 -2.081 1.00 71.30 H new ATOM 0 HA GLU A 97 -8.027 1.309 -3.747 1.00 74.45 H new ATOM 0 HB2 GLU A 97 -8.627 -1.203 -4.299 1.00 33.25 H new ATOM 0 HB3 GLU A 97 -9.964 -0.919 -3.204 1.00 33.25 H new ATOM 0 HG2 GLU A 97 -10.881 0.786 -4.579 1.00 64.00 H new ATOM 0 HG3 GLU A 97 -9.404 0.954 -5.507 1.00 64.00 H new ATOM 814 N VAL A 98 -9.182 2.516 -1.949 1.00 64.12 N ATOM 815 CA VAL A 98 -9.841 3.269 -0.894 1.00 51.04 C ATOM 816 C VAL A 98 -10.658 4.403 -1.483 1.00 2.22 C ATOM 817 O VAL A 98 -10.135 5.229 -2.228 1.00 22.41 O ATOM 818 CB VAL A 98 -8.833 3.855 0.123 1.00 62.15 C ATOM 819 CG1 VAL A 98 -9.565 4.604 1.229 1.00 14.03 C ATOM 820 CG2 VAL A 98 -7.959 2.761 0.715 1.00 23.15 C ATOM 0 H VAL A 98 -8.702 3.091 -2.641 1.00 64.12 H new ATOM 0 HA VAL A 98 -10.492 2.569 -0.369 1.00 51.04 H new ATOM 0 HB VAL A 98 -8.189 4.557 -0.407 1.00 62.15 H new ATOM 0 HG11 VAL A 98 -8.840 5.009 1.935 1.00 14.03 H new ATOM 0 HG12 VAL A 98 -10.144 5.419 0.795 1.00 14.03 H new ATOM 0 HG13 VAL A 98 -10.235 3.920 1.750 1.00 14.03 H new ATOM 0 HG21 VAL A 98 -7.259 3.199 1.427 1.00 23.15 H new ATOM 0 HG22 VAL A 98 -8.586 2.031 1.226 1.00 23.15 H new ATOM 0 HG23 VAL A 98 -7.404 2.267 -0.083 1.00 23.15 H new ATOM 830 N ASP A 99 -11.946 4.417 -1.155 1.00 14.10 N ATOM 831 CA ASP A 99 -12.868 5.465 -1.600 1.00 13.01 C ATOM 832 C ASP A 99 -12.956 5.508 -3.129 1.00 22.34 C ATOM 833 O ASP A 99 -13.339 6.516 -3.713 1.00 14.24 O ATOM 834 CB ASP A 99 -12.419 6.828 -1.050 1.00 24.52 C ATOM 835 CG ASP A 99 -13.573 7.794 -0.875 1.00 1.32 C ATOM 836 OD1 ASP A 99 -14.295 7.670 0.136 1.00 63.23 O ATOM 837 OD2 ASP A 99 -13.766 8.676 -1.736 1.00 21.21 O ATOM 0 H ASP A 99 -12.384 3.703 -0.573 1.00 14.10 H new ATOM 0 HA ASP A 99 -13.861 5.236 -1.213 1.00 13.01 H new ATOM 0 HB2 ASP A 99 -11.923 6.683 -0.090 1.00 24.52 H new ATOM 0 HB3 ASP A 99 -11.684 7.264 -1.726 1.00 24.52 H new ATOM 842 N GLY A 100 -12.606 4.396 -3.772 1.00 22.14 N ATOM 843 CA GLY A 100 -12.637 4.331 -5.222 1.00 74.20 C ATOM 844 C GLY A 100 -11.296 4.664 -5.838 1.00 55.04 C ATOM 845 O GLY A 100 -11.060 4.415 -7.021 1.00 53.42 O ATOM 0 H GLY A 100 -12.301 3.538 -3.313 1.00 22.14 H new ATOM 0 HA2 GLY A 100 -12.939 3.331 -5.533 1.00 74.20 H new ATOM 0 HA3 GLY A 100 -13.390 5.023 -5.599 1.00 74.20 H new ATOM 849 N GLN A 101 -10.414 5.226 -5.030 1.00 72.10 N ATOM 850 CA GLN A 101 -9.077 5.564 -5.473 1.00 60.03 C ATOM 851 C GLN A 101 -8.122 4.431 -5.170 1.00 44.01 C ATOM 852 O GLN A 101 -8.062 3.931 -4.047 1.00 11.24 O ATOM 853 CB GLN A 101 -8.598 6.854 -4.812 1.00 13.33 C ATOM 854 CG GLN A 101 -9.203 8.097 -5.433 1.00 23.52 C ATOM 855 CD GLN A 101 -8.663 8.375 -6.822 1.00 55.32 C ATOM 856 OE1 GLN A 101 -9.249 7.743 -7.826 1.00 30.43 O flip ATOM 857 NE2 GLN A 101 -7.703 9.128 -6.985 1.00 22.01 N flip ATOM 0 H GLN A 101 -10.604 5.459 -4.055 1.00 72.10 H new ATOM 0 HA GLN A 101 -9.102 5.722 -6.551 1.00 60.03 H new ATOM 0 HB2 GLN A 101 -8.847 6.826 -3.751 1.00 13.33 H new ATOM 0 HB3 GLN A 101 -7.512 6.911 -4.883 1.00 13.33 H new ATOM 0 HG2 GLN A 101 -10.286 7.983 -5.484 1.00 23.52 H new ATOM 0 HG3 GLN A 101 -9.002 8.954 -4.791 1.00 23.52 H new ATOM 0 HE21 GLN A 101 -7.280 9.596 -6.183 1.00 22.01 H new ATOM 0 HE22 GLN A 101 -7.330 9.284 -7.922 1.00 22.01 H new ATOM 866 N LYS A 102 -7.399 4.011 -6.185 1.00 24.51 N ATOM 867 CA LYS A 102 -6.436 2.948 -6.030 1.00 71.22 C ATOM 868 C LYS A 102 -5.067 3.540 -5.748 1.00 51.33 C ATOM 869 O LYS A 102 -4.419 4.105 -6.630 1.00 70.51 O ATOM 870 CB LYS A 102 -6.407 2.063 -7.279 1.00 2.44 C ATOM 871 CG LYS A 102 -5.791 0.687 -7.033 1.00 21.11 C ATOM 872 CD LYS A 102 -4.264 0.732 -7.013 1.00 22.12 C ATOM 873 CE LYS A 102 -3.673 0.828 -8.413 1.00 21.31 C ATOM 874 NZ LYS A 102 -3.771 -0.459 -9.155 1.00 13.21 N ATOM 0 H LYS A 102 -7.462 4.392 -7.129 1.00 24.51 H new ATOM 0 HA LYS A 102 -6.726 2.321 -5.187 1.00 71.22 H new ATOM 0 HB2 LYS A 102 -7.424 1.937 -7.649 1.00 2.44 H new ATOM 0 HB3 LYS A 102 -5.843 2.571 -8.062 1.00 2.44 H new ATOM 0 HG2 LYS A 102 -6.153 0.293 -6.083 1.00 21.11 H new ATOM 0 HG3 LYS A 102 -6.122 -0.001 -7.811 1.00 21.11 H new ATOM 0 HD2 LYS A 102 -3.935 1.587 -6.422 1.00 22.12 H new ATOM 0 HD3 LYS A 102 -3.882 -0.162 -6.520 1.00 22.12 H new ATOM 0 HE2 LYS A 102 -4.191 1.608 -8.971 1.00 21.31 H new ATOM 0 HE3 LYS A 102 -2.627 1.127 -8.344 1.00 21.31 H new ATOM 0 HZ1 LYS A 102 -3.988 -0.268 -10.154 1.00 13.21 H new ATOM 0 HZ2 LYS A 102 -2.867 -0.968 -9.088 1.00 13.21 H new ATOM 0 HZ3 LYS A 102 -4.527 -1.041 -8.742 1.00 13.21 H new ATOM 888 N TYR A 103 -4.647 3.424 -4.505 1.00 23.10 N ATOM 889 CA TYR A 103 -3.359 3.933 -4.086 1.00 14.11 C ATOM 890 C TYR A 103 -2.325 2.830 -4.171 1.00 55.22 C ATOM 891 O TYR A 103 -2.550 1.715 -3.693 1.00 21.01 O ATOM 892 CB TYR A 103 -3.448 4.478 -2.663 1.00 24.22 C ATOM 893 CG TYR A 103 -4.514 5.533 -2.494 1.00 2.23 C ATOM 894 CD1 TYR A 103 -4.269 6.854 -2.836 1.00 3.43 C ATOM 895 CD2 TYR A 103 -5.769 5.207 -1.996 1.00 14.40 C ATOM 896 CE1 TYR A 103 -5.239 7.822 -2.685 1.00 21.35 C ATOM 897 CE2 TYR A 103 -6.747 6.170 -1.843 1.00 13.21 C ATOM 898 CZ TYR A 103 -6.475 7.477 -2.185 1.00 25.01 C ATOM 899 OH TYR A 103 -7.443 8.443 -2.038 1.00 35.43 O ATOM 0 H TYR A 103 -5.185 2.978 -3.762 1.00 23.10 H new ATOM 0 HA TYR A 103 -3.060 4.747 -4.746 1.00 14.11 H new ATOM 0 HB2 TYR A 103 -3.650 3.655 -1.978 1.00 24.22 H new ATOM 0 HB3 TYR A 103 -2.483 4.898 -2.381 1.00 24.22 H new ATOM 0 HD1 TYR A 103 -3.301 7.130 -3.228 1.00 3.43 H new ATOM 0 HD2 TYR A 103 -5.983 4.184 -1.724 1.00 14.40 H new ATOM 0 HE1 TYR A 103 -5.031 8.846 -2.958 1.00 21.35 H new ATOM 0 HE2 TYR A 103 -7.719 5.900 -1.458 1.00 13.21 H new ATOM 0 HH TYR A 103 -8.258 8.037 -1.674 1.00 35.43 H new ATOM 909 N LEU A 104 -1.201 3.127 -4.794 1.00 11.31 N ATOM 910 CA LEU A 104 -0.183 2.119 -5.003 1.00 44.42 C ATOM 911 C LEU A 104 0.977 2.318 -4.042 1.00 32.32 C ATOM 912 O LEU A 104 1.392 3.448 -3.773 1.00 23.33 O ATOM 913 CB LEU A 104 0.323 2.153 -6.443 1.00 14.31 C ATOM 914 CG LEU A 104 0.949 0.848 -6.920 1.00 34.14 C ATOM 915 CD1 LEU A 104 -0.083 -0.264 -6.873 1.00 20.03 C ATOM 916 CD2 LEU A 104 1.512 1.002 -8.322 1.00 11.23 C ATOM 0 H LEU A 104 -0.972 4.051 -5.161 1.00 11.31 H new ATOM 0 HA LEU A 104 -0.632 1.144 -4.812 1.00 44.42 H new ATOM 0 HB2 LEU A 104 -0.508 2.406 -7.102 1.00 14.31 H new ATOM 0 HB3 LEU A 104 1.059 2.951 -6.538 1.00 14.31 H new ATOM 0 HG LEU A 104 1.774 0.590 -6.256 1.00 34.14 H new ATOM 0 HD11 LEU A 104 0.369 -1.195 -7.215 1.00 20.03 H new ATOM 0 HD12 LEU A 104 -0.438 -0.388 -5.850 1.00 20.03 H new ATOM 0 HD13 LEU A 104 -0.922 -0.009 -7.520 1.00 20.03 H new ATOM 0 HD21 LEU A 104 1.954 0.058 -8.642 1.00 11.23 H new ATOM 0 HD22 LEU A 104 0.711 1.279 -9.007 1.00 11.23 H new ATOM 0 HD23 LEU A 104 2.276 1.780 -8.324 1.00 11.23 H new ATOM 928 N GLY A 105 1.479 1.218 -3.514 1.00 42.02 N ATOM 929 CA GLY A 105 2.620 1.265 -2.637 1.00 60.31 C ATOM 930 C GLY A 105 3.687 0.299 -3.075 1.00 24.15 C ATOM 931 O GLY A 105 3.421 -0.889 -3.253 1.00 72.15 O ATOM 0 H GLY A 105 1.110 0.282 -3.681 1.00 42.02 H new ATOM 0 HA2 GLY A 105 3.027 2.276 -2.620 1.00 60.31 H new ATOM 0 HA3 GLY A 105 2.309 1.029 -1.619 1.00 60.31 H new ATOM 935 N GLN A 106 4.890 0.801 -3.265 1.00 24.04 N ATOM 936 CA GLN A 106 5.985 -0.029 -3.730 1.00 21.31 C ATOM 937 C GLN A 106 7.107 -0.025 -2.708 1.00 32.41 C ATOM 938 O GLN A 106 7.616 1.032 -2.334 1.00 23.11 O ATOM 939 CB GLN A 106 6.497 0.458 -5.085 1.00 71.34 C ATOM 940 CG GLN A 106 5.399 0.606 -6.128 1.00 51.40 C ATOM 941 CD GLN A 106 5.931 0.565 -7.544 1.00 33.44 C ATOM 942 OE1 GLN A 106 6.314 1.587 -8.112 1.00 44.24 O ATOM 943 NE2 GLN A 106 5.941 -0.621 -8.133 1.00 32.31 N ATOM 0 H GLN A 106 5.135 1.778 -3.105 1.00 24.04 H new ATOM 0 HA GLN A 106 5.620 -1.049 -3.852 1.00 21.31 H new ATOM 0 HB2 GLN A 106 6.995 1.419 -4.953 1.00 71.34 H new ATOM 0 HB3 GLN A 106 7.247 -0.241 -5.454 1.00 71.34 H new ATOM 0 HG2 GLN A 106 4.668 -0.191 -5.996 1.00 51.40 H new ATOM 0 HG3 GLN A 106 4.876 1.549 -5.968 1.00 51.40 H new ATOM 0 HE21 GLN A 106 5.615 -1.444 -7.627 1.00 32.31 H new ATOM 0 HE22 GLN A 106 6.275 -0.711 -9.093 1.00 32.31 H new ATOM 952 N GLY A 107 7.472 -1.208 -2.247 1.00 44.23 N ATOM 953 CA GLY A 107 8.512 -1.332 -1.249 1.00 21.42 C ATOM 954 C GLY A 107 9.364 -2.553 -1.485 1.00 30.24 C ATOM 955 O GLY A 107 9.162 -3.268 -2.463 1.00 32.21 O ATOM 0 H GLY A 107 7.063 -2.093 -2.548 1.00 44.23 H new ATOM 0 HA2 GLY A 107 9.140 -0.441 -1.264 1.00 21.42 H new ATOM 0 HA3 GLY A 107 8.061 -1.388 -0.258 1.00 21.42 H new ATOM 959 N ARG A 108 10.305 -2.812 -0.591 1.00 10.42 N ATOM 960 CA ARG A 108 11.226 -3.931 -0.765 1.00 50.50 C ATOM 961 C ARG A 108 10.644 -5.214 -0.168 1.00 52.11 C ATOM 962 O ARG A 108 11.290 -6.260 -0.157 1.00 14.44 O ATOM 963 CB ARG A 108 12.576 -3.620 -0.112 1.00 22.01 C ATOM 964 CG ARG A 108 13.086 -2.209 -0.380 1.00 31.30 C ATOM 965 CD ARG A 108 13.229 -1.911 -1.867 1.00 25.41 C ATOM 966 NE ARG A 108 13.631 -0.521 -2.092 1.00 14.51 N ATOM 967 CZ ARG A 108 13.848 0.027 -3.287 1.00 31.32 C ATOM 968 NH1 ARG A 108 13.722 -0.687 -4.395 1.00 21.13 N ATOM 969 NH2 ARG A 108 14.204 1.302 -3.365 1.00 12.53 N ATOM 0 H ARG A 108 10.453 -2.268 0.259 1.00 10.42 H new ATOM 0 HA ARG A 108 11.374 -4.081 -1.834 1.00 50.50 H new ATOM 0 HB2 ARG A 108 12.489 -3.765 0.965 1.00 22.01 H new ATOM 0 HB3 ARG A 108 13.315 -4.336 -0.471 1.00 22.01 H new ATOM 0 HG2 ARG A 108 12.402 -1.488 0.067 1.00 31.30 H new ATOM 0 HG3 ARG A 108 14.052 -2.077 0.108 1.00 31.30 H new ATOM 0 HD2 ARG A 108 13.968 -2.582 -2.306 1.00 25.41 H new ATOM 0 HD3 ARG A 108 12.283 -2.105 -2.372 1.00 25.41 H new ATOM 0 HE ARG A 108 13.754 0.073 -1.272 1.00 14.51 H new ATOM 0 HH11 ARG A 108 13.456 -1.670 -4.341 1.00 21.13 H new ATOM 0 HH12 ARG A 108 13.891 -0.254 -5.303 1.00 21.13 H new ATOM 0 HH21 ARG A 108 14.310 1.855 -2.514 1.00 12.53 H new ATOM 0 HH22 ARG A 108 14.372 1.730 -4.276 1.00 12.53 H new ATOM 983 N SER A 109 9.419 -5.117 0.335 1.00 74.11 N ATOM 984 CA SER A 109 8.726 -6.249 0.945 1.00 10.51 C ATOM 985 C SER A 109 7.227 -5.962 0.984 1.00 12.23 C ATOM 986 O SER A 109 6.819 -4.812 0.795 1.00 0.22 O ATOM 987 CB SER A 109 9.242 -6.495 2.368 1.00 60.04 C ATOM 988 OG SER A 109 10.646 -6.701 2.392 1.00 32.14 O ATOM 0 H SER A 109 8.877 -4.253 0.332 1.00 74.11 H new ATOM 0 HA SER A 109 8.916 -7.142 0.349 1.00 10.51 H new ATOM 0 HB2 SER A 109 8.989 -5.643 2.999 1.00 60.04 H new ATOM 0 HB3 SER A 109 8.740 -7.365 2.791 1.00 60.04 H new ATOM 0 HG SER A 109 10.958 -6.931 1.492 1.00 32.14 H new ATOM 994 N LYS A 110 6.415 -6.994 1.230 1.00 1.12 N ATOM 995 CA LYS A 110 4.966 -6.817 1.371 1.00 14.14 C ATOM 996 C LYS A 110 4.673 -5.808 2.474 1.00 52.25 C ATOM 997 O LYS A 110 3.814 -4.939 2.331 1.00 54.20 O ATOM 998 CB LYS A 110 4.278 -8.140 1.717 1.00 34.13 C ATOM 999 CG LYS A 110 4.152 -9.117 0.563 1.00 1.10 C ATOM 1000 CD LYS A 110 3.456 -10.394 1.012 1.00 12.15 C ATOM 1001 CE LYS A 110 3.060 -11.266 -0.165 1.00 4.32 C ATOM 1002 NZ LYS A 110 2.349 -12.498 0.272 1.00 63.31 N ATOM 0 H LYS A 110 6.734 -7.957 1.335 1.00 1.12 H new ATOM 0 HA LYS A 110 4.579 -6.457 0.418 1.00 14.14 H new ATOM 0 HB2 LYS A 110 4.833 -8.621 2.522 1.00 34.13 H new ATOM 0 HB3 LYS A 110 3.281 -7.924 2.102 1.00 34.13 H new ATOM 0 HG2 LYS A 110 3.590 -8.657 -0.250 1.00 1.10 H new ATOM 0 HG3 LYS A 110 5.141 -9.355 0.172 1.00 1.10 H new ATOM 0 HD2 LYS A 110 4.117 -10.955 1.673 1.00 12.15 H new ATOM 0 HD3 LYS A 110 2.568 -10.139 1.590 1.00 12.15 H new ATOM 0 HE2 LYS A 110 2.420 -10.697 -0.839 1.00 4.32 H new ATOM 0 HE3 LYS A 110 3.951 -11.542 -0.729 1.00 4.32 H new ATOM 0 HZ1 LYS A 110 2.096 -13.067 -0.561 1.00 63.31 H new ATOM 0 HZ2 LYS A 110 2.969 -13.054 0.895 1.00 63.31 H new ATOM 0 HZ3 LYS A 110 1.485 -12.236 0.788 1.00 63.31 H new ATOM 1016 N LYS A 111 5.416 -5.950 3.570 1.00 54.34 N ATOM 1017 CA LYS A 111 5.313 -5.063 4.725 1.00 52.32 C ATOM 1018 C LYS A 111 5.456 -3.603 4.305 1.00 50.21 C ATOM 1019 O LYS A 111 4.586 -2.773 4.583 1.00 44.22 O ATOM 1020 CB LYS A 111 6.408 -5.432 5.736 1.00 34.34 C ATOM 1021 CG LYS A 111 6.773 -4.315 6.700 1.00 20.44 C ATOM 1022 CD LYS A 111 8.035 -4.648 7.476 1.00 11.23 C ATOM 1023 CE LYS A 111 8.682 -3.398 8.047 1.00 73.41 C ATOM 1024 NZ LYS A 111 9.940 -3.707 8.773 1.00 20.33 N ATOM 0 H LYS A 111 6.111 -6.689 3.681 1.00 54.34 H new ATOM 0 HA LYS A 111 4.331 -5.185 5.182 1.00 52.32 H new ATOM 0 HB2 LYS A 111 6.079 -6.298 6.310 1.00 34.34 H new ATOM 0 HB3 LYS A 111 7.303 -5.732 5.191 1.00 34.34 H new ATOM 0 HG2 LYS A 111 6.918 -3.387 6.147 1.00 20.44 H new ATOM 0 HG3 LYS A 111 5.950 -4.147 7.394 1.00 20.44 H new ATOM 0 HD2 LYS A 111 7.795 -5.337 8.286 1.00 11.23 H new ATOM 0 HD3 LYS A 111 8.742 -5.159 6.822 1.00 11.23 H new ATOM 0 HE2 LYS A 111 8.892 -2.697 7.239 1.00 73.41 H new ATOM 0 HE3 LYS A 111 7.984 -2.905 8.724 1.00 73.41 H new ATOM 0 HZ1 LYS A 111 10.350 -2.827 9.147 1.00 20.33 H new ATOM 0 HZ2 LYS A 111 9.736 -4.356 9.560 1.00 20.33 H new ATOM 0 HZ3 LYS A 111 10.616 -4.154 8.121 1.00 20.33 H new ATOM 1038 N VAL A 112 6.552 -3.312 3.617 1.00 42.11 N ATOM 1039 CA VAL A 112 6.857 -1.960 3.179 1.00 53.24 C ATOM 1040 C VAL A 112 5.821 -1.472 2.175 1.00 50.30 C ATOM 1041 O VAL A 112 5.232 -0.411 2.350 1.00 4.12 O ATOM 1042 CB VAL A 112 8.265 -1.881 2.546 1.00 70.11 C ATOM 1043 CG1 VAL A 112 8.636 -0.439 2.239 1.00 35.45 C ATOM 1044 CG2 VAL A 112 9.301 -2.523 3.458 1.00 34.22 C ATOM 0 H VAL A 112 7.251 -4.005 3.349 1.00 42.11 H new ATOM 0 HA VAL A 112 6.833 -1.319 4.060 1.00 53.24 H new ATOM 0 HB VAL A 112 8.249 -2.435 1.607 1.00 70.11 H new ATOM 0 HG11 VAL A 112 9.631 -0.406 1.794 1.00 35.45 H new ATOM 0 HG12 VAL A 112 7.912 -0.018 1.541 1.00 35.45 H new ATOM 0 HG13 VAL A 112 8.632 0.142 3.161 1.00 35.45 H new ATOM 0 HG21 VAL A 112 10.285 -2.457 2.994 1.00 34.22 H new ATOM 0 HG22 VAL A 112 9.315 -2.002 4.415 1.00 34.22 H new ATOM 0 HG23 VAL A 112 9.045 -3.570 3.619 1.00 34.22 H new ATOM 1054 N ALA A 113 5.579 -2.281 1.150 1.00 14.53 N ATOM 1055 CA ALA A 113 4.676 -1.915 0.065 1.00 4.53 C ATOM 1056 C ALA A 113 3.275 -1.594 0.573 1.00 62.10 C ATOM 1057 O ALA A 113 2.637 -0.655 0.100 1.00 32.32 O ATOM 1058 CB ALA A 113 4.630 -3.032 -0.961 1.00 34.22 C ATOM 0 H ALA A 113 6.001 -3.204 1.048 1.00 14.53 H new ATOM 0 HA ALA A 113 5.061 -1.009 -0.403 1.00 4.53 H new ATOM 0 HB1 ALA A 113 3.954 -2.755 -1.770 1.00 34.22 H new ATOM 0 HB2 ALA A 113 5.629 -3.198 -1.363 1.00 34.22 H new ATOM 0 HB3 ALA A 113 4.273 -3.947 -0.487 1.00 34.22 H new ATOM 1064 N ARG A 114 2.804 -2.370 1.540 1.00 24.34 N ATOM 1065 CA ARG A 114 1.480 -2.161 2.108 1.00 11.32 C ATOM 1066 C ARG A 114 1.415 -0.822 2.844 1.00 52.43 C ATOM 1067 O ARG A 114 0.451 -0.071 2.704 1.00 31.13 O ATOM 1068 CB ARG A 114 1.130 -3.310 3.053 1.00 30.23 C ATOM 1069 CG ARG A 114 -0.291 -3.258 3.573 1.00 0.41 C ATOM 1070 CD ARG A 114 -0.583 -4.421 4.494 1.00 23.53 C ATOM 1071 NE ARG A 114 -0.787 -5.665 3.752 1.00 44.12 N ATOM 1072 CZ ARG A 114 -0.784 -6.875 4.309 1.00 64.00 C ATOM 1073 NH1 ARG A 114 -0.584 -7.013 5.614 1.00 4.12 N ATOM 1074 NH2 ARG A 114 -0.992 -7.952 3.563 1.00 3.43 N ATOM 0 H ARG A 114 3.320 -3.150 1.947 1.00 24.34 H new ATOM 0 HA ARG A 114 0.751 -2.138 1.298 1.00 11.32 H new ATOM 0 HB2 ARG A 114 1.283 -4.256 2.533 1.00 30.23 H new ATOM 0 HB3 ARG A 114 1.818 -3.296 3.898 1.00 30.23 H new ATOM 0 HG2 ARG A 114 -0.451 -2.321 4.106 1.00 0.41 H new ATOM 0 HG3 ARG A 114 -0.988 -3.271 2.735 1.00 0.41 H new ATOM 0 HD2 ARG A 114 0.243 -4.547 5.194 1.00 23.53 H new ATOM 0 HD3 ARG A 114 -1.471 -4.201 5.086 1.00 23.53 H new ATOM 0 HE ARG A 114 -0.941 -5.602 2.746 1.00 44.12 H new ATOM 0 HH11 ARG A 114 -0.431 -6.190 6.196 1.00 4.12 H new ATOM 0 HH12 ARG A 114 -0.583 -7.942 6.034 1.00 4.12 H new ATOM 0 HH21 ARG A 114 -1.155 -7.855 2.561 1.00 3.43 H new ATOM 0 HH22 ARG A 114 -0.989 -8.878 3.992 1.00 3.43 H new ATOM 1088 N ILE A 115 2.449 -0.539 3.627 1.00 0.12 N ATOM 1089 CA ILE A 115 2.587 0.748 4.303 1.00 75.12 C ATOM 1090 C ILE A 115 2.644 1.892 3.287 1.00 72.41 C ATOM 1091 O ILE A 115 1.918 2.876 3.406 1.00 73.45 O ATOM 1092 CB ILE A 115 3.845 0.762 5.197 1.00 62.33 C ATOM 1093 CG1 ILE A 115 3.615 -0.148 6.404 1.00 64.23 C ATOM 1094 CG2 ILE A 115 4.188 2.179 5.641 1.00 73.42 C ATOM 1095 CD1 ILE A 115 4.838 -0.343 7.268 1.00 61.21 C ATOM 0 H ILE A 115 3.212 -1.190 3.811 1.00 0.12 H new ATOM 0 HA ILE A 115 1.711 0.893 4.935 1.00 75.12 H new ATOM 0 HB ILE A 115 4.693 0.389 4.623 1.00 62.33 H new ATOM 0 HG12 ILE A 115 2.815 0.270 7.014 1.00 64.23 H new ATOM 0 HG13 ILE A 115 3.272 -1.121 6.052 1.00 64.23 H new ATOM 0 HG21 ILE A 115 5.078 2.158 6.269 1.00 73.42 H new ATOM 0 HG22 ILE A 115 4.377 2.799 4.765 1.00 73.42 H new ATOM 0 HG23 ILE A 115 3.354 2.595 6.207 1.00 73.42 H new ATOM 0 HD11 ILE A 115 4.593 -1.000 8.102 1.00 61.21 H new ATOM 0 HD12 ILE A 115 5.635 -0.791 6.675 1.00 61.21 H new ATOM 0 HD13 ILE A 115 5.170 0.622 7.652 1.00 61.21 H new ATOM 1107 N GLU A 116 3.490 1.744 2.278 1.00 43.23 N ATOM 1108 CA GLU A 116 3.626 2.748 1.235 1.00 63.21 C ATOM 1109 C GLU A 116 2.296 3.017 0.540 1.00 74.15 C ATOM 1110 O GLU A 116 1.965 4.167 0.248 1.00 72.15 O ATOM 1111 CB GLU A 116 4.671 2.285 0.234 1.00 24.53 C ATOM 1112 CG GLU A 116 6.025 2.069 0.878 1.00 41.32 C ATOM 1113 CD GLU A 116 6.680 3.367 1.297 1.00 41.02 C ATOM 1114 OE1 GLU A 116 7.146 4.111 0.411 1.00 0.10 O ATOM 1115 OE2 GLU A 116 6.722 3.656 2.508 1.00 72.33 O ATOM 0 H GLU A 116 4.096 0.932 2.160 1.00 43.23 H new ATOM 0 HA GLU A 116 3.945 3.686 1.690 1.00 63.21 H new ATOM 0 HB2 GLU A 116 4.340 1.357 -0.231 1.00 24.53 H new ATOM 0 HB3 GLU A 116 4.763 3.025 -0.561 1.00 24.53 H new ATOM 0 HG2 GLU A 116 5.911 1.425 1.750 1.00 41.32 H new ATOM 0 HG3 GLU A 116 6.677 1.546 0.179 1.00 41.32 H new ATOM 1122 N ALA A 117 1.532 1.958 0.293 1.00 31.52 N ATOM 1123 CA ALA A 117 0.225 2.082 -0.342 1.00 4.42 C ATOM 1124 C ALA A 117 -0.706 2.923 0.516 1.00 1.21 C ATOM 1125 O ALA A 117 -1.356 3.850 0.030 1.00 13.22 O ATOM 1126 CB ALA A 117 -0.377 0.705 -0.593 1.00 44.41 C ATOM 0 H ALA A 117 1.797 1.001 0.524 1.00 31.52 H new ATOM 0 HA ALA A 117 0.353 2.582 -1.302 1.00 4.42 H new ATOM 0 HB1 ALA A 117 -1.352 0.815 -1.067 1.00 44.41 H new ATOM 0 HB2 ALA A 117 0.282 0.133 -1.247 1.00 44.41 H new ATOM 0 HB3 ALA A 117 -0.492 0.180 0.355 1.00 44.41 H new ATOM 1132 N ALA A 118 -0.741 2.609 1.802 1.00 55.03 N ATOM 1133 CA ALA A 118 -1.583 3.332 2.738 1.00 30.24 C ATOM 1134 C ALA A 118 -1.087 4.762 2.924 1.00 14.54 C ATOM 1135 O ALA A 118 -1.877 5.681 3.137 1.00 34.02 O ATOM 1136 CB ALA A 118 -1.626 2.606 4.067 1.00 64.24 C ATOM 0 H ALA A 118 -0.194 1.856 2.220 1.00 55.03 H new ATOM 0 HA ALA A 118 -2.593 3.377 2.330 1.00 30.24 H new ATOM 0 HB1 ALA A 118 -2.260 3.156 4.762 1.00 64.24 H new ATOM 0 HB2 ALA A 118 -2.031 1.605 3.922 1.00 64.24 H new ATOM 0 HB3 ALA A 118 -0.618 2.534 4.475 1.00 64.24 H new ATOM 1142 N ALA A 119 0.224 4.944 2.827 1.00 52.20 N ATOM 1143 CA ALA A 119 0.820 6.266 2.939 1.00 23.25 C ATOM 1144 C ALA A 119 0.357 7.154 1.795 1.00 75.11 C ATOM 1145 O ALA A 119 0.120 8.347 1.974 1.00 43.05 O ATOM 1146 CB ALA A 119 2.336 6.172 2.956 1.00 5.43 C ATOM 0 H ALA A 119 0.894 4.191 2.671 1.00 52.20 H new ATOM 0 HA ALA A 119 0.494 6.710 3.879 1.00 23.25 H new ATOM 0 HB1 ALA A 119 2.762 7.172 3.040 1.00 5.43 H new ATOM 0 HB2 ALA A 119 2.654 5.569 3.807 1.00 5.43 H new ATOM 0 HB3 ALA A 119 2.682 5.707 2.033 1.00 5.43 H new ATOM 1152 N THR A 120 0.235 6.566 0.610 1.00 41.34 N ATOM 1153 CA THR A 120 -0.271 7.281 -0.548 1.00 43.20 C ATOM 1154 C THR A 120 -1.713 7.729 -0.299 1.00 15.03 C ATOM 1155 O THR A 120 -2.103 8.852 -0.632 1.00 25.45 O ATOM 1156 CB THR A 120 -0.209 6.399 -1.813 1.00 23.21 C ATOM 1157 OG1 THR A 120 1.112 5.862 -1.967 1.00 1.44 O ATOM 1158 CG2 THR A 120 -0.577 7.197 -3.055 1.00 42.14 C ATOM 0 H THR A 120 0.481 5.593 0.429 1.00 41.34 H new ATOM 0 HA THR A 120 0.358 8.157 -0.708 1.00 43.20 H new ATOM 0 HB THR A 120 -0.927 5.588 -1.696 1.00 23.21 H new ATOM 0 HG1 THR A 120 1.278 5.197 -1.267 1.00 1.44 H new ATOM 0 HG21 THR A 120 -0.525 6.551 -3.931 1.00 42.14 H new ATOM 0 HG22 THR A 120 -1.590 7.586 -2.951 1.00 42.14 H new ATOM 0 HG23 THR A 120 0.120 8.027 -3.174 1.00 42.14 H new ATOM 1166 N ALA A 121 -2.488 6.846 0.318 1.00 15.14 N ATOM 1167 CA ALA A 121 -3.874 7.137 0.650 1.00 3.03 C ATOM 1168 C ALA A 121 -3.970 8.265 1.670 1.00 22.54 C ATOM 1169 O ALA A 121 -4.679 9.245 1.453 1.00 60.12 O ATOM 1170 CB ALA A 121 -4.559 5.888 1.180 1.00 74.25 C ATOM 0 H ALA A 121 -2.176 5.917 0.600 1.00 15.14 H new ATOM 0 HA ALA A 121 -4.380 7.461 -0.260 1.00 3.03 H new ATOM 0 HB1 ALA A 121 -5.596 6.118 1.425 1.00 74.25 H new ATOM 0 HB2 ALA A 121 -4.530 5.107 0.420 1.00 74.25 H new ATOM 0 HB3 ALA A 121 -4.043 5.542 2.075 1.00 74.25 H new ATOM 1176 N LEU A 122 -3.241 8.125 2.776 1.00 21.42 N ATOM 1177 CA LEU A 122 -3.275 9.109 3.854 1.00 43.15 C ATOM 1178 C LEU A 122 -2.921 10.500 3.351 1.00 42.31 C ATOM 1179 O LEU A 122 -3.625 11.468 3.638 1.00 41.11 O ATOM 1180 CB LEU A 122 -2.312 8.721 4.979 1.00 5.23 C ATOM 1181 CG LEU A 122 -2.601 7.389 5.673 1.00 51.22 C ATOM 1182 CD1 LEU A 122 -1.654 7.198 6.843 1.00 73.04 C ATOM 1183 CD2 LEU A 122 -4.047 7.317 6.141 1.00 30.40 C ATOM 0 H LEU A 122 -2.618 7.336 2.948 1.00 21.42 H new ATOM 0 HA LEU A 122 -4.295 9.124 4.239 1.00 43.15 H new ATOM 0 HB2 LEU A 122 -1.302 8.685 4.571 1.00 5.23 H new ATOM 0 HB3 LEU A 122 -2.324 9.511 5.730 1.00 5.23 H new ATOM 0 HG LEU A 122 -2.443 6.586 4.953 1.00 51.22 H new ATOM 0 HD11 LEU A 122 -1.867 6.247 7.332 1.00 73.04 H new ATOM 0 HD12 LEU A 122 -0.625 7.199 6.482 1.00 73.04 H new ATOM 0 HD13 LEU A 122 -1.789 8.011 7.557 1.00 73.04 H new ATOM 0 HD21 LEU A 122 -4.224 6.359 6.631 1.00 30.40 H new ATOM 0 HD22 LEU A 122 -4.242 8.126 6.845 1.00 30.40 H new ATOM 0 HD23 LEU A 122 -4.712 7.414 5.283 1.00 30.40 H new ATOM 1195 N ARG A 123 -1.838 10.593 2.587 1.00 74.32 N ATOM 1196 CA ARG A 123 -1.362 11.882 2.098 1.00 20.52 C ATOM 1197 C ARG A 123 -2.322 12.460 1.056 1.00 70.32 C ATOM 1198 O ARG A 123 -2.270 13.647 0.742 1.00 12.12 O ATOM 1199 CB ARG A 123 0.053 11.746 1.518 1.00 2.41 C ATOM 1200 CG ARG A 123 0.098 11.202 0.097 1.00 54.41 C ATOM 1201 CD ARG A 123 1.522 10.907 -0.351 1.00 74.05 C ATOM 1202 NE ARG A 123 1.983 9.598 0.120 1.00 13.12 N ATOM 1203 CZ ARG A 123 3.221 9.123 -0.059 1.00 13.44 C ATOM 1204 NH1 ARG A 123 4.185 9.914 -0.521 1.00 43.33 N ATOM 1205 NH2 ARG A 123 3.504 7.866 0.270 1.00 50.11 N ATOM 0 H ARG A 123 -1.275 9.795 2.294 1.00 74.32 H new ATOM 0 HA ARG A 123 -1.325 12.574 2.940 1.00 20.52 H new ATOM 0 HB2 ARG A 123 0.536 12.723 1.536 1.00 2.41 H new ATOM 0 HB3 ARG A 123 0.636 11.090 2.164 1.00 2.41 H new ATOM 0 HG2 ARG A 123 -0.498 10.291 0.038 1.00 54.41 H new ATOM 0 HG3 ARG A 123 -0.355 11.924 -0.583 1.00 54.41 H new ATOM 0 HD2 ARG A 123 1.574 10.940 -1.439 1.00 74.05 H new ATOM 0 HD3 ARG A 123 2.189 11.683 0.024 1.00 74.05 H new ATOM 0 HE ARG A 123 1.315 9.009 0.618 1.00 13.12 H new ATOM 0 HH11 ARG A 123 3.983 10.889 -0.741 1.00 43.33 H new ATOM 0 HH12 ARG A 123 5.127 9.546 -0.655 1.00 43.33 H new ATOM 0 HH21 ARG A 123 2.778 7.265 0.659 1.00 50.11 H new ATOM 0 HH22 ARG A 123 4.448 7.503 0.134 1.00 50.11 H new ATOM 1219 N SER A 124 -3.199 11.613 0.527 1.00 22.22 N ATOM 1220 CA SER A 124 -4.211 12.055 -0.417 1.00 60.33 C ATOM 1221 C SER A 124 -5.396 12.653 0.335 1.00 62.20 C ATOM 1222 O SER A 124 -6.095 13.529 -0.179 1.00 13.13 O ATOM 1223 CB SER A 124 -4.670 10.879 -1.287 1.00 31.13 C ATOM 1224 OG SER A 124 -5.520 11.306 -2.341 1.00 22.21 O ATOM 0 H SER A 124 -3.227 10.616 0.738 1.00 22.22 H new ATOM 0 HA SER A 124 -3.783 12.820 -1.065 1.00 60.33 H new ATOM 0 HB2 SER A 124 -3.799 10.373 -1.704 1.00 31.13 H new ATOM 0 HB3 SER A 124 -5.195 10.152 -0.668 1.00 31.13 H new ATOM 0 HG SER A 124 -6.039 10.544 -2.672 1.00 22.21 H new ATOM 1230 N PHE A 125 -5.607 12.182 1.559 1.00 53.24 N ATOM 1231 CA PHE A 125 -6.694 12.673 2.385 1.00 60.51 C ATOM 1232 C PHE A 125 -6.301 13.987 3.044 1.00 31.21 C ATOM 1233 O PHE A 125 -6.981 15.000 2.883 1.00 22.40 O ATOM 1234 CB PHE A 125 -7.076 11.655 3.464 1.00 15.54 C ATOM 1235 CG PHE A 125 -7.532 10.317 2.943 1.00 3.23 C ATOM 1236 CD1 PHE A 125 -8.442 10.225 1.900 1.00 42.10 C ATOM 1237 CD2 PHE A 125 -7.063 9.151 3.521 1.00 12.44 C ATOM 1238 CE1 PHE A 125 -8.872 8.989 1.446 1.00 30.53 C ATOM 1239 CE2 PHE A 125 -7.486 7.917 3.069 1.00 3.43 C ATOM 1240 CZ PHE A 125 -8.390 7.836 2.031 1.00 0.43 C ATOM 0 H PHE A 125 -5.036 11.460 1.998 1.00 53.24 H new ATOM 0 HA PHE A 125 -7.557 12.832 1.738 1.00 60.51 H new ATOM 0 HB2 PHE A 125 -6.217 11.500 4.117 1.00 15.54 H new ATOM 0 HB3 PHE A 125 -7.871 12.079 4.078 1.00 15.54 H new ATOM 0 HD1 PHE A 125 -8.819 11.125 1.438 1.00 42.10 H new ATOM 0 HD2 PHE A 125 -6.357 9.207 4.336 1.00 12.44 H new ATOM 0 HE1 PHE A 125 -9.583 8.928 0.636 1.00 30.53 H new ATOM 0 HE2 PHE A 125 -7.109 7.015 3.528 1.00 3.43 H new ATOM 0 HZ PHE A 125 -8.721 6.871 1.676 1.00 0.43 H new ATOM 1250 N ILE A 126 -5.190 13.969 3.778 1.00 23.30 N ATOM 1251 CA ILE A 126 -4.746 15.146 4.513 1.00 61.44 C ATOM 1252 C ILE A 126 -3.266 15.420 4.271 1.00 14.12 C ATOM 1253 O ILE A 126 -2.479 14.499 4.043 1.00 0.21 O ATOM 1254 CB ILE A 126 -4.977 15.023 6.046 1.00 52.15 C ATOM 1255 CG1 ILE A 126 -4.122 13.896 6.665 1.00 41.20 C ATOM 1256 CG2 ILE A 126 -6.455 14.809 6.352 1.00 33.32 C ATOM 1257 CD1 ILE A 126 -4.654 12.490 6.447 1.00 4.44 C ATOM 0 H ILE A 126 -4.584 13.154 3.878 1.00 23.30 H new ATOM 0 HA ILE A 126 -5.350 15.971 4.137 1.00 61.44 H new ATOM 0 HB ILE A 126 -4.660 15.961 6.502 1.00 52.15 H new ATOM 0 HG12 ILE A 126 -3.116 13.955 6.251 1.00 41.20 H new ATOM 0 HG13 ILE A 126 -4.036 14.073 7.737 1.00 41.20 H new ATOM 0 HG21 ILE A 126 -6.595 14.725 7.430 1.00 33.32 H new ATOM 0 HG22 ILE A 126 -7.031 15.655 5.976 1.00 33.32 H new ATOM 0 HG23 ILE A 126 -6.798 13.894 5.870 1.00 33.32 H new ATOM 0 HD11 ILE A 126 -3.985 11.771 6.919 1.00 4.44 H new ATOM 0 HD12 ILE A 126 -5.647 12.404 6.888 1.00 4.44 H new ATOM 0 HD13 ILE A 126 -4.712 12.285 5.378 1.00 4.44 H new ATOM 1269 N GLN A 127 -2.899 16.692 4.317 1.00 53.53 N ATOM 1270 CA GLN A 127 -1.509 17.110 4.228 1.00 32.35 C ATOM 1271 C GLN A 127 -1.253 18.291 5.153 1.00 22.24 C ATOM 1272 O GLN A 127 -2.133 19.122 5.377 1.00 14.02 O ATOM 1273 CB GLN A 127 -1.127 17.482 2.795 1.00 54.14 C ATOM 1274 CG GLN A 127 -0.754 16.288 1.931 1.00 43.42 C ATOM 1275 CD GLN A 127 0.458 15.547 2.467 1.00 63.54 C ATOM 1276 OE1 GLN A 127 1.596 15.851 2.112 1.00 51.44 O ATOM 1277 NE2 GLN A 127 0.223 14.572 3.330 1.00 52.42 N ATOM 0 H GLN A 127 -3.558 17.464 4.417 1.00 53.53 H new ATOM 0 HA GLN A 127 -0.890 16.268 4.537 1.00 32.35 H new ATOM 0 HB2 GLN A 127 -1.961 18.008 2.331 1.00 54.14 H new ATOM 0 HB3 GLN A 127 -0.287 18.176 2.821 1.00 54.14 H new ATOM 0 HG2 GLN A 127 -1.601 15.604 1.875 1.00 43.42 H new ATOM 0 HG3 GLN A 127 -0.551 16.627 0.915 1.00 43.42 H new ATOM 0 HE21 GLN A 127 -0.735 14.350 3.600 1.00 52.42 H new ATOM 0 HE22 GLN A 127 1.000 14.043 3.726 1.00 52.42 H new ATOM 1286 N PHE A 128 -0.042 18.362 5.676 1.00 41.14 N ATOM 1287 CA PHE A 128 0.330 19.404 6.622 1.00 53.43 C ATOM 1288 C PHE A 128 1.172 20.473 5.937 1.00 34.42 C ATOM 1289 O PHE A 128 1.974 21.153 6.577 1.00 13.23 O ATOM 1290 CB PHE A 128 1.104 18.788 7.789 1.00 13.41 C ATOM 1291 CG PHE A 128 0.299 17.808 8.600 1.00 2.32 C ATOM 1292 CD1 PHE A 128 0.139 16.496 8.175 1.00 22.11 C ATOM 1293 CD2 PHE A 128 -0.296 18.199 9.788 1.00 45.32 C ATOM 1294 CE1 PHE A 128 -0.602 15.596 8.920 1.00 22.31 C ATOM 1295 CE2 PHE A 128 -1.037 17.304 10.537 1.00 72.42 C ATOM 1296 CZ PHE A 128 -1.190 16.000 10.103 1.00 61.31 C ATOM 0 H PHE A 128 0.708 17.705 5.460 1.00 41.14 H new ATOM 0 HA PHE A 128 -0.577 19.875 7.002 1.00 53.43 H new ATOM 0 HB2 PHE A 128 1.989 18.284 7.401 1.00 13.41 H new ATOM 0 HB3 PHE A 128 1.454 19.587 8.443 1.00 13.41 H new ATOM 0 HD1 PHE A 128 0.598 16.174 7.252 1.00 22.11 H new ATOM 0 HD2 PHE A 128 -0.180 19.216 10.133 1.00 45.32 H new ATOM 0 HE1 PHE A 128 -0.721 14.579 8.577 1.00 22.31 H new ATOM 0 HE2 PHE A 128 -1.496 17.623 11.461 1.00 72.42 H new ATOM 0 HZ PHE A 128 -1.768 15.299 10.687 1.00 61.31 H new ATOM 1306 N LYS A 129 0.975 20.621 4.635 1.00 64.10 N ATOM 1307 CA LYS A 129 1.717 21.592 3.848 1.00 22.12 C ATOM 1308 C LYS A 129 1.029 21.779 2.500 1.00 32.03 C ATOM 1309 O LYS A 129 0.147 20.995 2.144 1.00 1.11 O ATOM 1310 CB LYS A 129 3.164 21.115 3.652 1.00 74.25 C ATOM 1311 CG LYS A 129 4.109 22.192 3.140 1.00 32.44 C ATOM 1312 CD LYS A 129 5.520 21.659 2.975 1.00 64.31 C ATOM 1313 CE LYS A 129 6.486 22.756 2.558 1.00 43.30 C ATOM 1314 NZ LYS A 129 7.867 22.236 2.411 1.00 65.41 N ATOM 0 H LYS A 129 0.301 20.075 4.098 1.00 64.10 H new ATOM 0 HA LYS A 129 1.739 22.547 4.373 1.00 22.12 H new ATOM 0 HB2 LYS A 129 3.542 20.736 4.602 1.00 74.25 H new ATOM 0 HB3 LYS A 129 3.168 20.280 2.951 1.00 74.25 H new ATOM 0 HG2 LYS A 129 3.748 22.571 2.184 1.00 32.44 H new ATOM 0 HG3 LYS A 129 4.115 23.033 3.834 1.00 32.44 H new ATOM 0 HD2 LYS A 129 5.854 21.216 3.913 1.00 64.31 H new ATOM 0 HD3 LYS A 129 5.525 20.865 2.228 1.00 64.31 H new ATOM 0 HE2 LYS A 129 6.158 23.192 1.615 1.00 43.30 H new ATOM 0 HE3 LYS A 129 6.474 23.555 3.300 1.00 43.30 H new ATOM 0 HZ1 LYS A 129 8.501 23.010 2.126 1.00 65.41 H new ATOM 0 HZ2 LYS A 129 8.188 21.842 3.318 1.00 65.41 H new ATOM 0 HZ3 LYS A 129 7.882 21.491 1.686 1.00 65.41 H new ATOM 1328 N ASP A 130 1.421 22.818 1.768 1.00 73.15 N ATOM 1329 CA ASP A 130 0.877 23.081 0.439 1.00 62.32 C ATOM 1330 C ASP A 130 1.183 21.933 -0.518 1.00 21.33 C ATOM 1331 O ASP A 130 0.328 21.524 -1.308 1.00 73.21 O ATOM 1332 CB ASP A 130 1.433 24.396 -0.124 1.00 43.42 C ATOM 1333 CG ASP A 130 2.947 24.482 -0.044 1.00 12.32 C ATOM 1334 OD1 ASP A 130 3.634 23.884 -0.893 1.00 44.34 O ATOM 1335 OD2 ASP A 130 3.456 25.146 0.881 1.00 33.41 O ATOM 0 H ASP A 130 2.118 23.496 2.076 1.00 73.15 H new ATOM 0 HA ASP A 130 -0.205 23.169 0.536 1.00 62.32 H new ATOM 0 HB2 ASP A 130 1.123 24.500 -1.164 1.00 43.42 H new ATOM 0 HB3 ASP A 130 0.998 25.232 0.423 1.00 43.42 H new ATOM 1340 N GLY A 131 2.404 21.413 -0.439 1.00 32.44 N ATOM 1341 CA GLY A 131 2.815 20.344 -1.325 1.00 44.52 C ATOM 1342 C GLY A 131 2.925 20.820 -2.756 1.00 3.42 C ATOM 1343 O GLY A 131 2.685 20.056 -3.692 1.00 62.31 O ATOM 0 H GLY A 131 3.116 21.715 0.225 1.00 32.44 H new ATOM 0 HA2 GLY A 131 3.776 19.948 -0.997 1.00 44.52 H new ATOM 0 HA3 GLY A 131 2.097 19.526 -1.267 1.00 44.52 H new ATOM 1347 N ALA A 132 3.265 22.093 -2.918 1.00 5.31 N ATOM 1348 CA ALA A 132 3.404 22.691 -4.235 1.00 4.41 C ATOM 1349 C ALA A 132 4.593 22.089 -4.970 1.00 71.31 C ATOM 1350 O ALA A 132 5.626 21.802 -4.360 1.00 62.02 O ATOM 1351 CB ALA A 132 3.549 24.198 -4.114 1.00 2.34 C ATOM 0 H ALA A 132 3.450 22.733 -2.146 1.00 5.31 H new ATOM 0 HA ALA A 132 2.505 22.478 -4.814 1.00 4.41 H new ATOM 0 HB1 ALA A 132 3.652 24.635 -5.107 1.00 2.34 H new ATOM 0 HB2 ALA A 132 2.666 24.611 -3.627 1.00 2.34 H new ATOM 0 HB3 ALA A 132 4.433 24.432 -3.521 1.00 2.34 H new ATOM 1357 N VAL A 133 4.435 21.903 -6.277 1.00 34.11 N ATOM 1358 CA VAL A 133 5.424 21.210 -7.095 1.00 23.01 C ATOM 1359 C VAL A 133 5.570 19.772 -6.604 1.00 1.32 C ATOM 1360 O VAL A 133 6.576 19.391 -5.999 1.00 62.43 O ATOM 1361 CB VAL A 133 6.803 21.918 -7.101 1.00 65.14 C ATOM 1362 CG1 VAL A 133 7.765 21.235 -8.069 1.00 52.51 C ATOM 1363 CG2 VAL A 133 6.648 23.390 -7.457 1.00 60.21 C ATOM 0 H VAL A 133 3.620 22.228 -6.797 1.00 34.11 H new ATOM 0 HA VAL A 133 5.064 21.222 -8.124 1.00 23.01 H new ATOM 0 HB VAL A 133 7.222 21.845 -6.097 1.00 65.14 H new ATOM 0 HG11 VAL A 133 8.725 21.752 -8.054 1.00 52.51 H new ATOM 0 HG12 VAL A 133 7.907 20.197 -7.769 1.00 52.51 H new ATOM 0 HG13 VAL A 133 7.351 21.268 -9.077 1.00 52.51 H new ATOM 0 HG21 VAL A 133 7.627 23.870 -7.456 1.00 60.21 H new ATOM 0 HG22 VAL A 133 6.201 23.480 -8.447 1.00 60.21 H new ATOM 0 HG23 VAL A 133 6.005 23.876 -6.723 1.00 60.21 H new ATOM 1373 N LEU A 134 4.523 18.994 -6.823 1.00 50.35 N ATOM 1374 CA LEU A 134 4.490 17.610 -6.386 1.00 11.23 C ATOM 1375 C LEU A 134 4.827 16.677 -7.537 1.00 43.10 C ATOM 1376 O LEU A 134 4.109 16.614 -8.536 1.00 12.41 O ATOM 1377 CB LEU A 134 3.114 17.266 -5.812 1.00 73.23 C ATOM 1378 CG LEU A 134 2.962 15.835 -5.289 1.00 5.44 C ATOM 1379 CD1 LEU A 134 3.899 15.581 -4.118 1.00 5.43 C ATOM 1380 CD2 LEU A 134 1.522 15.574 -4.878 1.00 34.24 C ATOM 0 H LEU A 134 3.678 19.302 -7.305 1.00 50.35 H new ATOM 0 HA LEU A 134 5.239 17.479 -5.605 1.00 11.23 H new ATOM 0 HB2 LEU A 134 2.895 17.958 -4.999 1.00 73.23 H new ATOM 0 HB3 LEU A 134 2.364 17.434 -6.585 1.00 73.23 H new ATOM 0 HG LEU A 134 3.229 15.149 -6.093 1.00 5.44 H new ATOM 0 HD11 LEU A 134 3.771 14.558 -3.765 1.00 5.43 H new ATOM 0 HD12 LEU A 134 4.930 15.728 -4.439 1.00 5.43 H new ATOM 0 HD13 LEU A 134 3.668 16.275 -3.310 1.00 5.43 H new ATOM 0 HD21 LEU A 134 1.429 14.553 -4.508 1.00 34.24 H new ATOM 0 HD22 LEU A 134 1.236 16.272 -4.092 1.00 34.24 H new ATOM 0 HD23 LEU A 134 0.868 15.709 -5.739 1.00 34.24 H new ATOM 1392 N SER A 135 5.932 15.968 -7.399 1.00 3.14 N ATOM 1393 CA SER A 135 6.334 14.988 -8.389 1.00 73.50 C ATOM 1394 C SER A 135 5.482 13.732 -8.220 1.00 10.42 C ATOM 1395 O SER A 135 5.162 13.356 -7.091 1.00 32.21 O ATOM 1396 CB SER A 135 7.822 14.657 -8.222 1.00 45.25 C ATOM 1397 OG SER A 135 8.335 13.976 -9.357 1.00 5.23 O ATOM 0 H SER A 135 6.569 16.054 -6.607 1.00 3.14 H new ATOM 0 HA SER A 135 6.184 15.390 -9.391 1.00 73.50 H new ATOM 0 HB2 SER A 135 8.385 15.577 -8.064 1.00 45.25 H new ATOM 0 HB3 SER A 135 7.961 14.041 -7.333 1.00 45.25 H new ATOM 0 HG SER A 135 9.286 13.781 -9.220 1.00 5.23 H new ATOM 1403 N PRO A 136 5.073 13.088 -9.326 1.00 74.23 N ATOM 1404 CA PRO A 136 4.285 11.853 -9.267 1.00 3.35 C ATOM 1405 C PRO A 136 5.036 10.731 -8.552 1.00 52.45 C ATOM 1406 O PRO A 136 5.849 10.027 -9.154 1.00 74.13 O ATOM 1407 CB PRO A 136 4.049 11.490 -10.736 1.00 71.33 C ATOM 1408 CG PRO A 136 4.293 12.752 -11.492 1.00 50.44 C ATOM 1409 CD PRO A 136 5.329 13.508 -10.712 1.00 12.45 C ATOM 0 HA PRO A 136 3.361 11.989 -8.706 1.00 3.35 H new ATOM 0 HB2 PRO A 136 4.725 10.699 -11.060 1.00 71.33 H new ATOM 0 HB3 PRO A 136 3.034 11.126 -10.894 1.00 71.33 H new ATOM 0 HG2 PRO A 136 4.643 12.540 -12.502 1.00 50.44 H new ATOM 0 HG3 PRO A 136 3.376 13.333 -11.588 1.00 50.44 H new ATOM 0 HD2 PRO A 136 6.340 13.253 -11.031 1.00 12.45 H new ATOM 0 HD3 PRO A 136 5.219 14.586 -10.834 1.00 12.45 H new ATOM 1417 N LEU A 137 4.781 10.600 -7.261 1.00 44.24 N ATOM 1418 CA LEU A 137 5.445 9.597 -6.443 1.00 41.53 C ATOM 1419 C LEU A 137 4.612 8.329 -6.397 1.00 44.32 C ATOM 1420 O LEU A 137 3.486 8.344 -5.901 1.00 54.31 O ATOM 1421 CB LEU A 137 5.672 10.130 -5.023 1.00 34.24 C ATOM 1422 CG LEU A 137 6.429 11.458 -4.935 1.00 64.21 C ATOM 1423 CD1 LEU A 137 6.611 11.872 -3.483 1.00 22.51 C ATOM 1424 CD2 LEU A 137 7.774 11.361 -5.639 1.00 60.32 C ATOM 0 H LEU A 137 4.114 11.180 -6.753 1.00 44.24 H new ATOM 0 HA LEU A 137 6.414 9.369 -6.888 1.00 41.53 H new ATOM 0 HB2 LEU A 137 4.703 10.251 -4.539 1.00 34.24 H new ATOM 0 HB3 LEU A 137 6.221 9.379 -4.455 1.00 34.24 H new ATOM 0 HG LEU A 137 5.838 12.223 -5.439 1.00 64.21 H new ATOM 0 HD11 LEU A 137 7.151 12.818 -3.439 1.00 22.51 H new ATOM 0 HD12 LEU A 137 5.635 11.989 -3.013 1.00 22.51 H new ATOM 0 HD13 LEU A 137 7.178 11.106 -2.955 1.00 22.51 H new ATOM 0 HD21 LEU A 137 8.294 12.316 -5.564 1.00 60.32 H new ATOM 0 HD22 LEU A 137 8.375 10.582 -5.169 1.00 60.32 H new ATOM 0 HD23 LEU A 137 7.618 11.115 -6.689 1.00 60.32 H new ATOM 1436 N LYS A 138 5.185 7.243 -6.919 1.00 42.34 N ATOM 1437 CA LYS A 138 4.517 5.943 -7.002 1.00 61.14 C ATOM 1438 C LYS A 138 3.413 5.978 -8.059 1.00 22.32 C ATOM 1439 O LYS A 138 2.493 6.791 -7.988 1.00 44.43 O ATOM 1440 CB LYS A 138 3.963 5.477 -5.640 1.00 24.24 C ATOM 1441 CG LYS A 138 5.041 5.055 -4.641 1.00 32.24 C ATOM 1442 CD LYS A 138 5.814 6.248 -4.090 1.00 0.54 C ATOM 1443 CE LYS A 138 7.044 5.818 -3.309 1.00 31.42 C ATOM 1444 NZ LYS A 138 6.703 5.010 -2.111 1.00 32.43 N ATOM 0 H LYS A 138 6.132 7.241 -7.298 1.00 42.34 H new ATOM 0 HA LYS A 138 5.268 5.211 -7.300 1.00 61.14 H new ATOM 0 HB2 LYS A 138 3.374 6.284 -5.204 1.00 24.24 H new ATOM 0 HB3 LYS A 138 3.285 4.639 -5.803 1.00 24.24 H new ATOM 0 HG2 LYS A 138 4.578 4.512 -3.817 1.00 32.24 H new ATOM 0 HG3 LYS A 138 5.734 4.368 -5.126 1.00 32.24 H new ATOM 0 HD2 LYS A 138 6.115 6.896 -4.913 1.00 0.54 H new ATOM 0 HD3 LYS A 138 5.162 6.836 -3.444 1.00 0.54 H new ATOM 0 HE2 LYS A 138 7.699 5.239 -3.959 1.00 31.42 H new ATOM 0 HE3 LYS A 138 7.602 6.702 -3.000 1.00 31.42 H new ATOM 0 HZ1 LYS A 138 7.430 5.149 -1.380 1.00 32.43 H new ATOM 0 HZ2 LYS A 138 5.779 5.311 -1.741 1.00 32.43 H new ATOM 0 HZ3 LYS A 138 6.661 4.004 -2.371 1.00 32.43 H new ATOM 1458 N PRO A 139 3.513 5.094 -9.067 1.00 43.03 N ATOM 1459 CA PRO A 139 2.573 5.044 -10.194 1.00 53.33 C ATOM 1460 C PRO A 139 1.115 4.927 -9.759 1.00 25.30 C ATOM 1461 O PRO A 139 0.670 3.879 -9.294 1.00 12.34 O ATOM 1462 CB PRO A 139 3.001 3.797 -10.983 1.00 3.23 C ATOM 1463 CG PRO A 139 3.925 3.050 -10.084 1.00 73.33 C ATOM 1464 CD PRO A 139 4.558 4.074 -9.193 1.00 73.42 C ATOM 0 HA PRO A 139 2.613 5.965 -10.775 1.00 53.33 H new ATOM 0 HB2 PRO A 139 2.138 3.188 -11.251 1.00 3.23 H new ATOM 0 HB3 PRO A 139 3.498 4.073 -11.913 1.00 3.23 H new ATOM 0 HG2 PRO A 139 3.383 2.307 -9.499 1.00 73.33 H new ATOM 0 HG3 PRO A 139 4.680 2.514 -10.660 1.00 73.33 H new ATOM 0 HD2 PRO A 139 4.830 3.653 -8.225 1.00 73.42 H new ATOM 0 HD3 PRO A 139 5.469 4.482 -9.631 1.00 73.42 H new ATOM 1472 N ALA A 140 0.386 6.021 -9.901 1.00 1.31 N ATOM 1473 CA ALA A 140 -1.031 6.051 -9.593 1.00 41.33 C ATOM 1474 C ALA A 140 -1.790 6.666 -10.755 1.00 40.03 C ATOM 1475 O ALA A 140 -1.785 7.909 -10.876 1.00 37.05 O ATOM 1476 CB ALA A 140 -1.281 6.826 -8.307 1.00 4.32 C ATOM 1477 OXT ALA A 140 -2.339 5.905 -11.575 1.00 37.05 O ATOM 0 H ALA A 140 0.760 6.910 -10.232 1.00 1.31 H new ATOM 0 HA ALA A 140 -1.388 5.032 -9.441 1.00 41.33 H new ATOM 0 HB1 ALA A 140 -2.349 6.838 -8.091 1.00 4.32 H new ATOM 0 HB2 ALA A 140 -0.750 6.347 -7.484 1.00 4.32 H new ATOM 0 HB3 ALA A 140 -0.923 7.849 -8.423 1.00 4.32 H new TER 1483 ALA A 140