USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 653 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 58 LYS NZ :NH3+ 141:sc= 1.1 (180deg=1.14) USER MOD Set 1.2: A 63 THR OG1 : rot -90:sc= 0.516 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 1.46 (180deg=0.555) USER MOD Single : A 2 GLN : amide:sc= 1.25 K(o=1.3,f=-0.056) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -76:sc= 0.893 USER MOD Single : A 8 TYR OH : rot -152:sc= 1.24 USER MOD Single : A 9 GLN : amide:sc= 0.377 X(o=0.38,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 0.875 (180deg=0.849) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= -0.08 (180deg=-0.36) USER MOD Single : A 20 ASN : amide:sc= -1.98! C(o=-2!,f=-4.1!) USER MOD Single : A 21 ASN : amide:sc=-0.00571 X(o=-0.0057,f=-0.026) USER MOD Single : A 24 GLN : amide:sc= -0.342 K(o=-0.34,f=-0.94) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.31) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.508 K(o=-0.51,f=-1.3) USER MOD Single : A 42 SER OG : rot -7:sc= 0.313 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 167:sc= -0.596 USER MOD Single : A 53 TYR OH : rot -98:sc= 0.628 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.2) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 74 ASN : amide:sc= -0.604 K(o=-0.6,f=-5.6!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.077) USER MOD Single : A 79 ASN : amide:sc= 0.00722 K(o=0.0072,f=-7.5!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.077 -19.974 -12.426 1.00 21.00 N ATOM 2 CA MET A 1 8.137 -19.147 -13.174 1.00 1.00 C ATOM 3 C MET A 1 7.118 -20.021 -13.837 1.00 71.00 C ATOM 4 O MET A 1 7.393 -21.186 -14.121 1.00 24.00 O ATOM 5 CB MET A 1 8.844 -18.276 -14.229 1.00 22.00 C ATOM 6 CG MET A 1 9.707 -17.155 -13.666 1.00 5.00 C ATOM 7 SD MET A 1 11.190 -17.746 -12.839 1.00 5.00 S ATOM 8 CE MET A 1 11.897 -16.198 -12.274 1.00 74.00 C ATOM 0 H1 MET A 1 10.010 -19.515 -12.415 1.00 21.00 H new ATOM 0 H2 MET A 1 8.737 -20.091 -11.450 1.00 21.00 H new ATOM 0 H3 MET A 1 9.155 -20.907 -12.879 1.00 21.00 H new ATOM 0 HA MET A 1 7.651 -18.475 -12.467 1.00 1.00 H new ATOM 0 HB2 MET A 1 9.469 -18.919 -14.849 1.00 22.00 H new ATOM 0 HB3 MET A 1 8.089 -17.839 -14.883 1.00 22.00 H new ATOM 0 HG2 MET A 1 9.994 -16.485 -14.476 1.00 5.00 H new ATOM 0 HG3 MET A 1 9.116 -16.569 -12.962 1.00 5.00 H new ATOM 0 HE1 MET A 1 12.826 -16.396 -11.740 1.00 74.00 H new ATOM 0 HE2 MET A 1 12.101 -15.557 -13.131 1.00 74.00 H new ATOM 0 HE3 MET A 1 11.194 -15.699 -11.607 1.00 74.00 H new ATOM 18 N GLN A 2 5.955 -19.478 -14.084 1.00 3.00 N ATOM 19 CA GLN A 2 4.888 -20.207 -14.747 1.00 75.00 C ATOM 20 C GLN A 2 5.017 -19.956 -16.236 1.00 32.00 C ATOM 21 O GLN A 2 5.932 -19.250 -16.673 1.00 51.00 O ATOM 22 CB GLN A 2 3.528 -19.640 -14.338 1.00 31.00 C ATOM 23 CG GLN A 2 3.255 -19.530 -12.856 1.00 20.00 C ATOM 24 CD GLN A 2 1.910 -18.880 -12.615 1.00 23.00 C ATOM 25 OE1 GLN A 2 0.897 -19.546 -12.515 1.00 34.00 O ATOM 26 NE2 GLN A 2 1.891 -17.573 -12.552 1.00 22.00 N ATOM 0 H GLN A 2 5.714 -18.519 -13.834 1.00 3.00 H new ATOM 0 HA GLN A 2 4.959 -21.262 -14.484 1.00 75.00 H new ATOM 0 HB2 GLN A 2 3.428 -18.647 -14.777 1.00 31.00 H new ATOM 0 HB3 GLN A 2 2.752 -20.264 -14.781 1.00 31.00 H new ATOM 0 HG2 GLN A 2 3.274 -20.521 -12.402 1.00 20.00 H new ATOM 0 HG3 GLN A 2 4.040 -18.945 -12.377 1.00 20.00 H new ATOM 0 HE21 GLN A 2 2.760 -17.046 -12.640 1.00 22.00 H new ATOM 0 HE22 GLN A 2 1.008 -17.082 -12.415 1.00 22.00 H new ATOM 35 N THR A 3 4.129 -20.518 -17.009 1.00 41.00 N ATOM 36 CA THR A 3 4.006 -20.114 -18.369 1.00 1.00 C ATOM 37 C THR A 3 3.172 -18.869 -18.288 1.00 42.00 C ATOM 38 O THR A 3 2.075 -18.896 -17.699 1.00 73.00 O ATOM 39 CB THR A 3 3.299 -21.179 -19.194 1.00 64.00 C ATOM 40 OG1 THR A 3 3.852 -22.459 -18.852 1.00 52.00 O ATOM 41 CG2 THR A 3 3.534 -20.944 -20.670 1.00 11.00 C ATOM 0 H THR A 3 3.486 -21.253 -16.716 1.00 41.00 H new ATOM 0 HA THR A 3 4.971 -19.955 -18.851 1.00 1.00 H new ATOM 0 HB THR A 3 2.230 -21.140 -18.986 1.00 64.00 H new ATOM 0 HG1 THR A 3 3.406 -23.158 -19.374 1.00 52.00 H new ATOM 0 HG21 THR A 3 3.022 -21.714 -21.247 1.00 11.00 H new ATOM 0 HG22 THR A 3 3.147 -19.964 -20.949 1.00 11.00 H new ATOM 0 HG23 THR A 3 4.603 -20.985 -20.879 1.00 11.00 H new ATOM 49 N ASP A 4 3.709 -17.798 -18.815 1.00 73.00 N ATOM 50 CA ASP A 4 3.153 -16.457 -18.658 1.00 63.00 C ATOM 51 C ASP A 4 1.711 -16.431 -19.119 1.00 2.00 C ATOM 52 O ASP A 4 1.348 -17.153 -20.055 1.00 14.00 O ATOM 53 CB ASP A 4 4.017 -15.487 -19.448 1.00 23.00 C ATOM 54 CG ASP A 4 4.159 -14.131 -18.796 1.00 62.00 C ATOM 55 OD1 ASP A 4 4.619 -14.080 -17.625 1.00 3.00 O ATOM 56 OD2 ASP A 4 3.940 -13.088 -19.474 1.00 23.00 O ATOM 0 H ASP A 4 4.560 -17.823 -19.377 1.00 73.00 H new ATOM 0 HA ASP A 4 3.157 -16.161 -17.609 1.00 63.00 H new ATOM 0 HB2 ASP A 4 5.008 -15.922 -19.581 1.00 23.00 H new ATOM 0 HB3 ASP A 4 3.589 -15.359 -20.442 1.00 23.00 H new ATOM 61 N THR A 5 0.880 -15.662 -18.478 1.00 41.00 N ATOM 62 CA THR A 5 -0.513 -15.711 -18.805 1.00 43.00 C ATOM 63 C THR A 5 -1.129 -14.383 -18.611 1.00 42.00 C ATOM 64 O THR A 5 -0.647 -13.602 -17.850 1.00 53.00 O ATOM 65 CB THR A 5 -1.280 -16.792 -17.975 1.00 50.00 C ATOM 66 OG1 THR A 5 -2.699 -16.738 -18.252 1.00 65.00 O ATOM 67 CG2 THR A 5 -1.047 -16.638 -16.477 1.00 55.00 C ATOM 0 H THR A 5 1.136 -15.006 -17.740 1.00 41.00 H new ATOM 0 HA THR A 5 -0.590 -15.996 -19.854 1.00 43.00 H new ATOM 0 HB THR A 5 -0.886 -17.761 -18.280 1.00 50.00 H new ATOM 0 HG1 THR A 5 -3.094 -15.970 -17.789 1.00 65.00 H new ATOM 0 HG21 THR A 5 -1.599 -17.410 -15.942 1.00 55.00 H new ATOM 0 HG22 THR A 5 0.017 -16.738 -16.262 1.00 55.00 H new ATOM 0 HG23 THR A 5 -1.392 -15.656 -16.154 1.00 55.00 H new ATOM 75 N LEU A 6 -2.215 -14.134 -19.284 1.00 54.00 N ATOM 76 CA LEU A 6 -2.857 -12.867 -19.164 1.00 53.00 C ATOM 77 C LEU A 6 -3.676 -12.787 -17.878 1.00 45.00 C ATOM 78 O LEU A 6 -3.406 -13.503 -16.921 1.00 14.00 O ATOM 79 CB LEU A 6 -3.656 -12.522 -20.429 1.00 40.00 C ATOM 80 CG LEU A 6 -2.820 -12.401 -21.713 1.00 43.00 C ATOM 81 CD1 LEU A 6 -3.687 -11.956 -22.868 1.00 4.00 C ATOM 82 CD2 LEU A 6 -1.643 -11.438 -21.532 1.00 64.00 C ATOM 0 H LEU A 6 -2.669 -14.791 -19.918 1.00 54.00 H new ATOM 0 HA LEU A 6 -2.092 -12.095 -19.081 1.00 53.00 H new ATOM 0 HB2 LEU A 6 -4.417 -13.288 -20.580 1.00 40.00 H new ATOM 0 HB3 LEU A 6 -4.180 -11.580 -20.264 1.00 40.00 H new ATOM 0 HG LEU A 6 -2.412 -13.387 -21.934 1.00 43.00 H new ATOM 0 HD11 LEU A 6 -3.079 -11.875 -23.769 1.00 4.00 H new ATOM 0 HD12 LEU A 6 -4.481 -12.686 -23.030 1.00 4.00 H new ATOM 0 HD13 LEU A 6 -4.127 -10.986 -22.639 1.00 4.00 H new ATOM 0 HD21 LEU A 6 -1.075 -11.379 -22.461 1.00 64.00 H new ATOM 0 HD22 LEU A 6 -2.019 -10.448 -21.273 1.00 64.00 H new ATOM 0 HD23 LEU A 6 -0.996 -11.801 -20.734 1.00 64.00 H new ATOM 94 N GLU A 7 -4.694 -11.979 -17.891 1.00 22.00 N ATOM 95 CA GLU A 7 -5.398 -11.586 -16.718 1.00 61.00 C ATOM 96 C GLU A 7 -6.230 -12.735 -16.180 1.00 63.00 C ATOM 97 O GLU A 7 -6.529 -12.807 -14.997 1.00 62.00 O ATOM 98 CB GLU A 7 -6.266 -10.410 -17.127 1.00 13.00 C ATOM 99 CG GLU A 7 -6.893 -9.657 -15.997 1.00 73.00 C ATOM 100 CD GLU A 7 -5.881 -9.217 -14.956 1.00 3.00 C ATOM 101 OE1 GLU A 7 -4.667 -9.092 -15.290 1.00 22.00 O ATOM 102 OE2 GLU A 7 -6.269 -9.007 -13.796 1.00 21.00 O ATOM 0 H GLU A 7 -5.065 -11.566 -18.747 1.00 22.00 H new ATOM 0 HA GLU A 7 -4.718 -11.305 -15.914 1.00 61.00 H new ATOM 0 HB2 GLU A 7 -5.660 -9.718 -17.712 1.00 13.00 H new ATOM 0 HB3 GLU A 7 -7.057 -10.774 -17.783 1.00 13.00 H new ATOM 0 HG2 GLU A 7 -7.408 -8.781 -16.391 1.00 73.00 H new ATOM 0 HG3 GLU A 7 -7.648 -10.284 -15.522 1.00 73.00 H new ATOM 109 N TYR A 8 -6.538 -13.659 -17.086 1.00 60.00 N ATOM 110 CA TYR A 8 -7.367 -14.838 -16.880 1.00 1.00 C ATOM 111 C TYR A 8 -8.708 -14.609 -16.161 1.00 51.00 C ATOM 112 O TYR A 8 -9.347 -15.558 -15.735 1.00 61.00 O ATOM 113 CB TYR A 8 -6.592 -16.065 -16.316 1.00 22.00 C ATOM 114 CG TYR A 8 -5.787 -15.840 -15.044 1.00 20.00 C ATOM 115 CD1 TYR A 8 -6.401 -15.707 -13.808 1.00 21.00 C ATOM 116 CD2 TYR A 8 -4.405 -15.752 -15.095 1.00 42.00 C ATOM 117 CE1 TYR A 8 -5.656 -15.490 -12.668 1.00 22.00 C ATOM 118 CE2 TYR A 8 -3.655 -15.535 -13.962 1.00 4.00 C ATOM 119 CZ TYR A 8 -4.280 -15.405 -12.752 1.00 63.00 C ATOM 120 OH TYR A 8 -3.527 -15.180 -11.606 1.00 53.00 O ATOM 0 H TYR A 8 -6.192 -13.598 -18.044 1.00 60.00 H new ATOM 0 HA TYR A 8 -7.657 -15.091 -17.900 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -7.310 -16.863 -16.128 1.00 22.00 H new ATOM 0 HB3 TYR A 8 -5.913 -16.423 -17.090 1.00 22.00 H new ATOM 0 HD1 TYR A 8 -7.477 -15.774 -13.737 1.00 21.00 H new ATOM 0 HD2 TYR A 8 -3.905 -15.856 -16.046 1.00 42.00 H new ATOM 0 HE1 TYR A 8 -6.147 -15.387 -11.712 1.00 22.00 H new ATOM 0 HE2 TYR A 8 -2.579 -15.468 -14.028 1.00 4.00 H new ATOM 0 HH TYR A 8 -2.699 -14.714 -11.845 1.00 53.00 H new ATOM 130 N GLN A 9 -9.170 -13.390 -16.123 1.00 12.00 N ATOM 131 CA GLN A 9 -10.364 -13.060 -15.379 1.00 4.00 C ATOM 132 C GLN A 9 -11.099 -11.941 -16.070 1.00 5.00 C ATOM 133 O GLN A 9 -11.636 -11.030 -15.442 1.00 53.00 O ATOM 134 CB GLN A 9 -9.975 -12.692 -13.948 1.00 72.00 C ATOM 135 CG GLN A 9 -9.044 -11.503 -13.832 1.00 71.00 C ATOM 136 CD GLN A 9 -8.456 -11.317 -12.455 1.00 35.00 C ATOM 137 OE1 GLN A 9 -9.032 -10.658 -11.596 1.00 21.00 O ATOM 138 NE2 GLN A 9 -7.278 -11.852 -12.254 1.00 72.00 N ATOM 0 H GLN A 9 -8.737 -12.600 -16.601 1.00 12.00 H new ATOM 0 HA GLN A 9 -11.037 -13.917 -15.337 1.00 4.00 H new ATOM 0 HB2 GLN A 9 -10.882 -12.483 -13.382 1.00 72.00 H new ATOM 0 HB3 GLN A 9 -9.500 -13.555 -13.481 1.00 72.00 H new ATOM 0 HG2 GLN A 9 -8.232 -11.619 -14.550 1.00 71.00 H new ATOM 0 HG3 GLN A 9 -9.588 -10.600 -14.109 1.00 71.00 H new ATOM 0 HE21 GLN A 9 -6.831 -12.394 -12.994 1.00 72.00 H new ATOM 0 HE22 GLN A 9 -6.807 -11.727 -11.358 1.00 72.00 H new ATOM 147 N CYS A 10 -11.181 -12.075 -17.361 1.00 52.00 N ATOM 148 CA CYS A 10 -11.805 -11.085 -18.205 1.00 1.00 C ATOM 149 C CYS A 10 -13.310 -11.122 -17.971 1.00 51.00 C ATOM 150 O CYS A 10 -13.840 -12.122 -17.461 1.00 55.00 O ATOM 151 CB CYS A 10 -11.477 -11.365 -19.671 1.00 14.00 C ATOM 152 SG CYS A 10 -9.689 -11.496 -20.039 1.00 24.00 S ATOM 0 H CYS A 10 -10.815 -12.881 -17.868 1.00 52.00 H new ATOM 0 HA CYS A 10 -11.427 -10.093 -17.960 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -11.965 -12.293 -19.968 1.00 14.00 H new ATOM 0 HB3 CYS A 10 -11.904 -10.571 -20.283 1.00 14.00 H new ATOM 157 N ASP A 11 -13.999 -10.081 -18.361 1.00 33.00 N ATOM 158 CA ASP A 11 -15.425 -9.947 -18.059 1.00 41.00 C ATOM 159 C ASP A 11 -16.278 -10.875 -18.900 1.00 53.00 C ATOM 160 O ASP A 11 -17.457 -11.100 -18.594 1.00 42.00 O ATOM 161 CB ASP A 11 -15.905 -8.492 -18.208 1.00 22.00 C ATOM 162 CG ASP A 11 -15.151 -7.532 -17.320 1.00 14.00 C ATOM 163 OD1 ASP A 11 -15.470 -7.443 -16.111 1.00 41.00 O ATOM 164 OD2 ASP A 11 -14.213 -6.856 -17.810 1.00 21.00 O ATOM 0 H ASP A 11 -13.606 -9.304 -18.891 1.00 33.00 H new ATOM 0 HA ASP A 11 -15.546 -10.240 -17.016 1.00 41.00 H new ATOM 0 HB2 ASP A 11 -15.793 -8.182 -19.247 1.00 22.00 H new ATOM 0 HB3 ASP A 11 -16.968 -8.439 -17.972 1.00 22.00 H new ATOM 169 N GLU A 12 -15.719 -11.407 -19.960 1.00 73.00 N ATOM 170 CA GLU A 12 -16.465 -12.330 -20.769 1.00 71.00 C ATOM 171 C GLU A 12 -15.911 -13.746 -20.703 1.00 2.00 C ATOM 172 O GLU A 12 -16.673 -14.707 -20.625 1.00 70.00 O ATOM 173 CB GLU A 12 -16.578 -11.860 -22.224 1.00 63.00 C ATOM 174 CG GLU A 12 -17.439 -12.780 -23.076 1.00 41.00 C ATOM 175 CD GLU A 12 -17.558 -12.345 -24.509 1.00 72.00 C ATOM 176 OE1 GLU A 12 -18.361 -11.430 -24.793 1.00 13.00 O ATOM 177 OE2 GLU A 12 -16.890 -12.934 -25.377 1.00 45.00 O ATOM 0 H GLU A 12 -14.767 -11.219 -20.276 1.00 73.00 H new ATOM 0 HA GLU A 12 -17.469 -12.353 -20.345 1.00 71.00 H new ATOM 0 HB2 GLU A 12 -16.998 -10.855 -22.245 1.00 63.00 H new ATOM 0 HB3 GLU A 12 -15.581 -11.797 -22.659 1.00 63.00 H new ATOM 0 HG2 GLU A 12 -17.020 -13.786 -23.045 1.00 41.00 H new ATOM 0 HG3 GLU A 12 -18.436 -12.836 -22.639 1.00 41.00 H new ATOM 184 N LYS A 13 -14.612 -13.882 -20.663 1.00 63.00 N ATOM 185 CA LYS A 13 -13.997 -15.173 -20.813 1.00 62.00 C ATOM 186 C LYS A 13 -12.854 -15.273 -19.852 1.00 23.00 C ATOM 187 O LYS A 13 -12.139 -14.292 -19.651 1.00 24.00 O ATOM 188 CB LYS A 13 -13.416 -15.312 -22.240 1.00 74.00 C ATOM 189 CG LYS A 13 -14.411 -15.168 -23.393 1.00 44.00 C ATOM 190 CD LYS A 13 -15.386 -16.342 -23.516 1.00 72.00 C ATOM 191 CE LYS A 13 -14.651 -17.661 -23.777 1.00 22.00 C ATOM 192 NZ LYS A 13 -15.581 -18.794 -24.001 1.00 23.00 N ATOM 0 H LYS A 13 -13.958 -13.111 -20.527 1.00 63.00 H new ATOM 0 HA LYS A 13 -14.741 -15.948 -20.629 1.00 62.00 H new ATOM 0 HB2 LYS A 13 -12.635 -14.562 -22.366 1.00 74.00 H new ATOM 0 HB3 LYS A 13 -12.937 -16.288 -22.321 1.00 74.00 H new ATOM 0 HG2 LYS A 13 -14.980 -14.248 -23.258 1.00 44.00 H new ATOM 0 HG3 LYS A 13 -13.859 -15.067 -24.327 1.00 44.00 H new ATOM 0 HD2 LYS A 13 -15.972 -16.426 -22.601 1.00 72.00 H new ATOM 0 HD3 LYS A 13 -16.088 -16.149 -24.327 1.00 72.00 H new ATOM 0 HE2 LYS A 13 -14.005 -17.547 -24.648 1.00 22.00 H new ATOM 0 HE3 LYS A 13 -14.005 -17.887 -22.929 1.00 22.00 H new ATOM 0 HZ1 LYS A 13 -15.039 -19.639 -24.273 1.00 23.00 H new ATOM 0 HZ2 LYS A 13 -16.109 -18.988 -23.126 1.00 23.00 H new ATOM 0 HZ3 LYS A 13 -16.248 -18.551 -24.761 1.00 23.00 H new ATOM 206 N PRO A 14 -12.669 -16.399 -19.198 1.00 12.00 N ATOM 207 CA PRO A 14 -11.486 -16.610 -18.430 1.00 41.00 C ATOM 208 C PRO A 14 -10.354 -16.973 -19.405 1.00 71.00 C ATOM 209 O PRO A 14 -10.346 -18.056 -19.979 1.00 12.00 O ATOM 210 CB PRO A 14 -11.821 -17.791 -17.503 1.00 32.00 C ATOM 211 CG PRO A 14 -13.261 -18.119 -17.765 1.00 43.00 C ATOM 212 CD PRO A 14 -13.595 -17.532 -19.107 1.00 31.00 C ATOM 0 HA PRO A 14 -11.170 -15.742 -17.852 1.00 41.00 H new ATOM 0 HB2 PRO A 14 -11.180 -18.647 -17.713 1.00 32.00 H new ATOM 0 HB3 PRO A 14 -11.664 -17.525 -16.458 1.00 32.00 H new ATOM 0 HG2 PRO A 14 -13.420 -19.197 -17.763 1.00 43.00 H new ATOM 0 HG3 PRO A 14 -13.902 -17.701 -16.988 1.00 43.00 H new ATOM 0 HD2 PRO A 14 -13.440 -18.249 -19.913 1.00 31.00 H new ATOM 0 HD3 PRO A 14 -14.635 -17.211 -19.162 1.00 31.00 H new ATOM 220 N LEU A 15 -9.419 -16.082 -19.598 1.00 61.00 N ATOM 221 CA LEU A 15 -8.439 -16.261 -20.604 1.00 44.00 C ATOM 222 C LEU A 15 -7.146 -16.564 -19.983 1.00 32.00 C ATOM 223 O LEU A 15 -6.399 -15.654 -19.585 1.00 54.00 O ATOM 224 CB LEU A 15 -8.294 -15.019 -21.475 1.00 24.00 C ATOM 225 CG LEU A 15 -7.187 -15.092 -22.538 1.00 41.00 C ATOM 226 CD1 LEU A 15 -7.471 -16.178 -23.561 1.00 35.00 C ATOM 227 CD2 LEU A 15 -6.970 -13.743 -23.200 1.00 63.00 C ATOM 0 H LEU A 15 -9.326 -15.221 -19.060 1.00 61.00 H new ATOM 0 HA LEU A 15 -8.760 -17.088 -21.237 1.00 44.00 H new ATOM 0 HB2 LEU A 15 -9.244 -14.832 -21.975 1.00 24.00 H new ATOM 0 HB3 LEU A 15 -8.100 -14.162 -20.829 1.00 24.00 H new ATOM 0 HG LEU A 15 -6.260 -15.360 -22.031 1.00 41.00 H new ATOM 0 HD11 LEU A 15 -6.668 -16.202 -24.298 1.00 35.00 H new ATOM 0 HD12 LEU A 15 -7.532 -17.144 -23.059 1.00 35.00 H new ATOM 0 HD13 LEU A 15 -8.417 -15.969 -24.061 1.00 35.00 H new ATOM 0 HD21 LEU A 15 -6.181 -13.827 -23.947 1.00 63.00 H new ATOM 0 HD22 LEU A 15 -7.893 -13.422 -23.682 1.00 63.00 H new ATOM 0 HD23 LEU A 15 -6.680 -13.011 -22.447 1.00 63.00 H new ATOM 239 N THR A 16 -6.889 -17.793 -19.805 1.00 73.00 N ATOM 240 CA THR A 16 -5.635 -18.129 -19.313 1.00 54.00 C ATOM 241 C THR A 16 -4.790 -18.495 -20.514 1.00 24.00 C ATOM 242 O THR A 16 -5.231 -19.252 -21.388 1.00 51.00 O ATOM 243 CB THR A 16 -5.690 -19.269 -18.300 1.00 23.00 C ATOM 244 OG1 THR A 16 -6.910 -19.153 -17.545 1.00 53.00 O ATOM 245 CG2 THR A 16 -4.527 -19.127 -17.338 1.00 41.00 C ATOM 0 H THR A 16 -7.523 -18.570 -19.991 1.00 73.00 H new ATOM 0 HA THR A 16 -5.206 -17.288 -18.768 1.00 54.00 H new ATOM 0 HB THR A 16 -5.644 -20.228 -18.816 1.00 23.00 H new ATOM 0 HG1 THR A 16 -6.960 -19.881 -16.890 1.00 53.00 H new ATOM 0 HG21 THR A 16 -4.557 -19.937 -16.609 1.00 41.00 H new ATOM 0 HG22 THR A 16 -3.589 -19.171 -17.892 1.00 41.00 H new ATOM 0 HG23 THR A 16 -4.598 -18.170 -16.820 1.00 41.00 H new ATOM 253 N VAL A 17 -3.633 -17.940 -20.578 1.00 75.00 N ATOM 254 CA VAL A 17 -2.792 -18.080 -21.718 1.00 62.00 C ATOM 255 C VAL A 17 -1.557 -18.841 -21.347 1.00 32.00 C ATOM 256 O VAL A 17 -1.079 -18.743 -20.232 1.00 1.00 O ATOM 257 CB VAL A 17 -2.386 -16.675 -22.261 1.00 74.00 C ATOM 258 CG1 VAL A 17 -1.436 -16.776 -23.436 1.00 73.00 C ATOM 259 CG2 VAL A 17 -3.618 -15.887 -22.660 1.00 71.00 C ATOM 0 H VAL A 17 -3.236 -17.368 -19.832 1.00 75.00 H new ATOM 0 HA VAL A 17 -3.337 -18.621 -22.491 1.00 62.00 H new ATOM 0 HB VAL A 17 -1.867 -16.154 -21.456 1.00 74.00 H new ATOM 0 HG11 VAL A 17 -1.179 -15.775 -23.783 1.00 73.00 H new ATOM 0 HG12 VAL A 17 -0.530 -17.297 -23.127 1.00 73.00 H new ATOM 0 HG13 VAL A 17 -1.915 -17.329 -24.244 1.00 73.00 H new ATOM 0 HG21 VAL A 17 -3.318 -14.909 -23.037 1.00 71.00 H new ATOM 0 HG22 VAL A 17 -4.158 -16.426 -23.438 1.00 71.00 H new ATOM 0 HG23 VAL A 17 -4.265 -15.759 -21.792 1.00 71.00 H new ATOM 269 N LYS A 18 -1.095 -19.649 -22.236 1.00 62.00 N ATOM 270 CA LYS A 18 0.175 -20.258 -22.076 1.00 41.00 C ATOM 271 C LYS A 18 1.109 -19.551 -22.990 1.00 54.00 C ATOM 272 O LYS A 18 1.293 -19.949 -24.130 1.00 14.00 O ATOM 273 CB LYS A 18 0.167 -21.768 -22.345 1.00 72.00 C ATOM 274 CG LYS A 18 -0.408 -22.635 -21.222 1.00 60.00 C ATOM 275 CD LYS A 18 -1.860 -22.324 -20.888 1.00 61.00 C ATOM 276 CE LYS A 18 -2.365 -23.178 -19.727 1.00 64.00 C ATOM 277 NZ LYS A 18 -1.538 -23.015 -18.497 1.00 42.00 N ATOM 0 H LYS A 18 -1.587 -19.905 -23.092 1.00 62.00 H new ATOM 0 HA LYS A 18 0.489 -20.167 -21.036 1.00 41.00 H new ATOM 0 HB2 LYS A 18 -0.406 -21.954 -23.254 1.00 72.00 H new ATOM 0 HB3 LYS A 18 1.190 -22.090 -22.541 1.00 72.00 H new ATOM 0 HG2 LYS A 18 -0.327 -23.684 -21.508 1.00 60.00 H new ATOM 0 HG3 LYS A 18 0.198 -22.501 -20.326 1.00 60.00 H new ATOM 0 HD2 LYS A 18 -1.957 -21.269 -20.633 1.00 61.00 H new ATOM 0 HD3 LYS A 18 -2.481 -22.499 -21.766 1.00 61.00 H new ATOM 0 HE2 LYS A 18 -3.398 -22.909 -19.505 1.00 64.00 H new ATOM 0 HE3 LYS A 18 -2.365 -24.227 -20.025 1.00 64.00 H new ATOM 0 HZ1 LYS A 18 -2.044 -23.418 -17.683 1.00 42.00 H new ATOM 0 HZ2 LYS A 18 -0.631 -23.509 -18.620 1.00 42.00 H new ATOM 0 HZ3 LYS A 18 -1.361 -22.004 -18.329 1.00 42.00 H new ATOM 291 N LEU A 19 1.592 -18.435 -22.523 1.00 30.00 N ATOM 292 CA LEU A 19 2.450 -17.602 -23.231 1.00 25.00 C ATOM 293 C LEU A 19 3.839 -18.062 -22.978 1.00 30.00 C ATOM 294 O LEU A 19 4.489 -17.695 -21.982 1.00 21.00 O ATOM 295 CB LEU A 19 2.231 -16.205 -22.729 1.00 1.00 C ATOM 296 CG LEU A 19 3.135 -15.113 -23.229 1.00 73.00 C ATOM 297 CD1 LEU A 19 3.141 -15.037 -24.754 1.00 32.00 C ATOM 298 CD2 LEU A 19 2.729 -13.782 -22.623 1.00 32.00 C ATOM 0 H LEU A 19 1.372 -18.087 -21.590 1.00 30.00 H new ATOM 0 HA LEU A 19 2.268 -17.625 -24.305 1.00 25.00 H new ATOM 0 HB2 LEU A 19 1.206 -15.923 -22.970 1.00 1.00 H new ATOM 0 HB3 LEU A 19 2.308 -16.227 -21.642 1.00 1.00 H new ATOM 0 HG LEU A 19 4.152 -15.348 -22.915 1.00 73.00 H new ATOM 0 HD11 LEU A 19 3.806 -14.236 -25.076 1.00 32.00 H new ATOM 0 HD12 LEU A 19 3.490 -15.985 -25.164 1.00 32.00 H new ATOM 0 HD13 LEU A 19 2.131 -14.836 -25.112 1.00 32.00 H new ATOM 0 HD21 LEU A 19 3.390 -12.998 -22.992 1.00 32.00 H new ATOM 0 HD22 LEU A 19 1.701 -13.552 -22.905 1.00 32.00 H new ATOM 0 HD23 LEU A 19 2.804 -13.839 -21.537 1.00 32.00 H new ATOM 310 N ASN A 20 4.250 -18.946 -23.788 1.00 34.00 N ATOM 311 CA ASN A 20 5.562 -19.483 -23.662 1.00 60.00 C ATOM 312 C ASN A 20 6.481 -18.714 -24.583 1.00 64.00 C ATOM 313 O ASN A 20 6.509 -18.948 -25.794 1.00 72.00 O ATOM 314 CB ASN A 20 5.578 -20.986 -23.947 1.00 71.00 C ATOM 315 CG ASN A 20 6.937 -21.619 -23.727 1.00 73.00 C ATOM 316 OD1 ASN A 20 7.729 -21.153 -22.919 1.00 33.00 O ATOM 317 ND2 ASN A 20 7.195 -22.699 -24.410 1.00 62.00 N ATOM 0 H ASN A 20 3.700 -19.326 -24.559 1.00 34.00 H new ATOM 0 HA ASN A 20 5.914 -19.371 -22.636 1.00 60.00 H new ATOM 0 HB2 ASN A 20 4.846 -21.479 -23.307 1.00 71.00 H new ATOM 0 HB3 ASN A 20 5.267 -21.158 -24.977 1.00 71.00 H new ATOM 0 HD21 ASN A 20 8.082 -23.185 -24.279 1.00 62.00 H new ATOM 0 HD22 ASN A 20 6.510 -23.058 -25.075 1.00 62.00 H new ATOM 324 N ASN A 21 7.185 -17.762 -24.001 1.00 64.00 N ATOM 325 CA ASN A 21 8.041 -16.808 -24.729 1.00 1.00 C ATOM 326 C ASN A 21 9.068 -17.459 -25.679 1.00 35.00 C ATOM 327 O ASN A 21 9.183 -17.018 -26.822 1.00 54.00 O ATOM 328 CB ASN A 21 8.731 -15.821 -23.784 1.00 74.00 C ATOM 329 CG ASN A 21 7.760 -15.008 -22.946 1.00 70.00 C ATOM 330 OD1 ASN A 21 7.383 -15.412 -21.837 1.00 14.00 O ATOM 331 ND2 ASN A 21 7.343 -13.877 -23.448 1.00 73.00 N ATOM 0 H ASN A 21 7.187 -17.616 -22.991 1.00 64.00 H new ATOM 0 HA ASN A 21 7.349 -16.260 -25.369 1.00 1.00 H new ATOM 0 HB2 ASN A 21 9.399 -16.371 -23.121 1.00 74.00 H new ATOM 0 HB3 ASN A 21 9.351 -15.142 -24.369 1.00 74.00 H new ATOM 0 HD21 ASN A 21 6.687 -13.297 -22.924 1.00 73.00 H new ATOM 0 HD22 ASN A 21 7.673 -13.573 -24.364 1.00 73.00 H new ATOM 338 N PRO A 22 9.836 -18.526 -25.258 1.00 51.00 N ATOM 339 CA PRO A 22 10.787 -19.211 -26.161 1.00 53.00 C ATOM 340 C PRO A 22 10.108 -19.777 -27.422 1.00 53.00 C ATOM 341 O PRO A 22 10.760 -20.048 -28.417 1.00 50.00 O ATOM 342 CB PRO A 22 11.345 -20.353 -25.306 1.00 4.00 C ATOM 343 CG PRO A 22 11.190 -19.883 -23.908 1.00 3.00 C ATOM 344 CD PRO A 22 9.914 -19.095 -23.884 1.00 50.00 C ATOM 0 HA PRO A 22 11.548 -18.524 -26.531 1.00 53.00 H new ATOM 0 HB2 PRO A 22 10.797 -21.280 -25.476 1.00 4.00 H new ATOM 0 HB3 PRO A 22 12.390 -20.552 -25.544 1.00 4.00 H new ATOM 0 HG2 PRO A 22 11.144 -20.723 -23.215 1.00 3.00 H new ATOM 0 HG3 PRO A 22 12.037 -19.267 -23.606 1.00 3.00 H new ATOM 0 HD2 PRO A 22 9.055 -19.728 -23.661 1.00 50.00 H new ATOM 0 HD3 PRO A 22 9.939 -18.313 -23.126 1.00 50.00 H new ATOM 352 N ARG A 23 8.803 -19.939 -27.370 1.00 34.00 N ATOM 353 CA ARG A 23 8.053 -20.446 -28.508 1.00 12.00 C ATOM 354 C ARG A 23 7.293 -19.335 -29.213 1.00 61.00 C ATOM 355 O ARG A 23 7.080 -19.406 -30.416 1.00 3.00 O ATOM 356 CB ARG A 23 7.074 -21.533 -28.077 1.00 11.00 C ATOM 357 CG ARG A 23 7.726 -22.821 -27.609 1.00 13.00 C ATOM 358 CD ARG A 23 8.433 -23.552 -28.739 1.00 25.00 C ATOM 359 NE ARG A 23 7.513 -23.865 -29.840 1.00 64.00 N ATOM 360 CZ ARG A 23 7.775 -24.631 -30.900 1.00 14.00 C ATOM 361 NH1 ARG A 23 8.944 -25.256 -31.028 1.00 5.00 N ATOM 362 NH2 ARG A 23 6.841 -24.771 -31.824 1.00 71.00 N ATOM 0 H ARG A 23 8.234 -19.727 -26.550 1.00 34.00 H new ATOM 0 HA ARG A 23 8.777 -20.870 -29.203 1.00 12.00 H new ATOM 0 HB2 ARG A 23 6.450 -21.144 -27.272 1.00 11.00 H new ATOM 0 HB3 ARG A 23 6.412 -21.759 -28.913 1.00 11.00 H new ATOM 0 HG2 ARG A 23 8.443 -22.597 -26.819 1.00 13.00 H new ATOM 0 HG3 ARG A 23 6.968 -23.473 -27.175 1.00 13.00 H new ATOM 0 HD2 ARG A 23 9.253 -22.939 -29.113 1.00 25.00 H new ATOM 0 HD3 ARG A 23 8.872 -24.474 -28.358 1.00 25.00 H new ATOM 0 HE ARG A 23 6.580 -23.456 -29.789 1.00 64.00 H new ATOM 0 HH11 ARG A 23 9.659 -25.153 -30.308 1.00 5.00 H new ATOM 0 HH12 ARG A 23 9.125 -25.837 -31.846 1.00 5.00 H new ATOM 0 HH21 ARG A 23 5.943 -24.298 -31.718 1.00 71.00 H new ATOM 0 HH22 ARG A 23 7.018 -25.352 -32.644 1.00 71.00 H new ATOM 376 N GLN A 24 6.932 -18.285 -28.455 1.00 2.00 N ATOM 377 CA GLN A 24 6.084 -17.173 -28.928 1.00 33.00 C ATOM 378 C GLN A 24 4.706 -17.683 -29.286 1.00 42.00 C ATOM 379 O GLN A 24 3.978 -17.091 -30.100 1.00 3.00 O ATOM 380 CB GLN A 24 6.729 -16.433 -30.090 1.00 75.00 C ATOM 381 CG GLN A 24 7.876 -15.538 -29.674 1.00 44.00 C ATOM 382 CD GLN A 24 7.426 -14.407 -28.772 1.00 35.00 C ATOM 383 OE1 GLN A 24 7.384 -14.543 -27.553 1.00 13.00 O ATOM 384 NE2 GLN A 24 7.092 -13.290 -29.359 1.00 14.00 N ATOM 0 H GLN A 24 7.224 -18.182 -27.483 1.00 2.00 H new ATOM 0 HA GLN A 24 5.980 -16.453 -28.117 1.00 33.00 H new ATOM 0 HB2 GLN A 24 7.091 -17.160 -30.817 1.00 75.00 H new ATOM 0 HB3 GLN A 24 5.972 -15.830 -30.592 1.00 75.00 H new ATOM 0 HG2 GLN A 24 8.629 -16.133 -29.158 1.00 44.00 H new ATOM 0 HG3 GLN A 24 8.351 -15.123 -30.563 1.00 44.00 H new ATOM 0 HE21 GLN A 24 7.140 -13.214 -30.375 1.00 14.00 H new ATOM 0 HE22 GLN A 24 6.784 -12.493 -28.802 1.00 14.00 H new ATOM 393 N GLU A 25 4.344 -18.753 -28.628 1.00 21.00 N ATOM 394 CA GLU A 25 3.097 -19.403 -28.820 1.00 31.00 C ATOM 395 C GLU A 25 2.270 -19.309 -27.595 1.00 12.00 C ATOM 396 O GLU A 25 2.777 -19.420 -26.468 1.00 51.00 O ATOM 397 CB GLU A 25 3.285 -20.855 -29.234 1.00 41.00 C ATOM 398 CG GLU A 25 3.700 -21.001 -30.672 1.00 43.00 C ATOM 399 CD GLU A 25 4.100 -22.393 -31.033 1.00 62.00 C ATOM 400 OE1 GLU A 25 5.168 -22.841 -30.586 1.00 42.00 O ATOM 401 OE2 GLU A 25 3.379 -23.069 -31.787 1.00 31.00 O ATOM 0 H GLU A 25 4.934 -19.200 -27.926 1.00 21.00 H new ATOM 0 HA GLU A 25 2.576 -18.894 -29.631 1.00 31.00 H new ATOM 0 HB2 GLU A 25 4.038 -21.316 -28.595 1.00 41.00 H new ATOM 0 HB3 GLU A 25 2.354 -21.398 -29.072 1.00 41.00 H new ATOM 0 HG2 GLU A 25 2.876 -20.689 -31.314 1.00 43.00 H new ATOM 0 HG3 GLU A 25 4.533 -20.327 -30.873 1.00 43.00 H new ATOM 408 N VAL A 26 1.028 -19.062 -27.813 1.00 51.00 N ATOM 409 CA VAL A 26 0.059 -18.965 -26.773 1.00 12.00 C ATOM 410 C VAL A 26 -0.943 -20.074 -26.904 1.00 24.00 C ATOM 411 O VAL A 26 -1.530 -20.277 -27.966 1.00 42.00 O ATOM 412 CB VAL A 26 -0.672 -17.590 -26.763 1.00 32.00 C ATOM 413 CG1 VAL A 26 0.287 -16.474 -26.406 1.00 30.00 C ATOM 414 CG2 VAL A 26 -1.317 -17.275 -28.099 1.00 44.00 C ATOM 0 H VAL A 26 0.643 -18.917 -28.746 1.00 51.00 H new ATOM 0 HA VAL A 26 0.593 -19.053 -25.827 1.00 12.00 H new ATOM 0 HB VAL A 26 -1.456 -17.662 -26.009 1.00 32.00 H new ATOM 0 HG11 VAL A 26 -0.246 -15.523 -26.405 1.00 30.00 H new ATOM 0 HG12 VAL A 26 0.705 -16.656 -25.416 1.00 30.00 H new ATOM 0 HG13 VAL A 26 1.093 -16.438 -27.139 1.00 30.00 H new ATOM 0 HG21 VAL A 26 -1.815 -16.307 -28.044 1.00 44.00 H new ATOM 0 HG22 VAL A 26 -0.552 -17.246 -28.875 1.00 44.00 H new ATOM 0 HG23 VAL A 26 -2.049 -18.046 -28.340 1.00 44.00 H new ATOM 424 N SER A 27 -1.095 -20.818 -25.872 1.00 61.00 N ATOM 425 CA SER A 27 -2.098 -21.808 -25.837 1.00 54.00 C ATOM 426 C SER A 27 -3.167 -21.256 -24.951 1.00 11.00 C ATOM 427 O SER A 27 -2.920 -20.980 -23.776 1.00 20.00 O ATOM 428 CB SER A 27 -1.559 -23.101 -25.268 1.00 70.00 C ATOM 429 OG SER A 27 -0.235 -23.346 -25.741 1.00 73.00 O ATOM 0 H SER A 27 -0.526 -20.756 -25.028 1.00 61.00 H new ATOM 0 HA SER A 27 -2.471 -22.037 -26.835 1.00 54.00 H new ATOM 0 HB2 SER A 27 -1.559 -23.053 -24.179 1.00 70.00 H new ATOM 0 HB3 SER A 27 -2.210 -23.928 -25.550 1.00 70.00 H new ATOM 0 HG SER A 27 0.098 -24.186 -25.361 1.00 73.00 H new ATOM 435 N PHE A 28 -4.297 -21.026 -25.487 1.00 45.00 N ATOM 436 CA PHE A 28 -5.327 -20.409 -24.731 1.00 42.00 C ATOM 437 C PHE A 28 -6.521 -21.314 -24.660 1.00 55.00 C ATOM 438 O PHE A 28 -6.686 -22.228 -25.478 1.00 51.00 O ATOM 439 CB PHE A 28 -5.700 -19.028 -25.301 1.00 25.00 C ATOM 440 CG PHE A 28 -6.740 -19.037 -26.417 1.00 34.00 C ATOM 441 CD1 PHE A 28 -6.450 -19.530 -27.670 1.00 51.00 C ATOM 442 CD2 PHE A 28 -8.018 -18.545 -26.182 1.00 61.00 C ATOM 443 CE1 PHE A 28 -7.410 -19.535 -28.668 1.00 64.00 C ATOM 444 CE2 PHE A 28 -8.976 -18.548 -27.173 1.00 24.00 C ATOM 445 CZ PHE A 28 -8.672 -19.043 -28.417 1.00 74.00 C ATOM 0 H PHE A 28 -4.542 -21.254 -26.451 1.00 45.00 H new ATOM 0 HA PHE A 28 -4.958 -20.242 -23.719 1.00 42.00 H new ATOM 0 HB2 PHE A 28 -6.072 -18.407 -24.486 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -4.794 -18.552 -25.676 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -5.463 -19.917 -27.876 1.00 51.00 H new ATOM 0 HD2 PHE A 28 -8.265 -18.154 -25.206 1.00 61.00 H new ATOM 0 HE1 PHE A 28 -7.169 -19.926 -29.646 1.00 64.00 H new ATOM 0 HE2 PHE A 28 -9.964 -18.162 -26.971 1.00 24.00 H new ATOM 0 HZ PHE A 28 -9.420 -19.047 -29.196 1.00 74.00 H new ATOM 455 N VAL A 29 -7.339 -21.041 -23.734 1.00 72.00 N ATOM 456 CA VAL A 29 -8.480 -21.816 -23.462 1.00 23.00 C ATOM 457 C VAL A 29 -9.719 -21.184 -24.073 1.00 60.00 C ATOM 458 O VAL A 29 -10.097 -20.056 -23.777 1.00 54.00 O ATOM 459 CB VAL A 29 -8.634 -22.092 -21.931 1.00 61.00 C ATOM 460 CG1 VAL A 29 -8.830 -20.825 -21.100 1.00 74.00 C ATOM 461 CG2 VAL A 29 -9.709 -23.123 -21.663 1.00 61.00 C ATOM 0 H VAL A 29 -7.232 -20.238 -23.115 1.00 72.00 H new ATOM 0 HA VAL A 29 -8.354 -22.790 -23.935 1.00 23.00 H new ATOM 0 HB VAL A 29 -7.683 -22.509 -21.599 1.00 61.00 H new ATOM 0 HG11 VAL A 29 -8.930 -21.092 -20.048 1.00 74.00 H new ATOM 0 HG12 VAL A 29 -7.969 -20.169 -21.228 1.00 74.00 H new ATOM 0 HG13 VAL A 29 -9.731 -20.309 -21.430 1.00 74.00 H new ATOM 0 HG21 VAL A 29 -9.791 -23.292 -20.589 1.00 61.00 H new ATOM 0 HG22 VAL A 29 -10.663 -22.762 -22.048 1.00 61.00 H new ATOM 0 HG23 VAL A 29 -9.448 -24.058 -22.159 1.00 61.00 H new ATOM 471 N TYR A 30 -10.270 -21.904 -24.997 1.00 33.00 N ATOM 472 CA TYR A 30 -11.516 -21.542 -25.667 1.00 63.00 C ATOM 473 C TYR A 30 -12.656 -21.607 -24.666 1.00 32.00 C ATOM 474 O TYR A 30 -13.550 -20.737 -24.645 1.00 65.00 O ATOM 475 CB TYR A 30 -11.762 -22.525 -26.828 1.00 52.00 C ATOM 476 CG TYR A 30 -13.103 -22.397 -27.538 1.00 65.00 C ATOM 477 CD1 TYR A 30 -13.336 -21.390 -28.460 1.00 32.00 C ATOM 478 CD2 TYR A 30 -14.130 -23.308 -27.289 1.00 23.00 C ATOM 479 CE1 TYR A 30 -14.552 -21.289 -29.114 1.00 62.00 C ATOM 480 CE2 TYR A 30 -15.345 -23.211 -27.937 1.00 74.00 C ATOM 481 CZ TYR A 30 -15.551 -22.200 -28.847 1.00 1.00 C ATOM 482 OH TYR A 30 -16.758 -22.106 -29.506 1.00 73.00 O ATOM 0 H TYR A 30 -9.871 -22.783 -25.327 1.00 33.00 H new ATOM 0 HA TYR A 30 -11.454 -20.529 -26.065 1.00 63.00 H new ATOM 0 HB2 TYR A 30 -10.969 -22.392 -27.564 1.00 52.00 H new ATOM 0 HB3 TYR A 30 -11.673 -23.541 -26.443 1.00 52.00 H new ATOM 0 HD1 TYR A 30 -12.557 -20.673 -28.672 1.00 32.00 H new ATOM 0 HD2 TYR A 30 -13.971 -24.104 -26.576 1.00 23.00 H new ATOM 0 HE1 TYR A 30 -14.717 -20.499 -29.831 1.00 62.00 H new ATOM 0 HE2 TYR A 30 -16.129 -23.924 -27.731 1.00 74.00 H new ATOM 0 HH TYR A 30 -17.352 -22.824 -29.204 1.00 73.00 H new ATOM 492 N ASP A 31 -12.586 -22.637 -23.834 1.00 72.00 N ATOM 493 CA ASP A 31 -13.569 -22.933 -22.795 1.00 64.00 C ATOM 494 C ASP A 31 -13.227 -24.265 -22.178 1.00 1.00 C ATOM 495 O ASP A 31 -12.975 -24.373 -20.992 1.00 51.00 O ATOM 496 CB ASP A 31 -14.999 -23.021 -23.355 1.00 50.00 C ATOM 497 CG ASP A 31 -16.013 -23.291 -22.269 1.00 44.00 C ATOM 498 OD1 ASP A 31 -16.516 -22.324 -21.669 1.00 1.00 O ATOM 499 OD2 ASP A 31 -16.323 -24.464 -21.996 1.00 40.00 O ATOM 0 H ASP A 31 -11.821 -23.311 -23.862 1.00 72.00 H new ATOM 0 HA ASP A 31 -13.536 -22.124 -22.065 1.00 64.00 H new ATOM 0 HB2 ASP A 31 -15.249 -22.089 -23.861 1.00 50.00 H new ATOM 0 HB3 ASP A 31 -15.048 -23.813 -24.103 1.00 50.00 H new ATOM 504 N ASN A 32 -13.195 -25.280 -23.014 1.00 55.00 N ATOM 505 CA ASN A 32 -12.935 -26.637 -22.559 1.00 14.00 C ATOM 506 C ASN A 32 -11.858 -27.285 -23.440 1.00 12.00 C ATOM 507 O ASN A 32 -11.626 -28.476 -23.390 1.00 75.00 O ATOM 508 CB ASN A 32 -14.270 -27.440 -22.589 1.00 42.00 C ATOM 509 CG ASN A 32 -14.207 -28.841 -21.966 1.00 23.00 C ATOM 510 OD1 ASN A 32 -13.957 -29.840 -22.654 1.00 31.00 O ATOM 511 ND2 ASN A 32 -14.448 -28.928 -20.678 1.00 33.00 N ATOM 0 H ASN A 32 -13.346 -25.195 -24.019 1.00 55.00 H new ATOM 0 HA ASN A 32 -12.558 -26.632 -21.536 1.00 14.00 H new ATOM 0 HB2 ASN A 32 -15.034 -26.863 -22.068 1.00 42.00 H new ATOM 0 HB3 ASN A 32 -14.594 -27.535 -23.625 1.00 42.00 H new ATOM 0 HD21 ASN A 32 -14.432 -29.838 -20.217 1.00 33.00 H new ATOM 0 HD22 ASN A 32 -14.651 -28.086 -20.139 1.00 33.00 H new ATOM 518 N GLN A 33 -11.147 -26.475 -24.200 1.00 14.00 N ATOM 519 CA GLN A 33 -10.143 -26.973 -25.088 1.00 23.00 C ATOM 520 C GLN A 33 -9.163 -25.881 -25.272 1.00 15.00 C ATOM 521 O GLN A 33 -9.510 -24.684 -25.105 1.00 72.00 O ATOM 522 CB GLN A 33 -10.728 -27.406 -26.438 1.00 23.00 C ATOM 523 CG GLN A 33 -11.181 -26.262 -27.312 1.00 33.00 C ATOM 524 CD GLN A 33 -11.778 -26.728 -28.623 1.00 32.00 C ATOM 525 OE1 GLN A 33 -12.985 -26.921 -28.727 1.00 64.00 O ATOM 526 NE2 GLN A 33 -10.942 -26.949 -29.611 1.00 31.00 N ATOM 0 H GLN A 33 -11.256 -25.461 -24.212 1.00 14.00 H new ATOM 0 HA GLN A 33 -9.678 -27.863 -24.664 1.00 23.00 H new ATOM 0 HB2 GLN A 33 -9.978 -27.985 -26.977 1.00 23.00 H new ATOM 0 HB3 GLN A 33 -11.575 -28.069 -26.259 1.00 23.00 H new ATOM 0 HG2 GLN A 33 -11.919 -25.668 -26.772 1.00 33.00 H new ATOM 0 HG3 GLN A 33 -10.333 -25.608 -27.516 1.00 33.00 H new ATOM 0 HE21 GLN A 33 -9.945 -26.776 -29.484 1.00 31.00 H new ATOM 0 HE22 GLN A 33 -11.290 -27.294 -30.506 1.00 31.00 H new ATOM 535 N LEU A 34 -7.988 -26.243 -25.584 1.00 53.00 N ATOM 536 CA LEU A 34 -6.942 -25.309 -25.719 1.00 33.00 C ATOM 537 C LEU A 34 -6.558 -25.202 -27.179 1.00 71.00 C ATOM 538 O LEU A 34 -6.462 -26.214 -27.875 1.00 1.00 O ATOM 539 CB LEU A 34 -5.704 -25.735 -24.894 1.00 24.00 C ATOM 540 CG LEU A 34 -5.830 -25.842 -23.351 1.00 73.00 C ATOM 541 CD1 LEU A 34 -6.381 -24.584 -22.740 1.00 4.00 C ATOM 542 CD2 LEU A 34 -6.614 -27.075 -22.920 1.00 65.00 C ATOM 0 H LEU A 34 -7.716 -27.211 -25.757 1.00 53.00 H new ATOM 0 HA LEU A 34 -7.288 -24.345 -25.346 1.00 33.00 H new ATOM 0 HB2 LEU A 34 -5.379 -26.707 -25.266 1.00 24.00 H new ATOM 0 HB3 LEU A 34 -4.904 -25.027 -25.111 1.00 24.00 H new ATOM 0 HG LEU A 34 -4.818 -25.964 -22.965 1.00 73.00 H new ATOM 0 HD11 LEU A 34 -6.452 -24.705 -21.659 1.00 4.00 H new ATOM 0 HD12 LEU A 34 -5.720 -23.748 -22.969 1.00 4.00 H new ATOM 0 HD13 LEU A 34 -7.372 -24.385 -23.148 1.00 4.00 H new ATOM 0 HD21 LEU A 34 -6.675 -27.106 -21.832 1.00 65.00 H new ATOM 0 HD22 LEU A 34 -7.619 -27.032 -23.339 1.00 65.00 H new ATOM 0 HD23 LEU A 34 -6.109 -27.971 -23.280 1.00 65.00 H new ATOM 554 N LEU A 35 -6.399 -24.001 -27.650 1.00 72.00 N ATOM 555 CA LEU A 35 -5.903 -23.767 -28.982 1.00 34.00 C ATOM 556 C LEU A 35 -4.571 -23.125 -28.867 1.00 22.00 C ATOM 557 O LEU A 35 -4.183 -22.704 -27.781 1.00 65.00 O ATOM 558 CB LEU A 35 -6.812 -22.868 -29.824 1.00 51.00 C ATOM 559 CG LEU A 35 -8.151 -23.425 -30.296 1.00 44.00 C ATOM 560 CD1 LEU A 35 -7.996 -24.755 -31.017 1.00 31.00 C ATOM 561 CD2 LEU A 35 -9.181 -23.491 -29.188 1.00 41.00 C ATOM 0 H LEU A 35 -6.608 -23.152 -27.125 1.00 72.00 H new ATOM 0 HA LEU A 35 -5.858 -24.730 -29.490 1.00 34.00 H new ATOM 0 HB2 LEU A 35 -7.013 -21.966 -29.246 1.00 51.00 H new ATOM 0 HB3 LEU A 35 -6.250 -22.562 -30.707 1.00 51.00 H new ATOM 0 HG LEU A 35 -8.537 -22.713 -31.026 1.00 44.00 H new ATOM 0 HD11 LEU A 35 -8.975 -25.113 -31.335 1.00 31.00 H new ATOM 0 HD12 LEU A 35 -7.357 -24.623 -31.890 1.00 31.00 H new ATOM 0 HD13 LEU A 35 -7.544 -25.483 -30.344 1.00 31.00 H new ATOM 0 HD21 LEU A 35 -10.114 -23.895 -29.582 1.00 41.00 H new ATOM 0 HD22 LEU A 35 -8.815 -24.136 -28.389 1.00 41.00 H new ATOM 0 HD23 LEU A 35 -9.357 -22.490 -28.795 1.00 41.00 H new ATOM 573 N HIS A 36 -3.893 -22.995 -29.957 1.00 21.00 N ATOM 574 CA HIS A 36 -2.576 -22.435 -29.932 1.00 33.00 C ATOM 575 C HIS A 36 -2.388 -21.458 -31.060 1.00 3.00 C ATOM 576 O HIS A 36 -2.855 -21.679 -32.178 1.00 13.00 O ATOM 577 CB HIS A 36 -1.482 -23.525 -29.922 1.00 64.00 C ATOM 578 CG HIS A 36 -1.439 -24.421 -31.141 1.00 51.00 C ATOM 579 ND1 HIS A 36 -0.409 -24.341 -32.051 1.00 44.00 N ATOM 580 CD2 HIS A 36 -2.297 -25.392 -31.530 1.00 34.00 C ATOM 581 CE1 HIS A 36 -0.668 -25.258 -32.968 1.00 65.00 C ATOM 582 NE2 HIS A 36 -1.797 -25.917 -32.694 1.00 2.00 N ATOM 0 H HIS A 36 -4.227 -23.269 -30.881 1.00 21.00 H new ATOM 0 HA HIS A 36 -2.469 -21.885 -28.997 1.00 33.00 H new ATOM 0 HB2 HIS A 36 -0.512 -23.040 -29.816 1.00 64.00 H new ATOM 0 HB3 HIS A 36 -1.624 -24.149 -29.040 1.00 64.00 H new ATOM 0 HD2 HIS A 36 -3.201 -25.695 -31.022 1.00 34.00 H new ATOM 0 HE1 HIS A 36 -0.045 -25.450 -33.829 1.00 65.00 H new ATOM 0 HE2 HIS A 36 -2.209 -26.669 -33.246 1.00 2.00 H new ATOM 590 N LEU A 37 -1.769 -20.364 -30.742 1.00 51.00 N ATOM 591 CA LEU A 37 -1.482 -19.315 -31.694 1.00 73.00 C ATOM 592 C LEU A 37 -0.063 -18.961 -31.549 1.00 32.00 C ATOM 593 O LEU A 37 0.554 -19.287 -30.544 1.00 51.00 O ATOM 594 CB LEU A 37 -2.285 -18.039 -31.439 1.00 54.00 C ATOM 595 CG LEU A 37 -3.808 -18.101 -31.423 1.00 40.00 C ATOM 596 CD1 LEU A 37 -4.386 -18.851 -32.610 1.00 21.00 C ATOM 597 CD2 LEU A 37 -4.342 -18.598 -30.100 1.00 14.00 C ATOM 0 H LEU A 37 -1.439 -20.163 -29.798 1.00 51.00 H new ATOM 0 HA LEU A 37 -1.741 -19.690 -32.684 1.00 73.00 H new ATOM 0 HB2 LEU A 37 -1.964 -17.638 -30.477 1.00 54.00 H new ATOM 0 HB3 LEU A 37 -1.996 -17.314 -32.199 1.00 54.00 H new ATOM 0 HG LEU A 37 -4.156 -17.074 -31.533 1.00 40.00 H new ATOM 0 HD11 LEU A 37 -5.474 -18.860 -32.540 1.00 21.00 H new ATOM 0 HD12 LEU A 37 -4.086 -18.357 -33.534 1.00 21.00 H new ATOM 0 HD13 LEU A 37 -4.014 -19.876 -32.609 1.00 21.00 H new ATOM 0 HD21 LEU A 37 -5.431 -18.626 -30.135 1.00 14.00 H new ATOM 0 HD22 LEU A 37 -3.959 -19.600 -29.907 1.00 14.00 H new ATOM 0 HD23 LEU A 37 -4.021 -17.927 -29.303 1.00 14.00 H new ATOM 609 N LYS A 38 0.445 -18.261 -32.494 1.00 43.00 N ATOM 610 CA LYS A 38 1.815 -17.889 -32.466 1.00 1.00 C ATOM 611 C LYS A 38 2.008 -16.510 -32.999 1.00 64.00 C ATOM 612 O LYS A 38 1.267 -16.058 -33.870 1.00 34.00 O ATOM 613 CB LYS A 38 2.639 -18.849 -33.275 1.00 3.00 C ATOM 614 CG LYS A 38 2.275 -18.904 -34.733 1.00 61.00 C ATOM 615 CD LYS A 38 3.316 -19.656 -35.473 1.00 3.00 C ATOM 616 CE LYS A 38 2.966 -19.772 -36.938 1.00 20.00 C ATOM 617 NZ LYS A 38 4.012 -20.478 -37.694 1.00 4.00 N ATOM 0 H LYS A 38 -0.073 -17.929 -33.308 1.00 43.00 H new ATOM 0 HA LYS A 38 2.141 -17.916 -31.426 1.00 1.00 H new ATOM 0 HB2 LYS A 38 3.689 -18.572 -33.185 1.00 3.00 H new ATOM 0 HB3 LYS A 38 2.535 -19.847 -32.849 1.00 3.00 H new ATOM 0 HG2 LYS A 38 1.305 -19.385 -34.859 1.00 61.00 H new ATOM 0 HG3 LYS A 38 2.185 -17.895 -35.135 1.00 61.00 H new ATOM 0 HD2 LYS A 38 4.278 -19.154 -35.364 1.00 3.00 H new ATOM 0 HD3 LYS A 38 3.425 -20.651 -35.042 1.00 3.00 H new ATOM 0 HE2 LYS A 38 2.019 -20.302 -37.045 1.00 20.00 H new ATOM 0 HE3 LYS A 38 2.823 -18.776 -37.358 1.00 20.00 H new ATOM 0 HZ1 LYS A 38 3.736 -20.538 -38.695 1.00 4.00 H new ATOM 0 HZ2 LYS A 38 4.909 -19.959 -37.613 1.00 4.00 H new ATOM 0 HZ3 LYS A 38 4.131 -21.437 -37.310 1.00 4.00 H new ATOM 631 N GLN A 39 2.989 -15.860 -32.495 1.00 14.00 N ATOM 632 CA GLN A 39 3.334 -14.549 -32.935 1.00 71.00 C ATOM 633 C GLN A 39 4.291 -14.725 -34.075 1.00 5.00 C ATOM 634 O GLN A 39 5.402 -15.247 -33.913 1.00 43.00 O ATOM 635 CB GLN A 39 3.962 -13.757 -31.783 1.00 41.00 C ATOM 636 CG GLN A 39 4.169 -12.250 -32.023 1.00 21.00 C ATOM 637 CD GLN A 39 5.292 -11.902 -32.996 1.00 73.00 C ATOM 638 OE1 GLN A 39 6.290 -12.610 -33.099 1.00 70.00 O ATOM 639 NE2 GLN A 39 5.143 -10.817 -33.704 1.00 12.00 N ATOM 0 H GLN A 39 3.588 -16.223 -31.754 1.00 14.00 H new ATOM 0 HA GLN A 39 2.460 -13.985 -33.260 1.00 71.00 H new ATOM 0 HB2 GLN A 39 3.333 -13.880 -30.901 1.00 41.00 H new ATOM 0 HB3 GLN A 39 4.929 -14.202 -31.549 1.00 41.00 H new ATOM 0 HG2 GLN A 39 3.238 -11.826 -32.399 1.00 21.00 H new ATOM 0 HG3 GLN A 39 4.375 -11.770 -31.066 1.00 21.00 H new ATOM 0 HE21 GLN A 39 4.303 -10.249 -33.596 1.00 12.00 H new ATOM 0 HE22 GLN A 39 5.867 -10.536 -34.365 1.00 12.00 H new ATOM 648 N GLY A 40 3.811 -14.424 -35.208 1.00 24.00 N ATOM 649 CA GLY A 40 4.608 -14.458 -36.411 1.00 22.00 C ATOM 650 C GLY A 40 3.951 -13.660 -37.491 1.00 62.00 C ATOM 651 O GLY A 40 4.252 -13.812 -38.682 1.00 72.00 O ATOM 0 H GLY A 40 2.843 -14.140 -35.356 1.00 24.00 H new ATOM 0 HA2 GLY A 40 5.602 -14.059 -36.208 1.00 22.00 H new ATOM 0 HA3 GLY A 40 4.739 -15.489 -36.740 1.00 22.00 H new ATOM 655 N ILE A 41 3.033 -12.831 -37.069 1.00 53.00 N ATOM 656 CA ILE A 41 2.239 -11.985 -37.909 1.00 42.00 C ATOM 657 C ILE A 41 1.900 -10.814 -37.037 1.00 2.00 C ATOM 658 O ILE A 41 1.633 -11.004 -35.859 1.00 5.00 O ATOM 659 CB ILE A 41 0.871 -12.661 -38.318 1.00 33.00 C ATOM 660 CG1 ILE A 41 1.078 -14.004 -39.043 1.00 13.00 C ATOM 661 CG2 ILE A 41 0.041 -11.711 -39.191 1.00 5.00 C ATOM 662 CD1 ILE A 41 -0.206 -14.748 -39.352 1.00 71.00 C ATOM 0 H ILE A 41 2.811 -12.725 -36.079 1.00 53.00 H new ATOM 0 HA ILE A 41 2.780 -11.746 -38.824 1.00 42.00 H new ATOM 0 HB ILE A 41 0.328 -12.868 -37.396 1.00 33.00 H new ATOM 0 HG12 ILE A 41 1.613 -13.822 -39.975 1.00 13.00 H new ATOM 0 HG13 ILE A 41 1.715 -14.641 -38.429 1.00 13.00 H new ATOM 0 HG21 ILE A 41 -0.898 -12.194 -39.463 1.00 5.00 H new ATOM 0 HG22 ILE A 41 -0.169 -10.797 -38.636 1.00 5.00 H new ATOM 0 HG23 ILE A 41 0.599 -11.467 -40.095 1.00 5.00 H new ATOM 0 HD11 ILE A 41 0.029 -15.682 -39.862 1.00 71.00 H new ATOM 0 HD12 ILE A 41 -0.734 -14.965 -38.423 1.00 71.00 H new ATOM 0 HD13 ILE A 41 -0.838 -14.133 -39.993 1.00 71.00 H new ATOM 674 N SER A 42 1.976 -9.640 -37.546 1.00 51.00 N ATOM 675 CA SER A 42 1.545 -8.496 -36.821 1.00 63.00 C ATOM 676 C SER A 42 0.928 -7.519 -37.792 1.00 3.00 C ATOM 677 O SER A 42 1.060 -7.689 -39.008 1.00 35.00 O ATOM 678 CB SER A 42 2.700 -7.852 -36.048 1.00 10.00 C ATOM 679 OG SER A 42 3.302 -8.774 -35.139 1.00 24.00 O ATOM 0 H SER A 42 2.339 -9.441 -38.478 1.00 51.00 H new ATOM 0 HA SER A 42 0.804 -8.796 -36.080 1.00 63.00 H new ATOM 0 HB2 SER A 42 3.451 -7.489 -36.750 1.00 10.00 H new ATOM 0 HB3 SER A 42 2.332 -6.985 -35.498 1.00 10.00 H new ATOM 0 HG SER A 42 2.775 -9.600 -35.114 1.00 24.00 H new ATOM 685 N ALA A 43 0.215 -6.558 -37.274 1.00 1.00 N ATOM 686 CA ALA A 43 -0.384 -5.532 -38.061 1.00 2.00 C ATOM 687 C ALA A 43 -0.682 -4.331 -37.190 1.00 62.00 C ATOM 688 O ALA A 43 0.155 -3.466 -37.019 1.00 42.00 O ATOM 689 CB ALA A 43 -1.623 -6.012 -38.820 1.00 44.00 C ATOM 0 H ALA A 43 0.034 -6.470 -36.274 1.00 1.00 H new ATOM 0 HA ALA A 43 0.330 -5.240 -38.831 1.00 2.00 H new ATOM 0 HB1 ALA A 43 -2.036 -5.187 -39.401 1.00 44.00 H new ATOM 0 HB2 ALA A 43 -1.346 -6.826 -39.490 1.00 44.00 H new ATOM 0 HB3 ALA A 43 -2.371 -6.365 -38.110 1.00 44.00 H new ATOM 695 N SER A 44 -1.821 -4.337 -36.567 1.00 14.00 N ATOM 696 CA SER A 44 -2.223 -3.265 -35.696 1.00 23.00 C ATOM 697 C SER A 44 -2.050 -3.724 -34.250 1.00 34.00 C ATOM 698 O SER A 44 -2.817 -3.375 -33.356 1.00 21.00 O ATOM 699 CB SER A 44 -3.679 -2.924 -36.011 1.00 61.00 C ATOM 700 OG SER A 44 -3.829 -2.652 -37.400 1.00 70.00 O ATOM 0 H SER A 44 -2.505 -5.089 -36.647 1.00 14.00 H new ATOM 0 HA SER A 44 -1.615 -2.372 -35.843 1.00 23.00 H new ATOM 0 HB2 SER A 44 -4.325 -3.753 -35.723 1.00 61.00 H new ATOM 0 HB3 SER A 44 -3.992 -2.058 -35.427 1.00 61.00 H new ATOM 0 HG SER A 44 -4.766 -2.436 -37.592 1.00 70.00 H new ATOM 706 N GLY A 45 -1.018 -4.491 -34.030 1.00 44.00 N ATOM 707 CA GLY A 45 -0.746 -5.046 -32.746 1.00 21.00 C ATOM 708 C GLY A 45 0.220 -6.165 -32.889 1.00 20.00 C ATOM 709 O GLY A 45 1.066 -6.143 -33.788 1.00 50.00 O ATOM 0 H GLY A 45 -0.340 -4.747 -34.748 1.00 44.00 H new ATOM 0 HA2 GLY A 45 -0.338 -4.281 -32.085 1.00 21.00 H new ATOM 0 HA3 GLY A 45 -1.669 -5.403 -32.289 1.00 21.00 H new ATOM 713 N ALA A 46 0.029 -7.169 -32.111 1.00 62.00 N ATOM 714 CA ALA A 46 0.853 -8.300 -32.069 1.00 53.00 C ATOM 715 C ALA A 46 -0.086 -9.379 -32.331 1.00 22.00 C ATOM 716 O ALA A 46 -1.138 -9.445 -31.668 1.00 23.00 O ATOM 717 CB ALA A 46 1.454 -8.431 -30.692 1.00 43.00 C ATOM 0 H ALA A 46 -0.751 -7.216 -31.455 1.00 62.00 H new ATOM 0 HA ALA A 46 1.687 -8.279 -32.770 1.00 53.00 H new ATOM 0 HB1 ALA A 46 2.096 -9.311 -30.657 1.00 43.00 H new ATOM 0 HB2 ALA A 46 2.044 -7.543 -30.466 1.00 43.00 H new ATOM 0 HB3 ALA A 46 0.657 -8.534 -29.955 1.00 43.00 H new ATOM 723 N ARG A 47 0.175 -10.185 -33.288 1.00 41.00 N ATOM 724 CA ARG A 47 -0.818 -11.084 -33.639 1.00 52.00 C ATOM 725 C ARG A 47 -0.360 -12.493 -33.427 1.00 0.00 C ATOM 726 O ARG A 47 0.504 -13.004 -34.142 1.00 11.00 O ATOM 727 CB ARG A 47 -1.322 -10.870 -35.076 1.00 43.00 C ATOM 728 CG ARG A 47 -1.950 -9.515 -35.336 1.00 3.00 C ATOM 729 CD ARG A 47 -2.454 -9.412 -36.770 1.00 33.00 C ATOM 730 NE ARG A 47 -3.503 -10.404 -37.087 1.00 40.00 N ATOM 731 CZ ARG A 47 -4.230 -10.411 -38.230 1.00 63.00 C ATOM 732 NH1 ARG A 47 -4.002 -9.494 -39.170 1.00 11.00 N ATOM 733 NH2 ARG A 47 -5.173 -11.329 -38.422 1.00 63.00 N ATOM 0 H ARG A 47 1.044 -10.232 -33.820 1.00 41.00 H new ATOM 0 HA ARG A 47 -1.667 -10.897 -32.981 1.00 52.00 H new ATOM 0 HB2 ARG A 47 -0.486 -11.005 -35.763 1.00 43.00 H new ATOM 0 HB3 ARG A 47 -2.053 -11.644 -35.308 1.00 43.00 H new ATOM 0 HG2 ARG A 47 -2.777 -9.355 -34.644 1.00 3.00 H new ATOM 0 HG3 ARG A 47 -1.219 -8.729 -35.147 1.00 3.00 H new ATOM 0 HD2 ARG A 47 -2.847 -8.409 -36.940 1.00 33.00 H new ATOM 0 HD3 ARG A 47 -1.616 -9.546 -37.454 1.00 33.00 H new ATOM 0 HE ARG A 47 -3.692 -11.132 -36.399 1.00 40.00 H new ATOM 0 HH11 ARG A 47 -3.280 -8.787 -39.029 1.00 11.00 H new ATOM 0 HH12 ARG A 47 -4.549 -9.499 -40.031 1.00 11.00 H new ATOM 0 HH21 ARG A 47 -5.352 -12.033 -37.706 1.00 63.00 H new ATOM 0 HH22 ARG A 47 -5.717 -11.329 -39.285 1.00 63.00 H new ATOM 747 N TYR A 48 -0.892 -13.093 -32.432 1.00 52.00 N ATOM 748 CA TYR A 48 -0.674 -14.455 -32.178 1.00 31.00 C ATOM 749 C TYR A 48 -1.754 -15.131 -32.955 1.00 51.00 C ATOM 750 O TYR A 48 -2.911 -15.070 -32.614 1.00 2.00 O ATOM 751 CB TYR A 48 -0.776 -14.756 -30.677 1.00 20.00 C ATOM 752 CG TYR A 48 0.206 -13.992 -29.803 1.00 1.00 C ATOM 753 CD1 TYR A 48 -0.064 -12.686 -29.398 1.00 75.00 C ATOM 754 CD2 TYR A 48 1.387 -14.576 -29.369 1.00 24.00 C ATOM 755 CE1 TYR A 48 0.811 -11.989 -28.598 1.00 44.00 C ATOM 756 CE2 TYR A 48 2.270 -13.881 -28.558 1.00 42.00 C ATOM 757 CZ TYR A 48 1.974 -12.588 -28.178 1.00 72.00 C ATOM 758 OH TYR A 48 2.841 -11.891 -27.369 1.00 52.00 O ATOM 0 H TYR A 48 -1.505 -12.635 -31.758 1.00 52.00 H new ATOM 0 HA TYR A 48 0.320 -14.794 -32.469 1.00 31.00 H new ATOM 0 HB2 TYR A 48 -1.789 -14.530 -30.344 1.00 20.00 H new ATOM 0 HB3 TYR A 48 -0.621 -15.824 -30.524 1.00 20.00 H new ATOM 0 HD1 TYR A 48 -0.979 -12.211 -29.719 1.00 75.00 H new ATOM 0 HD2 TYR A 48 1.622 -15.587 -29.667 1.00 24.00 H new ATOM 0 HE1 TYR A 48 0.585 -10.975 -28.301 1.00 44.00 H new ATOM 0 HE2 TYR A 48 3.185 -14.349 -28.225 1.00 42.00 H new ATOM 0 HH TYR A 48 3.616 -12.453 -27.159 1.00 52.00 H new ATOM 768 N THR A 49 -1.415 -15.670 -34.046 1.00 30.00 N ATOM 769 CA THR A 49 -2.389 -16.171 -34.931 1.00 35.00 C ATOM 770 C THR A 49 -1.823 -17.342 -35.675 1.00 31.00 C ATOM 771 O THR A 49 -0.695 -17.296 -36.156 1.00 52.00 O ATOM 772 CB THR A 49 -2.807 -15.070 -35.939 1.00 64.00 C ATOM 773 OG1 THR A 49 -3.294 -13.904 -35.238 1.00 2.00 O ATOM 774 CG2 THR A 49 -3.862 -15.560 -36.925 1.00 14.00 C ATOM 0 H THR A 49 -0.451 -15.781 -34.360 1.00 30.00 H new ATOM 0 HA THR A 49 -3.265 -16.483 -34.363 1.00 35.00 H new ATOM 0 HB THR A 49 -1.918 -14.807 -36.512 1.00 64.00 H new ATOM 0 HG1 THR A 49 -3.356 -13.150 -35.861 1.00 2.00 H new ATOM 0 HG21 THR A 49 -4.122 -14.753 -37.610 1.00 14.00 H new ATOM 0 HG22 THR A 49 -3.467 -16.404 -37.491 1.00 14.00 H new ATOM 0 HG23 THR A 49 -4.752 -15.874 -36.379 1.00 14.00 H new ATOM 782 N ASP A 50 -2.563 -18.394 -35.701 1.00 31.00 N ATOM 783 CA ASP A 50 -2.186 -19.550 -36.470 1.00 70.00 C ATOM 784 C ASP A 50 -3.095 -19.651 -37.681 1.00 35.00 C ATOM 785 O ASP A 50 -2.713 -20.143 -38.740 1.00 20.00 O ATOM 786 CB ASP A 50 -2.263 -20.820 -35.616 1.00 34.00 C ATOM 787 CG ASP A 50 -2.031 -22.087 -36.413 1.00 51.00 C ATOM 788 OD1 ASP A 50 -0.883 -22.372 -36.785 1.00 1.00 O ATOM 789 OD2 ASP A 50 -2.999 -22.808 -36.687 1.00 2.00 O ATOM 0 H ASP A 50 -3.444 -18.488 -35.196 1.00 31.00 H new ATOM 0 HA ASP A 50 -1.153 -19.446 -36.803 1.00 70.00 H new ATOM 0 HB2 ASP A 50 -1.523 -20.759 -34.818 1.00 34.00 H new ATOM 0 HB3 ASP A 50 -3.242 -20.872 -35.140 1.00 34.00 H new ATOM 794 N GLY A 51 -4.284 -19.109 -37.530 1.00 22.00 N ATOM 795 CA GLY A 51 -5.265 -19.160 -38.576 1.00 65.00 C ATOM 796 C GLY A 51 -6.565 -19.695 -38.057 1.00 32.00 C ATOM 797 O GLY A 51 -7.599 -19.508 -38.660 1.00 64.00 O ATOM 0 H GLY A 51 -4.590 -18.627 -36.685 1.00 22.00 H new ATOM 0 HA2 GLY A 51 -5.415 -18.163 -38.989 1.00 65.00 H new ATOM 0 HA3 GLY A 51 -4.905 -19.791 -39.389 1.00 65.00 H new ATOM 801 N ILE A 52 -6.504 -20.365 -36.919 1.00 62.00 N ATOM 802 CA ILE A 52 -7.703 -20.878 -36.266 1.00 0.00 C ATOM 803 C ILE A 52 -8.447 -19.681 -35.698 1.00 5.00 C ATOM 804 O ILE A 52 -9.615 -19.454 -35.977 1.00 20.00 O ATOM 805 CB ILE A 52 -7.341 -21.863 -35.117 1.00 61.00 C ATOM 806 CG1 ILE A 52 -6.461 -23.006 -35.653 1.00 71.00 C ATOM 807 CG2 ILE A 52 -8.613 -22.423 -34.478 1.00 42.00 C ATOM 808 CD1 ILE A 52 -5.972 -23.973 -34.590 1.00 23.00 C ATOM 0 H ILE A 52 -5.635 -20.569 -36.424 1.00 62.00 H new ATOM 0 HA ILE A 52 -8.314 -21.425 -36.984 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.780 -21.321 -34.355 1.00 61.00 H new ATOM 0 HG12 ILE A 52 -7.026 -23.563 -36.401 1.00 71.00 H new ATOM 0 HG13 ILE A 52 -5.597 -22.576 -36.160 1.00 71.00 H new ATOM 0 HG21 ILE A 52 -8.345 -23.111 -33.676 1.00 42.00 H new ATOM 0 HG22 ILE A 52 -9.207 -21.604 -34.071 1.00 42.00 H new ATOM 0 HG23 ILE A 52 -9.195 -22.954 -35.231 1.00 42.00 H new ATOM 0 HD11 ILE A 52 -5.360 -24.746 -35.055 1.00 23.00 H new ATOM 0 HD12 ILE A 52 -5.377 -23.433 -33.853 1.00 23.00 H new ATOM 0 HD13 ILE A 52 -6.827 -24.435 -34.097 1.00 23.00 H new ATOM 820 N TYR A 53 -7.726 -18.913 -34.928 1.00 21.00 N ATOM 821 CA TYR A 53 -8.191 -17.673 -34.398 1.00 24.00 C ATOM 822 C TYR A 53 -7.095 -16.696 -34.524 1.00 13.00 C ATOM 823 O TYR A 53 -5.938 -17.067 -34.820 1.00 74.00 O ATOM 824 CB TYR A 53 -8.585 -17.756 -32.930 1.00 43.00 C ATOM 825 CG TYR A 53 -9.718 -18.706 -32.650 1.00 14.00 C ATOM 826 CD1 TYR A 53 -11.004 -18.408 -33.062 1.00 2.00 C ATOM 827 CD2 TYR A 53 -9.504 -19.905 -31.983 1.00 45.00 C ATOM 828 CE1 TYR A 53 -12.041 -19.274 -32.826 1.00 53.00 C ATOM 829 CE2 TYR A 53 -10.545 -20.777 -31.741 1.00 12.00 C ATOM 830 CZ TYR A 53 -11.809 -20.454 -32.166 1.00 23.00 C ATOM 831 OH TYR A 53 -12.853 -21.324 -31.939 1.00 3.00 O ATOM 0 H TYR A 53 -6.773 -19.144 -34.648 1.00 21.00 H new ATOM 0 HA TYR A 53 -9.082 -17.386 -34.956 1.00 24.00 H new ATOM 0 HB2 TYR A 53 -7.716 -18.063 -32.349 1.00 43.00 H new ATOM 0 HB3 TYR A 53 -8.865 -16.761 -32.583 1.00 43.00 H new ATOM 0 HD1 TYR A 53 -11.195 -17.479 -33.578 1.00 2.00 H new ATOM 0 HD2 TYR A 53 -8.509 -20.158 -31.649 1.00 45.00 H new ATOM 0 HE1 TYR A 53 -13.038 -19.027 -33.159 1.00 53.00 H new ATOM 0 HE2 TYR A 53 -10.367 -21.707 -31.221 1.00 12.00 H new ATOM 0 HH TYR A 53 -13.187 -21.203 -31.025 1.00 3.00 H new ATOM 841 N VAL A 54 -7.431 -15.493 -34.321 1.00 33.00 N ATOM 842 CA VAL A 54 -6.527 -14.418 -34.334 1.00 44.00 C ATOM 843 C VAL A 54 -6.494 -13.862 -32.940 1.00 4.00 C ATOM 844 O VAL A 54 -7.482 -13.302 -32.474 1.00 40.00 O ATOM 845 CB VAL A 54 -7.033 -13.343 -35.293 1.00 60.00 C ATOM 846 CG1 VAL A 54 -6.170 -12.082 -35.233 1.00 2.00 C ATOM 847 CG2 VAL A 54 -7.105 -13.881 -36.718 1.00 13.00 C ATOM 0 H VAL A 54 -8.393 -15.211 -34.131 1.00 33.00 H new ATOM 0 HA VAL A 54 -5.536 -14.739 -34.656 1.00 44.00 H new ATOM 0 HB VAL A 54 -8.039 -13.068 -34.976 1.00 60.00 H new ATOM 0 HG11 VAL A 54 -6.561 -11.340 -35.929 1.00 2.00 H new ATOM 0 HG12 VAL A 54 -6.189 -11.676 -34.222 1.00 2.00 H new ATOM 0 HG13 VAL A 54 -5.144 -12.330 -35.506 1.00 2.00 H new ATOM 0 HG21 VAL A 54 -7.468 -13.099 -37.384 1.00 13.00 H new ATOM 0 HG22 VAL A 54 -6.112 -14.198 -37.038 1.00 13.00 H new ATOM 0 HG23 VAL A 54 -7.786 -14.731 -36.752 1.00 13.00 H new ATOM 857 N PHE A 55 -5.418 -14.086 -32.266 1.00 72.00 N ATOM 858 CA PHE A 55 -5.243 -13.594 -30.934 1.00 63.00 C ATOM 859 C PHE A 55 -4.435 -12.316 -31.063 1.00 14.00 C ATOM 860 O PHE A 55 -3.213 -12.327 -31.224 1.00 33.00 O ATOM 861 CB PHE A 55 -4.547 -14.667 -30.068 1.00 24.00 C ATOM 862 CG PHE A 55 -4.367 -14.345 -28.610 1.00 3.00 C ATOM 863 CD1 PHE A 55 -3.348 -13.512 -28.180 1.00 31.00 C ATOM 864 CD2 PHE A 55 -5.208 -14.901 -27.669 1.00 14.00 C ATOM 865 CE1 PHE A 55 -3.179 -13.237 -26.844 1.00 15.00 C ATOM 866 CE2 PHE A 55 -5.042 -14.632 -26.332 1.00 43.00 C ATOM 867 CZ PHE A 55 -4.028 -13.799 -25.919 1.00 64.00 C ATOM 0 H PHE A 55 -4.626 -14.620 -32.623 1.00 72.00 H new ATOM 0 HA PHE A 55 -6.187 -13.378 -30.434 1.00 63.00 H new ATOM 0 HB2 PHE A 55 -5.121 -15.591 -30.144 1.00 24.00 H new ATOM 0 HB3 PHE A 55 -3.565 -14.866 -30.497 1.00 24.00 H new ATOM 0 HD1 PHE A 55 -2.677 -13.073 -28.904 1.00 31.00 H new ATOM 0 HD2 PHE A 55 -6.006 -15.555 -27.987 1.00 14.00 H new ATOM 0 HE1 PHE A 55 -2.383 -12.582 -26.522 1.00 15.00 H new ATOM 0 HE2 PHE A 55 -5.707 -15.074 -25.605 1.00 43.00 H new ATOM 0 HZ PHE A 55 -3.898 -13.586 -24.868 1.00 64.00 H new ATOM 877 N TRP A 56 -5.130 -11.248 -31.071 1.00 62.00 N ATOM 878 CA TRP A 56 -4.605 -9.987 -31.327 1.00 41.00 C ATOM 879 C TRP A 56 -4.428 -9.247 -30.042 1.00 3.00 C ATOM 880 O TRP A 56 -5.362 -9.039 -29.263 1.00 4.00 O ATOM 881 CB TRP A 56 -5.522 -9.264 -32.304 1.00 24.00 C ATOM 882 CG TRP A 56 -5.165 -7.851 -32.632 1.00 14.00 C ATOM 883 CD1 TRP A 56 -3.929 -7.282 -32.651 1.00 3.00 C ATOM 884 CD2 TRP A 56 -6.080 -6.836 -33.040 1.00 34.00 C ATOM 885 NE1 TRP A 56 -4.030 -5.970 -33.000 1.00 33.00 N ATOM 886 CE2 TRP A 56 -5.340 -5.672 -33.259 1.00 54.00 C ATOM 887 CE3 TRP A 56 -7.462 -6.803 -33.233 1.00 33.00 C ATOM 888 CZ2 TRP A 56 -5.931 -4.476 -33.663 1.00 71.00 C ATOM 889 CZ3 TRP A 56 -8.047 -5.622 -33.635 1.00 11.00 C ATOM 890 CH2 TRP A 56 -7.283 -4.473 -33.850 1.00 1.00 C ATOM 0 H TRP A 56 -6.133 -11.239 -30.888 1.00 62.00 H new ATOM 0 HA TRP A 56 -3.620 -10.059 -31.788 1.00 41.00 H new ATOM 0 HB2 TRP A 56 -5.548 -9.834 -33.233 1.00 24.00 H new ATOM 0 HB3 TRP A 56 -6.532 -9.275 -31.895 1.00 24.00 H new ATOM 0 HD1 TRP A 56 -3.006 -7.795 -32.423 1.00 3.00 H new ATOM 0 HE1 TRP A 56 -3.252 -5.313 -33.059 1.00 33.00 H new ATOM 0 HE3 TRP A 56 -8.061 -7.686 -33.070 1.00 33.00 H new ATOM 0 HZ2 TRP A 56 -5.341 -3.585 -33.822 1.00 71.00 H new ATOM 0 HZ3 TRP A 56 -9.116 -5.584 -33.787 1.00 11.00 H new ATOM 0 HH2 TRP A 56 -7.771 -3.565 -34.170 1.00 1.00 H new ATOM 901 N SER A 57 -3.241 -8.899 -29.833 1.00 11.00 N ATOM 902 CA SER A 57 -2.832 -8.181 -28.686 1.00 4.00 C ATOM 903 C SER A 57 -2.536 -6.758 -29.112 1.00 25.00 C ATOM 904 O SER A 57 -1.654 -6.520 -29.941 1.00 3.00 O ATOM 905 CB SER A 57 -1.583 -8.843 -28.085 1.00 72.00 C ATOM 906 OG SER A 57 -1.208 -8.246 -26.842 1.00 33.00 O ATOM 0 H SER A 57 -2.478 -9.108 -30.477 1.00 11.00 H new ATOM 0 HA SER A 57 -3.612 -8.182 -27.925 1.00 4.00 H new ATOM 0 HB2 SER A 57 -1.773 -9.906 -27.934 1.00 72.00 H new ATOM 0 HB3 SER A 57 -0.755 -8.764 -28.790 1.00 72.00 H new ATOM 0 HG SER A 57 -0.411 -8.695 -26.491 1.00 33.00 H new ATOM 912 N LYS A 58 -3.311 -5.833 -28.622 1.00 74.00 N ATOM 913 CA LYS A 58 -3.105 -4.446 -28.915 1.00 45.00 C ATOM 914 C LYS A 58 -2.930 -3.641 -27.642 1.00 54.00 C ATOM 915 O LYS A 58 -3.783 -2.833 -27.259 1.00 22.00 O ATOM 916 CB LYS A 58 -4.205 -3.881 -29.830 1.00 62.00 C ATOM 917 CG LYS A 58 -5.586 -4.486 -29.598 1.00 52.00 C ATOM 918 CD LYS A 58 -6.662 -3.689 -30.303 1.00 72.00 C ATOM 919 CE LYS A 58 -8.038 -4.365 -30.259 1.00 22.00 C ATOM 920 NZ LYS A 58 -8.532 -4.605 -28.892 1.00 70.00 N ATOM 0 H LYS A 58 -4.104 -6.021 -28.008 1.00 74.00 H new ATOM 0 HA LYS A 58 -2.175 -4.358 -29.477 1.00 45.00 H new ATOM 0 HB2 LYS A 58 -4.264 -2.802 -29.684 1.00 62.00 H new ATOM 0 HB3 LYS A 58 -3.918 -4.047 -30.868 1.00 62.00 H new ATOM 0 HG2 LYS A 58 -5.599 -5.515 -29.957 1.00 52.00 H new ATOM 0 HG3 LYS A 58 -5.796 -4.518 -28.529 1.00 52.00 H new ATOM 0 HD2 LYS A 58 -6.734 -2.702 -29.845 1.00 72.00 H new ATOM 0 HD3 LYS A 58 -6.371 -3.538 -31.343 1.00 72.00 H new ATOM 0 HE2 LYS A 58 -8.757 -3.743 -30.792 1.00 22.00 H new ATOM 0 HE3 LYS A 58 -7.984 -5.316 -30.789 1.00 22.00 H new ATOM 0 HZ1 LYS A 58 -9.555 -4.420 -28.855 1.00 70.00 H new ATOM 0 HZ2 LYS A 58 -8.349 -5.593 -28.625 1.00 70.00 H new ATOM 0 HZ3 LYS A 58 -8.041 -3.971 -28.229 1.00 70.00 H new ATOM 934 N GLY A 59 -1.848 -3.914 -26.959 1.00 45.00 N ATOM 935 CA GLY A 59 -1.543 -3.233 -25.741 1.00 20.00 C ATOM 936 C GLY A 59 -1.945 -4.043 -24.546 1.00 42.00 C ATOM 937 O GLY A 59 -1.457 -5.158 -24.353 1.00 65.00 O ATOM 0 H GLY A 59 -1.159 -4.614 -27.236 1.00 45.00 H new ATOM 0 HA2 GLY A 59 -0.474 -3.023 -25.697 1.00 20.00 H new ATOM 0 HA3 GLY A 59 -2.057 -2.272 -25.721 1.00 20.00 H new ATOM 941 N ASP A 60 -2.864 -3.518 -23.785 1.00 3.00 N ATOM 942 CA ASP A 60 -3.346 -4.167 -22.570 1.00 21.00 C ATOM 943 C ASP A 60 -4.676 -4.803 -22.838 1.00 43.00 C ATOM 944 O ASP A 60 -5.358 -5.238 -21.939 1.00 0.00 O ATOM 945 CB ASP A 60 -3.500 -3.159 -21.418 1.00 61.00 C ATOM 946 CG ASP A 60 -2.198 -2.566 -20.953 1.00 51.00 C ATOM 947 OD1 ASP A 60 -1.776 -1.519 -21.490 1.00 44.00 O ATOM 948 OD2 ASP A 60 -1.568 -3.120 -20.030 1.00 33.00 O ATOM 0 H ASP A 60 -3.311 -2.622 -23.980 1.00 3.00 H new ATOM 0 HA ASP A 60 -2.614 -4.919 -22.277 1.00 21.00 H new ATOM 0 HB2 ASP A 60 -4.162 -2.354 -21.738 1.00 61.00 H new ATOM 0 HB3 ASP A 60 -3.984 -3.654 -20.576 1.00 61.00 H new ATOM 953 N GLU A 61 -5.022 -4.893 -24.079 1.00 23.00 N ATOM 954 CA GLU A 61 -6.284 -5.414 -24.472 1.00 74.00 C ATOM 955 C GLU A 61 -6.060 -6.491 -25.509 1.00 2.00 C ATOM 956 O GLU A 61 -5.204 -6.351 -26.409 1.00 34.00 O ATOM 957 CB GLU A 61 -7.200 -4.284 -24.963 1.00 0.00 C ATOM 958 CG GLU A 61 -6.641 -3.509 -26.117 1.00 75.00 C ATOM 959 CD GLU A 61 -7.470 -2.321 -26.515 1.00 40.00 C ATOM 960 OE1 GLU A 61 -7.236 -1.221 -25.993 1.00 2.00 O ATOM 961 OE2 GLU A 61 -8.343 -2.447 -27.391 1.00 21.00 O ATOM 0 H GLU A 61 -4.428 -4.603 -24.856 1.00 23.00 H new ATOM 0 HA GLU A 61 -6.796 -5.868 -23.624 1.00 74.00 H new ATOM 0 HB2 GLU A 61 -8.161 -4.709 -25.254 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.391 -3.599 -24.137 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.637 -3.169 -25.861 1.00 75.00 H new ATOM 0 HG3 GLU A 61 -6.543 -4.174 -26.975 1.00 75.00 H new ATOM 968 N ALA A 62 -6.785 -7.558 -25.374 1.00 1.00 N ATOM 969 CA ALA A 62 -6.624 -8.701 -26.178 1.00 22.00 C ATOM 970 C ALA A 62 -7.936 -9.027 -26.824 1.00 20.00 C ATOM 971 O ALA A 62 -9.002 -8.949 -26.188 1.00 30.00 O ATOM 972 CB ALA A 62 -6.153 -9.867 -25.331 1.00 43.00 C ATOM 0 H ALA A 62 -7.524 -7.647 -24.676 1.00 1.00 H new ATOM 0 HA ALA A 62 -5.876 -8.509 -26.947 1.00 22.00 H new ATOM 0 HB1 ALA A 62 -6.031 -10.748 -25.961 1.00 43.00 H new ATOM 0 HB2 ALA A 62 -5.199 -9.617 -24.867 1.00 43.00 H new ATOM 0 HB3 ALA A 62 -6.890 -10.075 -24.556 1.00 43.00 H new ATOM 978 N THR A 63 -7.866 -9.332 -28.054 1.00 30.00 N ATOM 979 CA THR A 63 -9.010 -9.678 -28.844 1.00 23.00 C ATOM 980 C THR A 63 -8.737 -11.006 -29.575 1.00 34.00 C ATOM 981 O THR A 63 -7.636 -11.229 -30.050 1.00 23.00 O ATOM 982 CB THR A 63 -9.251 -8.567 -29.887 1.00 44.00 C ATOM 983 OG1 THR A 63 -9.111 -7.296 -29.239 1.00 3.00 O ATOM 984 CG2 THR A 63 -10.656 -8.661 -30.462 1.00 32.00 C ATOM 0 H THR A 63 -6.989 -9.354 -28.574 1.00 30.00 H new ATOM 0 HA THR A 63 -9.886 -9.784 -28.204 1.00 23.00 H new ATOM 0 HB THR A 63 -8.529 -8.680 -30.696 1.00 44.00 H new ATOM 0 HG1 THR A 63 -9.980 -7.010 -28.889 1.00 3.00 H new ATOM 0 HG21 THR A 63 -10.803 -7.868 -31.195 1.00 32.00 H new ATOM 0 HG22 THR A 63 -10.788 -9.630 -30.944 1.00 32.00 H new ATOM 0 HG23 THR A 63 -11.386 -8.553 -29.659 1.00 32.00 H new ATOM 992 N VAL A 64 -9.719 -11.875 -29.625 1.00 15.00 N ATOM 993 CA VAL A 64 -9.613 -13.137 -30.328 1.00 23.00 C ATOM 994 C VAL A 64 -10.732 -13.167 -31.346 1.00 0.00 C ATOM 995 O VAL A 64 -11.902 -13.447 -31.007 1.00 21.00 O ATOM 996 CB VAL A 64 -9.714 -14.362 -29.383 1.00 54.00 C ATOM 997 CG1 VAL A 64 -9.601 -15.651 -30.164 1.00 75.00 C ATOM 998 CG2 VAL A 64 -8.644 -14.310 -28.311 1.00 5.00 C ATOM 0 H VAL A 64 -10.623 -11.727 -29.176 1.00 15.00 H new ATOM 0 HA VAL A 64 -8.633 -13.205 -30.799 1.00 23.00 H new ATOM 0 HB VAL A 64 -10.690 -14.329 -28.900 1.00 54.00 H new ATOM 0 HG11 VAL A 64 -9.674 -16.498 -29.481 1.00 75.00 H new ATOM 0 HG12 VAL A 64 -10.406 -15.704 -30.896 1.00 75.00 H new ATOM 0 HG13 VAL A 64 -8.640 -15.682 -30.678 1.00 75.00 H new ATOM 0 HG21 VAL A 64 -8.737 -15.180 -27.662 1.00 5.00 H new ATOM 0 HG22 VAL A 64 -7.660 -14.310 -28.779 1.00 5.00 H new ATOM 0 HG23 VAL A 64 -8.765 -13.402 -27.720 1.00 5.00 H new ATOM 1008 N TYR A 65 -10.389 -12.854 -32.564 1.00 5.00 N ATOM 1009 CA TYR A 65 -11.367 -12.603 -33.596 1.00 72.00 C ATOM 1010 C TYR A 65 -10.925 -13.262 -34.888 1.00 52.00 C ATOM 1011 O TYR A 65 -10.014 -12.801 -35.534 1.00 11.00 O ATOM 1012 CB TYR A 65 -11.341 -11.078 -33.806 1.00 33.00 C ATOM 1013 CG TYR A 65 -12.477 -10.412 -34.567 1.00 53.00 C ATOM 1014 CD1 TYR A 65 -12.737 -10.676 -35.913 1.00 22.00 C ATOM 1015 CD2 TYR A 65 -13.276 -9.475 -33.920 1.00 53.00 C ATOM 1016 CE1 TYR A 65 -13.772 -10.032 -36.577 1.00 11.00 C ATOM 1017 CE2 TYR A 65 -14.305 -8.833 -34.572 1.00 22.00 C ATOM 1018 CZ TYR A 65 -14.554 -9.110 -35.896 1.00 12.00 C ATOM 1019 OH TYR A 65 -15.602 -8.474 -36.540 1.00 21.00 O ATOM 0 H TYR A 65 -9.422 -12.764 -32.874 1.00 5.00 H new ATOM 0 HA TYR A 65 -12.351 -12.984 -33.323 1.00 72.00 H new ATOM 0 HB2 TYR A 65 -11.289 -10.613 -32.822 1.00 33.00 H new ATOM 0 HB3 TYR A 65 -10.413 -10.834 -34.323 1.00 33.00 H new ATOM 0 HD1 TYR A 65 -12.125 -11.390 -36.444 1.00 22.00 H new ATOM 0 HD2 TYR A 65 -13.085 -9.246 -32.882 1.00 53.00 H new ATOM 0 HE1 TYR A 65 -13.967 -10.247 -37.617 1.00 11.00 H new ATOM 0 HE2 TYR A 65 -14.915 -8.114 -34.045 1.00 22.00 H new ATOM 0 HH TYR A 65 -16.045 -7.861 -35.917 1.00 21.00 H new ATOM 1029 N LYS A 66 -11.520 -14.346 -35.211 1.00 74.00 N ATOM 1030 CA LYS A 66 -11.399 -14.907 -36.478 1.00 32.00 C ATOM 1031 C LYS A 66 -12.627 -14.472 -37.211 1.00 5.00 C ATOM 1032 O LYS A 66 -13.681 -14.292 -36.606 1.00 13.00 O ATOM 1033 CB LYS A 66 -11.347 -16.446 -36.385 1.00 64.00 C ATOM 1034 CG LYS A 66 -11.294 -17.208 -37.718 1.00 4.00 C ATOM 1035 CD LYS A 66 -10.084 -16.834 -38.568 1.00 75.00 C ATOM 1036 CE LYS A 66 -10.092 -17.570 -39.913 1.00 0.00 C ATOM 1037 NZ LYS A 66 -9.982 -19.036 -39.756 1.00 24.00 N ATOM 0 H LYS A 66 -12.119 -14.874 -34.576 1.00 74.00 H new ATOM 0 HA LYS A 66 -10.485 -14.590 -36.980 1.00 32.00 H new ATOM 0 HB2 LYS A 66 -10.472 -16.724 -35.797 1.00 64.00 H new ATOM 0 HB3 LYS A 66 -12.223 -16.785 -35.832 1.00 64.00 H new ATOM 0 HG2 LYS A 66 -11.274 -18.279 -37.518 1.00 4.00 H new ATOM 0 HG3 LYS A 66 -12.204 -17.006 -38.282 1.00 4.00 H new ATOM 0 HD2 LYS A 66 -10.079 -15.758 -38.741 1.00 75.00 H new ATOM 0 HD3 LYS A 66 -9.169 -17.074 -38.026 1.00 75.00 H new ATOM 0 HE2 LYS A 66 -11.012 -17.333 -40.448 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.265 -17.210 -40.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.721 -19.464 -40.667 1.00 24.00 H new ATOM 0 HZ2 LYS A 66 -9.252 -19.256 -39.049 1.00 24.00 H new ATOM 0 HZ3 LYS A 66 -10.896 -19.421 -39.442 1.00 24.00 H new ATOM 1051 N ARG A 67 -12.474 -14.282 -38.460 1.00 40.00 N ATOM 1052 CA ARG A 67 -13.539 -13.944 -39.412 1.00 24.00 C ATOM 1053 C ARG A 67 -14.774 -14.855 -39.244 1.00 61.00 C ATOM 1054 O ARG A 67 -15.907 -14.451 -39.486 1.00 74.00 O ATOM 1055 CB ARG A 67 -12.983 -14.126 -40.816 1.00 23.00 C ATOM 1056 CG ARG A 67 -13.973 -13.874 -41.926 1.00 53.00 C ATOM 1057 CD ARG A 67 -13.360 -14.232 -43.240 1.00 1.00 C ATOM 1058 NE ARG A 67 -14.296 -14.084 -44.350 1.00 35.00 N ATOM 1059 CZ ARG A 67 -14.260 -14.785 -45.490 1.00 41.00 C ATOM 1060 NH1 ARG A 67 -13.354 -15.740 -45.659 1.00 40.00 N ATOM 1061 NH2 ARG A 67 -15.147 -14.539 -46.448 1.00 34.00 N ATOM 0 H ARG A 67 -11.560 -14.354 -38.907 1.00 40.00 H new ATOM 0 HA ARG A 67 -13.857 -12.917 -39.231 1.00 24.00 H new ATOM 0 HB2 ARG A 67 -12.134 -13.454 -40.946 1.00 23.00 H new ATOM 0 HB3 ARG A 67 -12.602 -15.143 -40.912 1.00 23.00 H new ATOM 0 HG2 ARG A 67 -14.875 -14.464 -41.762 1.00 53.00 H new ATOM 0 HG3 ARG A 67 -14.273 -12.826 -41.927 1.00 53.00 H new ATOM 0 HD2 ARG A 67 -12.489 -13.600 -43.416 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -13.004 -15.262 -43.203 1.00 1.00 H new ATOM 0 HE ARG A 67 -15.037 -13.391 -44.249 1.00 35.00 H new ATOM 0 HH11 ARG A 67 -12.682 -15.942 -44.919 1.00 40.00 H new ATOM 0 HH12 ARG A 67 -13.330 -16.272 -46.529 1.00 40.00 H new ATOM 0 HH21 ARG A 67 -15.855 -13.817 -46.315 1.00 34.00 H new ATOM 0 HH22 ARG A 67 -15.120 -15.073 -47.317 1.00 34.00 H new ATOM 1075 N ASP A 68 -14.533 -16.060 -38.805 1.00 13.00 N ATOM 1076 CA ASP A 68 -15.554 -17.062 -38.668 1.00 23.00 C ATOM 1077 C ASP A 68 -15.960 -17.215 -37.237 1.00 33.00 C ATOM 1078 O ASP A 68 -17.005 -17.801 -36.951 1.00 10.00 O ATOM 1079 CB ASP A 68 -15.060 -18.418 -39.181 1.00 70.00 C ATOM 1080 CG ASP A 68 -14.661 -18.412 -40.629 1.00 2.00 C ATOM 1081 OD1 ASP A 68 -15.537 -18.588 -41.500 1.00 41.00 O ATOM 1082 OD2 ASP A 68 -13.457 -18.251 -40.925 1.00 53.00 O ATOM 0 H ASP A 68 -13.605 -16.379 -38.527 1.00 13.00 H new ATOM 0 HA ASP A 68 -16.409 -16.736 -39.260 1.00 23.00 H new ATOM 0 HB2 ASP A 68 -14.207 -18.734 -38.580 1.00 70.00 H new ATOM 0 HB3 ASP A 68 -15.845 -19.159 -39.034 1.00 70.00 H new ATOM 1087 N ARG A 69 -15.163 -16.675 -36.328 1.00 60.00 N ATOM 1088 CA ARG A 69 -15.420 -16.857 -34.921 1.00 55.00 C ATOM 1089 C ARG A 69 -14.576 -15.947 -34.019 1.00 41.00 C ATOM 1090 O ARG A 69 -13.354 -16.071 -33.926 1.00 2.00 O ATOM 1091 CB ARG A 69 -15.260 -18.328 -34.478 1.00 33.00 C ATOM 1092 CG ARG A 69 -15.502 -18.553 -32.983 1.00 63.00 C ATOM 1093 CD ARG A 69 -16.947 -18.285 -32.586 1.00 53.00 C ATOM 1094 NE ARG A 69 -17.099 -18.233 -31.122 1.00 0.00 N ATOM 1095 CZ ARG A 69 -17.940 -18.985 -30.398 1.00 42.00 C ATOM 1096 NH1 ARG A 69 -18.718 -19.877 -30.995 1.00 55.00 N ATOM 1097 NH2 ARG A 69 -18.006 -18.832 -29.069 1.00 13.00 N ATOM 0 H ARG A 69 -14.340 -16.112 -36.544 1.00 60.00 H new ATOM 0 HA ARG A 69 -16.462 -16.565 -34.794 1.00 55.00 H new ATOM 0 HB2 ARG A 69 -15.955 -18.946 -35.046 1.00 33.00 H new ATOM 0 HB3 ARG A 69 -14.254 -18.666 -34.729 1.00 33.00 H new ATOM 0 HG2 ARG A 69 -15.241 -19.579 -32.725 1.00 63.00 H new ATOM 0 HG3 ARG A 69 -14.843 -17.902 -32.408 1.00 63.00 H new ATOM 0 HD2 ARG A 69 -17.277 -17.342 -33.022 1.00 53.00 H new ATOM 0 HD3 ARG A 69 -17.589 -19.066 -32.993 1.00 53.00 H new ATOM 0 HE ARG A 69 -16.514 -17.568 -30.616 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -18.678 -19.992 -32.008 1.00 55.00 H new ATOM 0 HH12 ARG A 69 -19.357 -20.448 -30.442 1.00 55.00 H new ATOM 0 HH21 ARG A 69 -17.415 -18.142 -28.605 1.00 13.00 H new ATOM 0 HH22 ARG A 69 -18.647 -19.406 -28.521 1.00 13.00 H new ATOM 1111 N ILE A 70 -15.244 -15.041 -33.405 1.00 11.00 N ATOM 1112 CA ILE A 70 -14.750 -14.226 -32.370 1.00 41.00 C ATOM 1113 C ILE A 70 -15.129 -14.938 -31.126 1.00 73.00 C ATOM 1114 O ILE A 70 -16.243 -15.471 -30.999 1.00 13.00 O ATOM 1115 CB ILE A 70 -15.411 -12.812 -32.314 1.00 21.00 C ATOM 1116 CG1 ILE A 70 -15.275 -12.044 -33.615 1.00 34.00 C ATOM 1117 CG2 ILE A 70 -14.842 -11.970 -31.166 1.00 43.00 C ATOM 1118 CD1 ILE A 70 -16.153 -12.476 -34.771 1.00 0.00 C ATOM 0 H ILE A 70 -16.218 -14.840 -33.632 1.00 11.00 H new ATOM 0 HA ILE A 70 -13.682 -14.066 -32.514 1.00 41.00 H new ATOM 0 HB ILE A 70 -16.472 -12.992 -32.140 1.00 21.00 H new ATOM 0 HG12 ILE A 70 -15.480 -10.993 -33.410 1.00 34.00 H new ATOM 0 HG13 ILE A 70 -14.236 -12.109 -33.938 1.00 34.00 H new ATOM 0 HG21 ILE A 70 -15.325 -10.993 -31.157 1.00 43.00 H new ATOM 0 HG22 ILE A 70 -15.028 -12.475 -30.218 1.00 43.00 H new ATOM 0 HG23 ILE A 70 -13.768 -11.843 -31.305 1.00 43.00 H new ATOM 0 HD11 ILE A 70 -15.953 -11.843 -35.636 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.938 -13.514 -35.023 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -17.201 -12.382 -34.487 1.00 0.00 H new ATOM 1130 N VAL A 71 -14.245 -14.999 -30.268 1.00 34.00 N ATOM 1131 CA VAL A 71 -14.455 -15.684 -29.040 1.00 30.00 C ATOM 1132 C VAL A 71 -14.026 -14.843 -27.849 1.00 62.00 C ATOM 1133 O VAL A 71 -14.427 -15.093 -26.719 1.00 43.00 O ATOM 1134 CB VAL A 71 -13.893 -17.152 -29.123 1.00 4.00 C ATOM 1135 CG1 VAL A 71 -12.568 -17.188 -29.822 1.00 23.00 C ATOM 1136 CG2 VAL A 71 -13.835 -17.869 -27.780 1.00 23.00 C ATOM 0 H VAL A 71 -13.322 -14.577 -30.366 1.00 34.00 H new ATOM 0 HA VAL A 71 -15.521 -15.823 -28.860 1.00 30.00 H new ATOM 0 HB VAL A 71 -14.614 -17.711 -29.720 1.00 4.00 H new ATOM 0 HG11 VAL A 71 -12.206 -18.215 -29.863 1.00 23.00 H new ATOM 0 HG12 VAL A 71 -12.680 -16.802 -30.835 1.00 23.00 H new ATOM 0 HG13 VAL A 71 -11.852 -16.573 -29.277 1.00 23.00 H new ATOM 0 HG21 VAL A 71 -13.437 -18.874 -27.921 1.00 23.00 H new ATOM 0 HG22 VAL A 71 -13.189 -17.315 -27.099 1.00 23.00 H new ATOM 0 HG23 VAL A 71 -14.838 -17.932 -27.357 1.00 23.00 H new ATOM 1146 N LEU A 72 -13.274 -13.790 -28.125 1.00 3.00 N ATOM 1147 CA LEU A 72 -12.892 -12.827 -27.102 1.00 74.00 C ATOM 1148 C LEU A 72 -12.812 -11.461 -27.703 1.00 71.00 C ATOM 1149 O LEU A 72 -12.162 -11.266 -28.721 1.00 51.00 O ATOM 1150 CB LEU A 72 -11.536 -13.105 -26.401 1.00 75.00 C ATOM 1151 CG LEU A 72 -11.438 -14.215 -25.344 1.00 63.00 C ATOM 1152 CD1 LEU A 72 -11.438 -15.603 -25.944 1.00 64.00 C ATOM 1153 CD2 LEU A 72 -10.204 -14.019 -24.538 1.00 64.00 C ATOM 0 H LEU A 72 -12.913 -13.579 -29.055 1.00 3.00 H new ATOM 0 HA LEU A 72 -13.667 -12.913 -26.341 1.00 74.00 H new ATOM 0 HB2 LEU A 72 -10.808 -13.332 -27.180 1.00 75.00 H new ATOM 0 HB3 LEU A 72 -11.218 -12.176 -25.928 1.00 75.00 H new ATOM 0 HG LEU A 72 -12.325 -14.142 -24.715 1.00 63.00 H new ATOM 0 HD11 LEU A 72 -11.367 -16.344 -25.148 1.00 64.00 H new ATOM 0 HD12 LEU A 72 -12.361 -15.758 -26.502 1.00 64.00 H new ATOM 0 HD13 LEU A 72 -10.586 -15.709 -26.615 1.00 64.00 H new ATOM 0 HD21 LEU A 72 -10.131 -14.805 -23.787 1.00 64.00 H new ATOM 0 HD22 LEU A 72 -9.332 -14.060 -25.191 1.00 64.00 H new ATOM 0 HD23 LEU A 72 -10.242 -13.048 -24.044 1.00 64.00 H new ATOM 1165 N ASN A 73 -13.479 -10.535 -27.114 1.00 62.00 N ATOM 1166 CA ASN A 73 -13.364 -9.144 -27.510 1.00 20.00 C ATOM 1167 C ASN A 73 -13.389 -8.309 -26.255 1.00 63.00 C ATOM 1168 O ASN A 73 -13.653 -7.106 -26.270 1.00 5.00 O ATOM 1169 CB ASN A 73 -14.480 -8.732 -28.497 1.00 54.00 C ATOM 1170 CG ASN A 73 -15.885 -8.652 -27.897 1.00 12.00 C ATOM 1171 OD1 ASN A 73 -16.229 -9.360 -26.946 1.00 0.00 O ATOM 1172 ND2 ASN A 73 -16.700 -7.804 -28.458 1.00 45.00 N ATOM 0 H ASN A 73 -14.125 -10.701 -26.342 1.00 62.00 H new ATOM 0 HA ASN A 73 -12.427 -8.986 -28.045 1.00 20.00 H new ATOM 0 HB2 ASN A 73 -14.227 -7.760 -28.920 1.00 54.00 H new ATOM 0 HB3 ASN A 73 -14.495 -9.445 -29.322 1.00 54.00 H new ATOM 0 HD21 ASN A 73 -17.655 -7.710 -28.113 1.00 45.00 H new ATOM 0 HD22 ASN A 73 -16.383 -7.234 -29.242 1.00 45.00 H new ATOM 1179 N ASN A 74 -13.024 -8.962 -25.176 1.00 70.00 N ATOM 1180 CA ASN A 74 -13.053 -8.393 -23.875 1.00 51.00 C ATOM 1181 C ASN A 74 -12.032 -9.063 -23.002 1.00 72.00 C ATOM 1182 O ASN A 74 -12.281 -10.107 -22.418 1.00 14.00 O ATOM 1183 CB ASN A 74 -14.448 -8.476 -23.240 1.00 23.00 C ATOM 1184 CG ASN A 74 -14.463 -7.989 -21.801 1.00 12.00 C ATOM 1185 OD1 ASN A 74 -14.287 -8.764 -20.867 1.00 64.00 O ATOM 1186 ND2 ASN A 74 -14.626 -6.717 -21.613 1.00 14.00 N ATOM 0 H ASN A 74 -12.693 -9.927 -25.194 1.00 70.00 H new ATOM 0 HA ASN A 74 -12.808 -7.335 -23.968 1.00 51.00 H new ATOM 0 HB2 ASN A 74 -15.147 -7.882 -23.828 1.00 23.00 H new ATOM 0 HB3 ASN A 74 -14.798 -9.508 -23.275 1.00 23.00 H new ATOM 0 HD21 ASN A 74 -14.610 -6.335 -20.667 1.00 14.00 H new ATOM 0 HD22 ASN A 74 -14.770 -6.098 -22.411 1.00 14.00 H new ATOM 1193 N CYS A 75 -10.859 -8.542 -23.070 1.00 2.00 N ATOM 1194 CA CYS A 75 -9.780 -8.880 -22.192 1.00 63.00 C ATOM 1195 C CYS A 75 -8.900 -7.694 -22.056 1.00 32.00 C ATOM 1196 O CYS A 75 -8.399 -7.175 -23.057 1.00 52.00 O ATOM 1197 CB CYS A 75 -8.979 -10.103 -22.648 1.00 44.00 C ATOM 1198 SG CYS A 75 -9.641 -11.696 -22.066 1.00 32.00 S ATOM 0 H CYS A 75 -10.608 -7.839 -23.765 1.00 2.00 H new ATOM 0 HA CYS A 75 -10.206 -9.159 -21.228 1.00 63.00 H new ATOM 0 HB2 CYS A 75 -8.945 -10.114 -23.737 1.00 44.00 H new ATOM 0 HB3 CYS A 75 -7.952 -10.001 -22.298 1.00 44.00 H new ATOM 1203 N GLN A 76 -8.737 -7.248 -20.842 1.00 60.00 N ATOM 1204 CA GLN A 76 -7.953 -6.121 -20.524 1.00 50.00 C ATOM 1205 C GLN A 76 -7.076 -6.531 -19.415 1.00 53.00 C ATOM 1206 O GLN A 76 -7.500 -6.726 -18.268 1.00 52.00 O ATOM 1207 CB GLN A 76 -8.794 -4.878 -20.225 1.00 60.00 C ATOM 1208 CG GLN A 76 -9.454 -4.318 -21.481 1.00 21.00 C ATOM 1209 CD GLN A 76 -10.256 -3.051 -21.249 1.00 21.00 C ATOM 1210 OE1 GLN A 76 -9.728 -1.933 -21.328 1.00 5.00 O ATOM 1211 NE2 GLN A 76 -11.526 -3.193 -20.980 1.00 53.00 N ATOM 0 H GLN A 76 -9.168 -7.686 -20.028 1.00 60.00 H new ATOM 0 HA GLN A 76 -7.351 -5.807 -21.377 1.00 50.00 H new ATOM 0 HB2 GLN A 76 -9.562 -5.128 -19.493 1.00 60.00 H new ATOM 0 HB3 GLN A 76 -8.162 -4.112 -19.776 1.00 60.00 H new ATOM 0 HG2 GLN A 76 -8.683 -4.116 -22.224 1.00 21.00 H new ATOM 0 HG3 GLN A 76 -10.111 -5.079 -21.903 1.00 21.00 H new ATOM 0 HE21 GLN A 76 -11.934 -4.126 -20.921 1.00 53.00 H new ATOM 0 HE22 GLN A 76 -12.110 -2.371 -20.829 1.00 53.00 H new ATOM 1220 N LEU A 77 -5.883 -6.741 -19.790 1.00 24.00 N ATOM 1221 CA LEU A 77 -4.893 -7.350 -18.985 1.00 53.00 C ATOM 1222 C LEU A 77 -4.364 -6.371 -17.937 1.00 51.00 C ATOM 1223 O LEU A 77 -4.205 -5.190 -18.229 1.00 45.00 O ATOM 1224 CB LEU A 77 -3.796 -7.948 -19.940 1.00 71.00 C ATOM 1225 CG LEU A 77 -2.424 -8.424 -19.390 1.00 25.00 C ATOM 1226 CD1 LEU A 77 -1.514 -7.262 -19.060 1.00 42.00 C ATOM 1227 CD2 LEU A 77 -2.590 -9.342 -18.197 1.00 41.00 C ATOM 0 H LEU A 77 -5.544 -6.481 -20.716 1.00 24.00 H new ATOM 0 HA LEU A 77 -5.302 -8.173 -18.400 1.00 53.00 H new ATOM 0 HB2 LEU A 77 -4.247 -8.799 -20.450 1.00 71.00 H new ATOM 0 HB3 LEU A 77 -3.590 -7.194 -20.700 1.00 71.00 H new ATOM 0 HG LEU A 77 -1.946 -8.996 -20.185 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -0.565 -7.640 -18.679 1.00 42.00 H new ATOM 0 HD12 LEU A 77 -1.335 -6.673 -19.960 1.00 42.00 H new ATOM 0 HD13 LEU A 77 -1.985 -6.634 -18.304 1.00 42.00 H new ATOM 0 HD21 LEU A 77 -1.609 -9.655 -17.839 1.00 41.00 H new ATOM 0 HD22 LEU A 77 -3.115 -8.813 -17.401 1.00 41.00 H new ATOM 0 HD23 LEU A 77 -3.166 -10.220 -18.491 1.00 41.00 H new ATOM 1239 N GLN A 78 -4.131 -6.840 -16.713 1.00 52.00 N ATOM 1240 CA GLN A 78 -3.574 -5.956 -15.694 1.00 40.00 C ATOM 1241 C GLN A 78 -2.069 -6.197 -15.512 1.00 73.00 C ATOM 1242 O GLN A 78 -1.288 -5.242 -15.453 1.00 34.00 O ATOM 1243 CB GLN A 78 -4.332 -6.064 -14.361 1.00 50.00 C ATOM 1244 CG GLN A 78 -5.830 -5.748 -14.470 1.00 62.00 C ATOM 1245 CD GLN A 78 -6.130 -4.332 -14.933 1.00 1.00 C ATOM 1246 OE1 GLN A 78 -6.268 -3.410 -14.124 1.00 55.00 O ATOM 1247 NE2 GLN A 78 -6.241 -4.141 -16.221 1.00 13.00 N ATOM 0 H GLN A 78 -4.313 -7.797 -16.409 1.00 52.00 H new ATOM 0 HA GLN A 78 -3.704 -4.933 -16.047 1.00 40.00 H new ATOM 0 HB2 GLN A 78 -4.211 -7.073 -13.966 1.00 50.00 H new ATOM 0 HB3 GLN A 78 -3.879 -5.383 -13.640 1.00 50.00 H new ATOM 0 HG2 GLN A 78 -6.290 -6.452 -15.164 1.00 62.00 H new ATOM 0 HG3 GLN A 78 -6.296 -5.908 -13.498 1.00 62.00 H new ATOM 0 HE21 GLN A 78 -6.122 -4.923 -16.865 1.00 13.00 H new ATOM 0 HE22 GLN A 78 -6.447 -3.210 -16.583 1.00 13.00 H new ATOM 1256 N ASN A 79 -1.652 -7.463 -15.455 1.00 60.00 N ATOM 1257 CA ASN A 79 -0.241 -7.821 -15.321 1.00 42.00 C ATOM 1258 C ASN A 79 -0.162 -9.309 -15.530 1.00 3.00 C ATOM 1259 O ASN A 79 -0.789 -10.052 -14.804 1.00 34.00 O ATOM 1260 CB ASN A 79 0.318 -7.421 -13.929 1.00 11.00 C ATOM 1261 CG ASN A 79 1.829 -7.643 -13.772 1.00 33.00 C ATOM 1262 OD1 ASN A 79 2.414 -8.557 -14.340 1.00 41.00 O ATOM 1263 ND2 ASN A 79 2.467 -6.787 -13.015 1.00 5.00 N ATOM 0 H ASN A 79 -2.281 -8.265 -15.500 1.00 60.00 H new ATOM 0 HA ASN A 79 0.366 -7.287 -16.052 1.00 42.00 H new ATOM 0 HB2 ASN A 79 0.096 -6.369 -13.749 1.00 11.00 H new ATOM 0 HB3 ASN A 79 -0.204 -7.993 -13.162 1.00 11.00 H new ATOM 0 HD21 ASN A 79 3.475 -6.872 -12.887 1.00 5.00 H new ATOM 0 HD22 ASN A 79 1.956 -6.035 -12.553 1.00 5.00 H new ATOM 1270 N PRO A 80 0.574 -9.770 -16.530 1.00 62.00 N ATOM 1271 CA PRO A 80 0.572 -11.171 -16.906 1.00 1.00 C ATOM 1272 C PRO A 80 1.579 -12.060 -16.129 1.00 22.00 C ATOM 1273 O PRO A 80 1.685 -13.272 -16.373 1.00 44.00 O ATOM 1274 CB PRO A 80 0.962 -11.101 -18.382 1.00 54.00 C ATOM 1275 CG PRO A 80 1.864 -9.923 -18.484 1.00 43.00 C ATOM 1276 CD PRO A 80 1.471 -8.975 -17.393 1.00 2.00 C ATOM 0 HA PRO A 80 -0.389 -11.637 -16.687 1.00 1.00 H new ATOM 0 HB2 PRO A 80 1.466 -12.013 -18.701 1.00 54.00 H new ATOM 0 HB3 PRO A 80 0.084 -10.983 -19.017 1.00 54.00 H new ATOM 0 HG2 PRO A 80 2.906 -10.225 -18.376 1.00 43.00 H new ATOM 0 HG3 PRO A 80 1.769 -9.448 -19.460 1.00 43.00 H new ATOM 0 HD2 PRO A 80 2.341 -8.619 -16.842 1.00 2.00 H new ATOM 0 HD3 PRO A 80 0.964 -8.096 -17.792 1.00 2.00 H new ATOM 1284 N GLN A 81 2.279 -11.483 -15.193 1.00 43.00 N ATOM 1285 CA GLN A 81 3.351 -12.155 -14.531 1.00 31.00 C ATOM 1286 C GLN A 81 2.903 -13.140 -13.437 1.00 32.00 C ATOM 1287 O GLN A 81 3.653 -14.041 -13.049 1.00 71.00 O ATOM 1288 CB GLN A 81 4.323 -11.108 -14.023 1.00 71.00 C ATOM 1289 CG GLN A 81 5.475 -11.628 -13.248 1.00 74.00 C ATOM 1290 CD GLN A 81 6.344 -10.518 -12.749 1.00 71.00 C ATOM 1291 OE1 GLN A 81 7.304 -10.111 -13.406 1.00 14.00 O ATOM 1292 NE2 GLN A 81 5.981 -9.970 -11.621 1.00 11.00 N ATOM 0 H GLN A 81 2.118 -10.529 -14.870 1.00 43.00 H new ATOM 0 HA GLN A 81 3.848 -12.802 -15.254 1.00 31.00 H new ATOM 0 HB2 GLN A 81 4.705 -10.548 -14.876 1.00 71.00 H new ATOM 0 HB3 GLN A 81 3.776 -10.403 -13.398 1.00 71.00 H new ATOM 0 HG2 GLN A 81 5.112 -12.215 -12.404 1.00 74.00 H new ATOM 0 HG3 GLN A 81 6.063 -12.299 -13.874 1.00 74.00 H new ATOM 0 HE21 GLN A 81 5.180 -10.339 -11.109 1.00 11.00 H new ATOM 0 HE22 GLN A 81 6.499 -9.173 -11.251 1.00 11.00 H new ATOM 1301 N ARG A 82 1.716 -13.002 -12.968 1.00 71.00 N ATOM 1302 CA ARG A 82 1.249 -13.861 -11.889 1.00 13.00 C ATOM 1303 C ARG A 82 -0.077 -14.513 -12.218 1.00 71.00 C ATOM 1304 O ARG A 82 -1.137 -13.876 -12.064 1.00 41.00 O ATOM 1305 CB ARG A 82 1.220 -13.115 -10.549 1.00 72.00 C ATOM 1306 CG ARG A 82 2.601 -12.643 -10.108 1.00 72.00 C ATOM 1307 CD ARG A 82 2.542 -11.784 -8.867 1.00 70.00 C ATOM 1308 NE ARG A 82 3.878 -11.300 -8.473 1.00 50.00 N ATOM 1309 CZ ARG A 82 4.169 -10.035 -8.123 1.00 72.00 C ATOM 1310 NH1 ARG A 82 3.247 -9.081 -8.226 1.00 53.00 N ATOM 1311 NH2 ARG A 82 5.394 -9.728 -7.706 1.00 70.00 N ATOM 1312 OXT ARG A 82 -0.062 -15.676 -12.641 1.00 60.00 O ATOM 0 H ARG A 82 1.039 -12.314 -13.297 1.00 71.00 H new ATOM 0 HA ARG A 82 1.970 -14.672 -11.783 1.00 13.00 H new ATOM 0 HB2 ARG A 82 0.556 -12.255 -10.631 1.00 72.00 H new ATOM 0 HB3 ARG A 82 0.802 -13.768 -9.783 1.00 72.00 H new ATOM 0 HG2 ARG A 82 3.235 -13.509 -9.918 1.00 72.00 H new ATOM 0 HG3 ARG A 82 3.065 -12.079 -10.917 1.00 72.00 H new ATOM 0 HD2 ARG A 82 1.885 -10.933 -9.045 1.00 70.00 H new ATOM 0 HD3 ARG A 82 2.107 -12.357 -8.048 1.00 70.00 H new ATOM 0 HE ARG A 82 4.640 -11.977 -8.465 1.00 50.00 H new ATOM 0 HH11 ARG A 82 2.315 -9.308 -8.572 1.00 53.00 H new ATOM 0 HH12 ARG A 82 3.473 -8.123 -7.959 1.00 53.00 H new ATOM 0 HH21 ARG A 82 6.111 -10.452 -7.652 1.00 70.00 H new ATOM 0 HH22 ARG A 82 5.617 -8.769 -7.440 1.00 70.00 H new TER 1326 ARG A 82