USER MOD reduce.3.24.130724 H: found=0, std=0, add=1233, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1227 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 89 TYR OH : rot 51:sc= 1.24 USER MOD Set 1.2: A 124 SER OG : rot -76:sc= 0.556 USER MOD Set 2.1: A 99 ASN : amide:sc= -0.133 K(o=0.19,f=-0.77) USER MOD Set 2.2: A 101 TYR OH : rot -154:sc= 0.318 USER MOD Single : A 1 ALA N :NH3+ 137:sc= 0.14 (180deg=-0.668) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.402 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 21 ASN : amide:sc= -0.665 K(o=-0.67,f=-3.5!) USER MOD Single : A 24 ASN : amide:sc= 0.313 K(o=0.31,f=-4.5!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0811 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 34 CYS SG : rot 50:sc= -0.137 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 50:sc= -0.21 USER MOD Single : A 48 GLN : amide:sc= -0.0405 K(o=-0.041,f=-1.3) USER MOD Single : A 54 LYS NZ :NH3+ -103:sc= 0.768 (180deg=-0.467) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 146:sc= -0.0872 (180deg=-0.573) USER MOD Single : A 64 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.785 K(o=-0.78,f=-0.24) USER MOD Single : A 72 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.2!) USER MOD Single : A 74 ASN : amide:sc= -0.029 K(o=-0.029,f=-1.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 140:sc= 0.82 (180deg=-0.583!) USER MOD Single : A 84 GLN : amide:sc= -0.547 K(o=-0.55,f=-0.011) USER MOD Single : A 91 SER OG : rot 72:sc= 0.524 USER MOD Single : A 94 LYS NZ :NH3+ -144:sc= 1.08 (180deg=-0.0907) USER MOD Single : A 97 ASN : amide:sc= -0.0562 K(o=-0.056,f=-1) USER MOD Single : A 100 ASN : amide:sc= -0.0461 K(o=-0.046,f=-1.6!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 90:sc= 0.746 USER MOD Single : A 110 SER OG : rot -150:sc= 0 USER MOD Single : A 111 THR OG1 : rot -72:sc= 0.723 USER MOD Single : A 115 SER OG : rot 167:sc= 0.835 USER MOD Single : A 117 ASN : amide:sc= 0.392 K(o=0.39,f=-4.5!) USER MOD Single : A 118 LYS NZ :NH3+ -175:sc=-0.00414 (180deg=-0.0779) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 123 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.3!) USER MOD Single : A 126 ASN : amide:sc= 0.53 K(o=0.53,f=-4.4!) USER MOD Single : A 127 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 130 THR OG1 : rot 77:sc= 0.915 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot -39:sc= 0.748 USER MOD Single : A 142 TYR OH : rot 180:sc=-0.00148 USER MOD Single : A 143 CYS SG : rot 180:sc= 0.00277 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot 79:sc= 0.744 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.615 -11.577 9.597 1.00 2.47 N ATOM 2 CA ALA A 1 -11.693 -11.313 8.482 1.00 2.50 C ATOM 3 C ALA A 1 -12.401 -10.444 7.453 1.00 2.05 C ATOM 4 O ALA A 1 -13.627 -10.496 7.383 1.00 1.95 O ATOM 5 CB ALA A 1 -11.215 -12.614 7.841 1.00 3.33 C ATOM 0 H1 ALA A 1 -12.547 -12.577 9.875 1.00 2.47 H new ATOM 0 H2 ALA A 1 -12.362 -10.975 10.406 1.00 2.47 H new ATOM 0 H3 ALA A 1 -13.589 -11.366 9.299 1.00 2.47 H new ATOM 0 HA ALA A 1 -10.814 -10.794 8.863 1.00 2.50 H new ATOM 0 HB1 ALA A 1 -10.535 -12.387 7.020 1.00 3.33 H new ATOM 0 HB2 ALA A 1 -10.696 -13.217 8.586 1.00 3.33 H new ATOM 0 HB3 ALA A 1 -12.073 -13.168 7.459 1.00 3.33 H new ATOM 11 N PRO A 2 -11.669 -9.617 6.701 1.00 2.86 N ATOM 12 CA PRO A 2 -12.243 -8.732 5.708 1.00 3.30 C ATOM 13 C PRO A 2 -12.793 -9.538 4.534 1.00 2.60 C ATOM 14 O PRO A 2 -12.153 -10.494 4.098 1.00 3.31 O ATOM 15 CB PRO A 2 -11.102 -7.821 5.239 1.00 4.82 C ATOM 16 CG PRO A 2 -9.931 -8.120 6.167 1.00 5.19 C ATOM 17 CD PRO A 2 -10.232 -9.490 6.752 1.00 4.10 C ATOM 0 HA PRO A 2 -13.070 -8.154 6.121 1.00 3.30 H new ATOM 0 HB2 PRO A 2 -10.841 -8.023 4.200 1.00 4.82 H new ATOM 0 HB3 PRO A 2 -11.390 -6.771 5.297 1.00 4.82 H new ATOM 0 HG2 PRO A 2 -8.987 -8.122 5.623 1.00 5.19 H new ATOM 0 HG3 PRO A 2 -9.846 -7.367 6.950 1.00 5.19 H new ATOM 0 HD2 PRO A 2 -9.747 -10.279 6.177 1.00 4.10 H new ATOM 0 HD3 PRO A 2 -9.866 -9.570 7.776 1.00 4.10 H new ATOM 25 N SER A 3 -13.939 -9.133 3.981 1.00 1.52 N ATOM 26 CA SER A 3 -14.326 -9.629 2.666 1.00 1.24 C ATOM 27 C SER A 3 -13.376 -9.034 1.623 1.00 0.97 C ATOM 28 O SER A 3 -12.739 -8.016 1.891 1.00 0.95 O ATOM 29 CB SER A 3 -15.777 -9.252 2.370 1.00 1.62 C ATOM 30 OG SER A 3 -16.291 -10.122 1.382 1.00 1.98 O ATOM 0 H SER A 3 -14.596 -8.482 4.411 1.00 1.52 H new ATOM 0 HA SER A 3 -14.255 -10.716 2.636 1.00 1.24 H new ATOM 0 HB2 SER A 3 -16.375 -9.320 3.278 1.00 1.62 H new ATOM 0 HB3 SER A 3 -15.834 -8.219 2.027 1.00 1.62 H new ATOM 0 HG SER A 3 -17.222 -9.885 1.190 1.00 1.98 H new ATOM 36 N TYR A 4 -13.258 -9.653 0.445 1.00 1.08 N ATOM 37 CA TYR A 4 -12.329 -9.202 -0.578 1.00 1.06 C ATOM 38 C TYR A 4 -13.135 -8.561 -1.699 1.00 0.99 C ATOM 39 O TYR A 4 -14.099 -9.159 -2.179 1.00 1.10 O ATOM 40 CB TYR A 4 -11.530 -10.386 -1.141 1.00 1.25 C ATOM 41 CG TYR A 4 -11.224 -11.516 -0.175 1.00 1.38 C ATOM 42 CD1 TYR A 4 -12.164 -12.547 0.019 1.00 2.02 C ATOM 43 CD2 TYR A 4 -9.992 -11.559 0.503 1.00 2.20 C ATOM 44 CE1 TYR A 4 -11.889 -13.605 0.900 1.00 2.19 C ATOM 45 CE2 TYR A 4 -9.713 -12.613 1.393 1.00 2.50 C ATOM 46 CZ TYR A 4 -10.668 -13.633 1.606 1.00 2.00 C ATOM 47 OH TYR A 4 -10.414 -14.642 2.486 1.00 2.39 O ATOM 0 H TYR A 4 -13.802 -10.474 0.181 1.00 1.08 H new ATOM 0 HA TYR A 4 -11.628 -8.488 -0.146 1.00 1.06 H new ATOM 0 HB2 TYR A 4 -12.081 -10.799 -1.986 1.00 1.25 H new ATOM 0 HB3 TYR A 4 -10.586 -10.006 -1.532 1.00 1.25 H new ATOM 0 HD1 TYR A 4 -13.103 -12.523 -0.514 1.00 2.02 H new ATOM 0 HD2 TYR A 4 -9.259 -10.782 0.340 1.00 2.20 H new ATOM 0 HE1 TYR A 4 -12.611 -14.396 1.037 1.00 2.19 H new ATOM 0 HE2 TYR A 4 -8.768 -12.642 1.914 1.00 2.50 H new ATOM 0 HH TYR A 4 -9.529 -14.512 2.886 1.00 2.39 H new ATOM 57 N HIS A 5 -12.723 -7.388 -2.169 1.00 0.96 N ATOM 58 CA HIS A 5 -13.365 -6.740 -3.300 1.00 0.97 C ATOM 59 C HIS A 5 -12.264 -6.069 -4.111 1.00 0.91 C ATOM 60 O HIS A 5 -11.363 -5.491 -3.521 1.00 1.14 O ATOM 61 CB HIS A 5 -14.384 -5.718 -2.775 1.00 1.05 C ATOM 62 CG HIS A 5 -15.549 -5.481 -3.703 1.00 1.19 C ATOM 63 ND1 HIS A 5 -16.870 -5.688 -3.377 1.00 1.59 N ATOM 64 CD2 HIS A 5 -15.506 -5.025 -4.995 1.00 1.03 C ATOM 65 CE1 HIS A 5 -17.607 -5.371 -4.456 1.00 1.63 C ATOM 66 NE2 HIS A 5 -16.822 -4.973 -5.469 1.00 1.29 N ATOM 0 H HIS A 5 -11.940 -6.865 -1.778 1.00 0.96 H new ATOM 0 HA HIS A 5 -13.903 -7.448 -3.931 1.00 0.97 H new ATOM 0 HB2 HIS A 5 -14.763 -6.060 -1.812 1.00 1.05 H new ATOM 0 HB3 HIS A 5 -13.875 -4.771 -2.598 1.00 1.05 H new ATOM 0 HD2 HIS A 5 -14.618 -4.755 -5.547 1.00 1.03 H new ATOM 0 HE1 HIS A 5 -18.684 -5.429 -4.501 1.00 1.63 H new ATOM 0 HE2 HIS A 5 -17.125 -4.689 -6.401 1.00 1.29 H new ATOM 74 N VAL A 6 -12.300 -6.117 -5.441 1.00 0.67 N ATOM 75 CA VAL A 6 -11.337 -5.394 -6.260 1.00 0.57 C ATOM 76 C VAL A 6 -12.082 -4.415 -7.156 1.00 0.64 C ATOM 77 O VAL A 6 -13.199 -4.707 -7.581 1.00 0.74 O ATOM 78 CB VAL A 6 -10.457 -6.393 -7.019 1.00 0.61 C ATOM 79 CG1 VAL A 6 -11.259 -7.327 -7.933 1.00 2.02 C ATOM 80 CG2 VAL A 6 -9.379 -5.668 -7.832 1.00 2.03 C ATOM 0 H VAL A 6 -12.988 -6.651 -5.973 1.00 0.67 H new ATOM 0 HA VAL A 6 -10.659 -4.800 -5.647 1.00 0.57 H new ATOM 0 HB VAL A 6 -9.983 -7.014 -6.259 1.00 0.61 H new ATOM 0 HG11 VAL A 6 -10.579 -8.010 -8.442 1.00 2.02 H new ATOM 0 HG12 VAL A 6 -11.969 -7.900 -7.336 1.00 2.02 H new ATOM 0 HG13 VAL A 6 -11.800 -6.736 -8.672 1.00 2.02 H new ATOM 0 HG21 VAL A 6 -8.768 -6.400 -8.361 1.00 2.03 H new ATOM 0 HG22 VAL A 6 -9.853 -5.002 -8.553 1.00 2.03 H new ATOM 0 HG23 VAL A 6 -8.747 -5.086 -7.161 1.00 2.03 H new ATOM 90 N VAL A 7 -11.488 -3.251 -7.431 1.00 0.64 N ATOM 91 CA VAL A 7 -12.127 -2.210 -8.212 1.00 0.76 C ATOM 92 C VAL A 7 -11.111 -1.655 -9.203 1.00 0.77 C ATOM 93 O VAL A 7 -9.912 -1.581 -8.931 1.00 0.86 O ATOM 94 CB VAL A 7 -12.737 -1.154 -7.267 1.00 0.91 C ATOM 95 CG1 VAL A 7 -11.689 -0.392 -6.449 1.00 1.99 C ATOM 96 CG2 VAL A 7 -13.601 -0.149 -8.037 1.00 2.03 C ATOM 0 H VAL A 7 -10.549 -3.012 -7.114 1.00 0.64 H new ATOM 0 HA VAL A 7 -12.960 -2.597 -8.798 1.00 0.76 H new ATOM 0 HB VAL A 7 -13.357 -1.717 -6.569 1.00 0.91 H new ATOM 0 HG11 VAL A 7 -12.187 0.334 -5.806 1.00 1.99 H new ATOM 0 HG12 VAL A 7 -11.126 -1.094 -5.835 1.00 1.99 H new ATOM 0 HG13 VAL A 7 -11.008 0.127 -7.123 1.00 1.99 H new ATOM 0 HG21 VAL A 7 -14.016 0.581 -7.342 1.00 2.03 H new ATOM 0 HG22 VAL A 7 -12.989 0.363 -8.779 1.00 2.03 H new ATOM 0 HG23 VAL A 7 -14.413 -0.676 -8.538 1.00 2.03 H new ATOM 106 N ARG A 8 -11.586 -1.269 -10.382 1.00 0.86 N ATOM 107 CA ARG A 8 -10.758 -0.588 -11.358 1.00 1.01 C ATOM 108 C ARG A 8 -10.857 0.905 -11.092 1.00 1.14 C ATOM 109 O ARG A 8 -11.884 1.528 -11.344 1.00 1.56 O ATOM 110 CB ARG A 8 -11.182 -0.952 -12.781 1.00 1.28 C ATOM 111 CG ARG A 8 -12.673 -0.712 -13.053 1.00 2.65 C ATOM 112 CD ARG A 8 -13.322 -2.028 -13.481 1.00 2.99 C ATOM 113 NE ARG A 8 -14.786 -1.943 -13.504 1.00 4.05 N ATOM 114 CZ ARG A 8 -15.581 -3.020 -13.525 1.00 4.87 C ATOM 115 NH1 ARG A 8 -16.906 -2.867 -13.470 1.00 5.94 N ATOM 116 NH2 ARG A 8 -15.054 -4.241 -13.598 1.00 5.30 N ATOM 0 H ARG A 8 -12.549 -1.420 -10.682 1.00 0.86 H new ATOM 0 HA ARG A 8 -9.718 -0.901 -11.264 1.00 1.01 H new ATOM 0 HB2 ARG A 8 -10.593 -0.368 -13.488 1.00 1.28 H new ATOM 0 HB3 ARG A 8 -10.951 -2.002 -12.964 1.00 1.28 H new ATOM 0 HG2 ARG A 8 -13.161 -0.326 -12.158 1.00 2.65 H new ATOM 0 HG3 ARG A 8 -12.797 0.039 -13.833 1.00 2.65 H new ATOM 0 HD2 ARG A 8 -12.960 -2.304 -14.472 1.00 2.99 H new ATOM 0 HD3 ARG A 8 -13.017 -2.821 -12.798 1.00 2.99 H new ATOM 0 HE ARG A 8 -15.219 -1.019 -13.504 1.00 4.05 H new ATOM 0 HH11 ARG A 8 -17.309 -1.932 -13.412 1.00 5.94 H new ATOM 0 HH12 ARG A 8 -17.515 -3.685 -13.486 1.00 5.94 H new ATOM 0 HH21 ARG A 8 -14.042 -4.358 -13.638 1.00 5.30 H new ATOM 0 HH22 ARG A 8 -15.663 -5.059 -13.614 1.00 5.30 H new ATOM 130 N GLY A 9 -9.781 1.466 -10.569 1.00 0.92 N ATOM 131 CA GLY A 9 -9.599 2.881 -10.375 1.00 1.01 C ATOM 132 C GLY A 9 -8.100 3.136 -10.347 1.00 0.81 C ATOM 133 O GLY A 9 -7.294 2.250 -10.637 1.00 0.93 O ATOM 0 H GLY A 9 -8.979 0.918 -10.257 1.00 0.92 H new ATOM 0 HA2 GLY A 9 -10.071 3.445 -11.180 1.00 1.01 H new ATOM 0 HA3 GLY A 9 -10.063 3.206 -9.444 1.00 1.01 H new ATOM 137 N ASP A 10 -7.741 4.345 -9.957 1.00 0.69 N ATOM 138 CA ASP A 10 -6.394 4.881 -10.006 1.00 0.64 C ATOM 139 C ASP A 10 -6.147 5.567 -8.665 1.00 0.56 C ATOM 140 O ASP A 10 -7.067 5.766 -7.875 1.00 0.47 O ATOM 141 CB ASP A 10 -6.220 5.875 -11.174 1.00 0.86 C ATOM 142 CG ASP A 10 -6.550 5.305 -12.562 1.00 2.53 C ATOM 143 OD1 ASP A 10 -7.762 5.208 -12.856 1.00 4.02 O ATOM 144 OD2 ASP A 10 -5.599 5.016 -13.333 1.00 3.06 O ATOM 0 H ASP A 10 -8.414 5.012 -9.579 1.00 0.69 H new ATOM 0 HA ASP A 10 -5.672 4.082 -10.178 1.00 0.64 H new ATOM 0 HB2 ASP A 10 -6.856 6.742 -10.992 1.00 0.86 H new ATOM 0 HB3 ASP A 10 -5.190 6.231 -11.179 1.00 0.86 H new ATOM 149 N ILE A 11 -4.902 5.946 -8.387 1.00 0.77 N ATOM 150 CA ILE A 11 -4.523 6.499 -7.089 1.00 0.86 C ATOM 151 C ILE A 11 -5.305 7.772 -6.784 1.00 0.75 C ATOM 152 O ILE A 11 -5.860 7.974 -5.708 1.00 0.68 O ATOM 153 CB ILE A 11 -2.988 6.684 -7.080 1.00 1.20 C ATOM 154 CG1 ILE A 11 -2.385 6.203 -5.764 1.00 1.68 C ATOM 155 CG2 ILE A 11 -2.486 8.090 -7.447 1.00 2.59 C ATOM 156 CD1 ILE A 11 -2.889 6.919 -4.520 1.00 3.26 C ATOM 0 H ILE A 11 -4.131 5.879 -9.051 1.00 0.77 H new ATOM 0 HA ILE A 11 -4.784 5.817 -6.280 1.00 0.86 H new ATOM 0 HB ILE A 11 -2.631 6.053 -7.894 1.00 1.20 H new ATOM 0 HG12 ILE A 11 -2.588 5.137 -5.658 1.00 1.68 H new ATOM 0 HG13 ILE A 11 -1.302 6.317 -5.816 1.00 1.68 H new ATOM 0 HG21 ILE A 11 -1.397 8.109 -7.410 1.00 2.59 H new ATOM 0 HG22 ILE A 11 -2.819 8.344 -8.453 1.00 2.59 H new ATOM 0 HG23 ILE A 11 -2.886 8.816 -6.739 1.00 2.59 H new ATOM 0 HD11 ILE A 11 -2.400 6.504 -3.638 1.00 3.26 H new ATOM 0 HD12 ILE A 11 -2.661 7.982 -4.595 1.00 3.26 H new ATOM 0 HD13 ILE A 11 -3.967 6.784 -4.434 1.00 3.26 H new ATOM 168 N ALA A 12 -5.372 8.625 -7.793 1.00 0.80 N ATOM 169 CA ALA A 12 -5.998 9.931 -7.736 1.00 0.83 C ATOM 170 C ALA A 12 -7.523 9.820 -7.717 1.00 0.73 C ATOM 171 O ALA A 12 -8.202 10.838 -7.603 1.00 0.80 O ATOM 172 CB ALA A 12 -5.525 10.770 -8.927 1.00 0.99 C ATOM 0 H ALA A 12 -4.975 8.416 -8.709 1.00 0.80 H new ATOM 0 HA ALA A 12 -5.702 10.422 -6.809 1.00 0.83 H new ATOM 0 HB1 ALA A 12 -5.993 11.753 -8.888 1.00 0.99 H new ATOM 0 HB2 ALA A 12 -4.442 10.882 -8.886 1.00 0.99 H new ATOM 0 HB3 ALA A 12 -5.803 10.272 -9.856 1.00 0.99 H new ATOM 178 N THR A 13 -8.067 8.605 -7.826 1.00 0.62 N ATOM 179 CA THR A 13 -9.499 8.364 -7.805 1.00 0.58 C ATOM 180 C THR A 13 -9.837 7.314 -6.743 1.00 0.51 C ATOM 181 O THR A 13 -10.974 6.857 -6.663 1.00 0.51 O ATOM 182 CB THR A 13 -9.970 7.970 -9.214 1.00 0.64 C ATOM 183 OG1 THR A 13 -9.219 6.882 -9.711 1.00 0.65 O ATOM 184 CG2 THR A 13 -9.785 9.138 -10.187 1.00 0.75 C ATOM 0 H THR A 13 -7.512 7.756 -7.932 1.00 0.62 H new ATOM 0 HA THR A 13 -10.035 9.271 -7.527 1.00 0.58 H new ATOM 0 HB THR A 13 -11.022 7.697 -9.137 1.00 0.64 H new ATOM 0 HG1 THR A 13 -9.537 6.647 -10.608 1.00 0.65 H new ATOM 0 HG21 THR A 13 -10.123 8.842 -11.180 1.00 0.75 H new ATOM 0 HG22 THR A 13 -10.369 9.993 -9.845 1.00 0.75 H new ATOM 0 HG23 THR A 13 -8.731 9.412 -10.230 1.00 0.75 H new ATOM 192 N ALA A 14 -8.886 6.979 -5.863 1.00 0.51 N ATOM 193 CA ALA A 14 -9.089 6.046 -4.771 1.00 0.49 C ATOM 194 C ALA A 14 -9.676 6.808 -3.587 1.00 0.53 C ATOM 195 O ALA A 14 -9.101 6.843 -2.506 1.00 0.58 O ATOM 196 CB ALA A 14 -7.745 5.400 -4.415 1.00 0.57 C ATOM 0 H ALA A 14 -7.941 7.361 -5.899 1.00 0.51 H new ATOM 0 HA ALA A 14 -9.783 5.254 -5.052 1.00 0.49 H new ATOM 0 HB1 ALA A 14 -7.886 4.696 -3.595 1.00 0.57 H new ATOM 0 HB2 ALA A 14 -7.354 4.871 -5.284 1.00 0.57 H new ATOM 0 HB3 ALA A 14 -7.038 6.173 -4.113 1.00 0.57 H new ATOM 202 N THR A 15 -10.825 7.451 -3.766 1.00 0.54 N ATOM 203 CA THR A 15 -11.431 8.281 -2.738 1.00 0.56 C ATOM 204 C THR A 15 -12.203 7.443 -1.710 1.00 0.56 C ATOM 205 O THR A 15 -13.332 7.779 -1.365 1.00 0.66 O ATOM 206 CB THR A 15 -12.340 9.299 -3.435 1.00 0.64 C ATOM 207 OG1 THR A 15 -13.270 8.633 -4.257 1.00 1.13 O ATOM 208 CG2 THR A 15 -11.527 10.259 -4.308 1.00 0.86 C ATOM 0 H THR A 15 -11.362 7.409 -4.632 1.00 0.54 H new ATOM 0 HA THR A 15 -10.654 8.799 -2.175 1.00 0.56 H new ATOM 0 HB THR A 15 -12.855 9.865 -2.659 1.00 0.64 H new ATOM 0 HG1 THR A 15 -13.848 9.291 -4.697 1.00 1.13 H new ATOM 0 HG21 THR A 15 -12.198 10.970 -4.790 1.00 0.86 H new ATOM 0 HG22 THR A 15 -10.812 10.799 -3.687 1.00 0.86 H new ATOM 0 HG23 THR A 15 -10.991 9.693 -5.070 1.00 0.86 H new ATOM 216 N GLU A 16 -11.599 6.380 -1.178 1.00 0.55 N ATOM 217 CA GLU A 16 -12.231 5.416 -0.265 1.00 0.57 C ATOM 218 C GLU A 16 -12.132 5.879 1.191 1.00 0.61 C ATOM 219 O GLU A 16 -11.916 5.098 2.116 1.00 0.63 O ATOM 220 CB GLU A 16 -11.523 4.066 -0.454 1.00 0.58 C ATOM 221 CG GLU A 16 -12.504 2.921 -0.727 1.00 0.63 C ATOM 222 CD GLU A 16 -13.374 2.606 0.493 1.00 2.88 C ATOM 223 OE1 GLU A 16 -13.124 1.563 1.139 1.00 4.30 O ATOM 224 OE2 GLU A 16 -14.298 3.403 0.767 1.00 4.05 O ATOM 0 H GLU A 16 -10.624 6.155 -1.375 1.00 0.55 H new ATOM 0 HA GLU A 16 -13.293 5.328 -0.495 1.00 0.57 H new ATOM 0 HB2 GLU A 16 -10.819 4.142 -1.282 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -10.941 3.836 0.439 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -13.143 3.185 -1.569 1.00 0.63 H new ATOM 0 HG3 GLU A 16 -11.948 2.029 -1.016 1.00 0.63 H new ATOM 231 N GLY A 17 -12.166 7.191 1.407 1.00 0.69 N ATOM 232 CA GLY A 17 -11.838 7.763 2.701 1.00 0.73 C ATOM 233 C GLY A 17 -10.327 7.816 2.924 1.00 0.72 C ATOM 234 O GLY A 17 -9.832 8.808 3.451 1.00 0.81 O ATOM 0 H GLY A 17 -12.419 7.877 0.696 1.00 0.69 H new ATOM 0 HA2 GLY A 17 -12.252 8.769 2.771 1.00 0.73 H new ATOM 0 HA3 GLY A 17 -12.303 7.171 3.490 1.00 0.73 H new ATOM 238 N VAL A 18 -9.588 6.775 2.528 1.00 0.67 N ATOM 239 CA VAL A 18 -8.167 6.643 2.784 1.00 0.75 C ATOM 240 C VAL A 18 -7.510 6.054 1.551 1.00 0.72 C ATOM 241 O VAL A 18 -8.147 5.373 0.747 1.00 0.83 O ATOM 242 CB VAL A 18 -7.944 5.760 4.022 1.00 0.83 C ATOM 243 CG1 VAL A 18 -6.542 5.151 4.152 1.00 0.88 C ATOM 244 CG2 VAL A 18 -8.223 6.585 5.273 1.00 1.29 C ATOM 0 H VAL A 18 -9.978 5.988 2.010 1.00 0.67 H new ATOM 0 HA VAL A 18 -7.719 7.615 2.989 1.00 0.75 H new ATOM 0 HB VAL A 18 -8.629 4.920 3.905 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -6.490 4.547 5.058 1.00 0.88 H new ATOM 0 HG12 VAL A 18 -6.336 4.523 3.285 1.00 0.88 H new ATOM 0 HG13 VAL A 18 -5.802 5.950 4.206 1.00 0.88 H new ATOM 0 HG21 VAL A 18 -8.068 5.968 6.158 1.00 1.29 H new ATOM 0 HG22 VAL A 18 -7.547 7.440 5.303 1.00 1.29 H new ATOM 0 HG23 VAL A 18 -9.254 6.938 5.253 1.00 1.29 H new ATOM 254 N ILE A 19 -6.219 6.339 1.438 1.00 0.63 N ATOM 255 CA ILE A 19 -5.333 5.959 0.366 1.00 0.64 C ATOM 256 C ILE A 19 -4.023 5.584 1.046 1.00 0.60 C ATOM 257 O ILE A 19 -3.654 6.211 2.038 1.00 0.56 O ATOM 258 CB ILE A 19 -5.151 7.173 -0.559 1.00 0.69 C ATOM 259 CG1 ILE A 19 -6.484 7.529 -1.230 1.00 0.72 C ATOM 260 CG2 ILE A 19 -4.073 6.922 -1.614 1.00 0.91 C ATOM 261 CD1 ILE A 19 -6.402 8.739 -2.166 1.00 1.35 C ATOM 0 H ILE A 19 -5.736 6.884 2.152 1.00 0.63 H new ATOM 0 HA ILE A 19 -5.706 5.131 -0.237 1.00 0.64 H new ATOM 0 HB ILE A 19 -4.822 8.013 0.053 1.00 0.69 H new ATOM 0 HG12 ILE A 19 -6.837 6.667 -1.796 1.00 0.72 H new ATOM 0 HG13 ILE A 19 -7.227 7.729 -0.458 1.00 0.72 H new ATOM 0 HG21 ILE A 19 -3.973 7.802 -2.249 1.00 0.91 H new ATOM 0 HG22 ILE A 19 -3.122 6.720 -1.121 1.00 0.91 H new ATOM 0 HG23 ILE A 19 -4.354 6.064 -2.225 1.00 0.91 H new ATOM 0 HD11 ILE A 19 -7.383 8.929 -2.602 1.00 1.35 H new ATOM 0 HD12 ILE A 19 -6.081 9.614 -1.602 1.00 1.35 H new ATOM 0 HD13 ILE A 19 -5.684 8.536 -2.961 1.00 1.35 H new ATOM 273 N ILE A 20 -3.302 4.608 0.500 1.00 0.67 N ATOM 274 CA ILE A 20 -1.953 4.291 0.916 1.00 0.70 C ATOM 275 C ILE A 20 -1.087 4.525 -0.315 1.00 0.86 C ATOM 276 O ILE A 20 -1.556 4.342 -1.438 1.00 1.18 O ATOM 277 CB ILE A 20 -1.847 2.849 1.453 1.00 0.76 C ATOM 278 CG1 ILE A 20 -2.832 2.576 2.607 1.00 0.74 C ATOM 279 CG2 ILE A 20 -0.427 2.570 1.973 1.00 0.84 C ATOM 280 CD1 ILE A 20 -4.181 2.046 2.122 1.00 0.74 C ATOM 0 H ILE A 20 -3.649 4.012 -0.252 1.00 0.67 H new ATOM 0 HA ILE A 20 -1.625 4.916 1.747 1.00 0.70 H new ATOM 0 HB ILE A 20 -2.092 2.196 0.616 1.00 0.76 H new ATOM 0 HG12 ILE A 20 -2.389 1.855 3.294 1.00 0.74 H new ATOM 0 HG13 ILE A 20 -2.989 3.496 3.170 1.00 0.74 H new ATOM 0 HG21 ILE A 20 -0.371 1.548 2.348 1.00 0.84 H new ATOM 0 HG22 ILE A 20 0.289 2.699 1.162 1.00 0.84 H new ATOM 0 HG23 ILE A 20 -0.191 3.265 2.779 1.00 0.84 H new ATOM 0 HD11 ILE A 20 -4.833 1.872 2.978 1.00 0.74 H new ATOM 0 HD12 ILE A 20 -4.642 2.777 1.458 1.00 0.74 H new ATOM 0 HD13 ILE A 20 -4.032 1.110 1.584 1.00 0.74 H new ATOM 292 N ASN A 21 0.160 4.934 -0.105 1.00 0.69 N ATOM 293 CA ASN A 21 1.182 4.991 -1.134 1.00 0.73 C ATOM 294 C ASN A 21 2.467 4.395 -0.564 1.00 0.60 C ATOM 295 O ASN A 21 2.608 4.282 0.656 1.00 0.51 O ATOM 296 CB ASN A 21 1.400 6.440 -1.582 1.00 0.81 C ATOM 297 CG ASN A 21 1.883 6.526 -3.019 1.00 1.37 C ATOM 298 OD1 ASN A 21 2.179 5.521 -3.656 1.00 1.99 O ATOM 299 ND2 ASN A 21 1.964 7.736 -3.550 1.00 2.19 N ATOM 0 H ASN A 21 0.492 5.242 0.809 1.00 0.69 H new ATOM 0 HA ASN A 21 0.872 4.419 -2.009 1.00 0.73 H new ATOM 0 HB2 ASN A 21 0.468 6.995 -1.479 1.00 0.81 H new ATOM 0 HB3 ASN A 21 2.128 6.916 -0.926 1.00 0.81 H new ATOM 0 HD21 ASN A 21 2.279 7.850 -4.513 1.00 2.19 H new ATOM 0 HD22 ASN A 21 1.711 8.554 -2.996 1.00 2.19 H new ATOM 306 N ALA A 22 3.414 4.030 -1.423 1.00 0.81 N ATOM 307 CA ALA A 22 4.739 3.656 -0.956 1.00 0.78 C ATOM 308 C ALA A 22 5.540 4.919 -0.619 1.00 0.89 C ATOM 309 O ALA A 22 5.184 6.025 -1.018 1.00 1.82 O ATOM 310 CB ALA A 22 5.435 2.795 -2.019 1.00 1.07 C ATOM 0 H ALA A 22 3.288 3.986 -2.434 1.00 0.81 H new ATOM 0 HA ALA A 22 4.665 3.060 -0.046 1.00 0.78 H new ATOM 0 HB1 ALA A 22 6.428 2.515 -1.668 1.00 1.07 H new ATOM 0 HB2 ALA A 22 4.847 1.895 -2.200 1.00 1.07 H new ATOM 0 HB3 ALA A 22 5.524 3.362 -2.945 1.00 1.07 H new ATOM 316 N ALA A 23 6.631 4.751 0.122 1.00 0.62 N ATOM 317 CA ALA A 23 7.562 5.824 0.456 1.00 0.85 C ATOM 318 C ALA A 23 8.953 5.251 0.716 1.00 0.83 C ATOM 319 O ALA A 23 9.966 5.738 0.218 1.00 1.04 O ATOM 320 CB ALA A 23 7.049 6.558 1.690 1.00 1.12 C ATOM 0 H ALA A 23 6.898 3.848 0.515 1.00 0.62 H new ATOM 0 HA ALA A 23 7.632 6.523 -0.378 1.00 0.85 H new ATOM 0 HB1 ALA A 23 7.738 7.362 1.948 1.00 1.12 H new ATOM 0 HB2 ALA A 23 6.065 6.977 1.481 1.00 1.12 H new ATOM 0 HB3 ALA A 23 6.977 5.860 2.524 1.00 1.12 H new ATOM 326 N ASN A 24 9.009 4.196 1.523 1.00 0.69 N ATOM 327 CA ASN A 24 10.256 3.580 1.956 1.00 0.76 C ATOM 328 C ASN A 24 11.071 4.554 2.805 1.00 0.87 C ATOM 329 O ASN A 24 10.666 5.689 3.052 1.00 0.95 O ATOM 330 CB ASN A 24 11.058 3.039 0.761 1.00 0.97 C ATOM 331 CG ASN A 24 10.163 2.332 -0.245 1.00 1.20 C ATOM 332 OD1 ASN A 24 9.387 1.458 0.121 1.00 1.44 O ATOM 333 ND2 ASN A 24 10.228 2.725 -1.511 1.00 1.69 N ATOM 0 H ASN A 24 8.178 3.740 1.899 1.00 0.69 H new ATOM 0 HA ASN A 24 10.015 2.722 2.584 1.00 0.76 H new ATOM 0 HB2 ASN A 24 11.578 3.861 0.270 1.00 0.97 H new ATOM 0 HB3 ASN A 24 11.821 2.347 1.118 1.00 0.97 H new ATOM 0 HD21 ASN A 24 9.621 2.296 -2.210 1.00 1.69 H new ATOM 0 HD22 ASN A 24 10.885 3.456 -1.785 1.00 1.69 H new ATOM 340 N SER A 25 12.274 4.141 3.197 1.00 1.00 N ATOM 341 CA SER A 25 13.235 5.016 3.855 1.00 1.20 C ATOM 342 C SER A 25 13.600 6.223 2.981 1.00 1.43 C ATOM 343 O SER A 25 14.149 7.208 3.464 1.00 1.59 O ATOM 344 CB SER A 25 14.493 4.212 4.202 1.00 1.35 C ATOM 345 OG SER A 25 14.182 2.833 4.331 1.00 2.45 O ATOM 0 H SER A 25 12.609 3.186 3.066 1.00 1.00 H new ATOM 0 HA SER A 25 12.778 5.404 4.766 1.00 1.20 H new ATOM 0 HB2 SER A 25 15.246 4.350 3.426 1.00 1.35 H new ATOM 0 HB3 SER A 25 14.923 4.582 5.132 1.00 1.35 H new ATOM 0 HG SER A 25 14.996 2.333 4.551 1.00 2.45 H new ATOM 351 N LYS A 26 13.324 6.134 1.676 1.00 1.56 N ATOM 352 CA LYS A 26 13.635 7.159 0.693 1.00 1.86 C ATOM 353 C LYS A 26 12.598 8.279 0.728 1.00 1.83 C ATOM 354 O LYS A 26 12.870 9.366 0.232 1.00 2.07 O ATOM 355 CB LYS A 26 13.700 6.530 -0.708 1.00 1.92 C ATOM 356 CG LYS A 26 14.749 5.408 -0.754 1.00 2.15 C ATOM 357 CD LYS A 26 14.947 4.870 -2.174 1.00 2.34 C ATOM 358 CE LYS A 26 15.940 3.702 -2.128 1.00 2.51 C ATOM 359 NZ LYS A 26 16.206 3.142 -3.471 1.00 3.06 N ATOM 0 H LYS A 26 12.864 5.319 1.269 1.00 1.56 H new ATOM 0 HA LYS A 26 14.605 7.593 0.935 1.00 1.86 H new ATOM 0 HB2 LYS A 26 12.722 6.131 -0.978 1.00 1.92 H new ATOM 0 HB3 LYS A 26 13.947 7.295 -1.444 1.00 1.92 H new ATOM 0 HG2 LYS A 26 15.699 5.783 -0.372 1.00 2.15 H new ATOM 0 HG3 LYS A 26 14.440 4.595 -0.097 1.00 2.15 H new ATOM 0 HD2 LYS A 26 13.995 4.539 -2.588 1.00 2.34 H new ATOM 0 HD3 LYS A 26 15.322 5.658 -2.827 1.00 2.34 H new ATOM 0 HE2 LYS A 26 16.877 4.041 -1.685 1.00 2.51 H new ATOM 0 HE3 LYS A 26 15.547 2.918 -1.481 1.00 2.51 H new ATOM 0 HZ1 LYS A 26 16.882 2.356 -3.392 1.00 3.06 H new ATOM 0 HZ2 LYS A 26 15.317 2.794 -3.884 1.00 3.06 H new ATOM 0 HZ3 LYS A 26 16.606 3.882 -4.083 1.00 3.06 H new ATOM 373 N GLY A 27 11.403 8.006 1.252 1.00 1.61 N ATOM 374 CA GLY A 27 10.303 8.952 1.255 1.00 1.67 C ATOM 375 C GLY A 27 9.536 8.952 -0.064 1.00 1.61 C ATOM 376 O GLY A 27 8.543 9.658 -0.193 1.00 1.70 O ATOM 0 H GLY A 27 11.176 7.112 1.688 1.00 1.61 H new ATOM 0 HA2 GLY A 27 9.621 8.710 2.070 1.00 1.67 H new ATOM 0 HA3 GLY A 27 10.688 9.953 1.449 1.00 1.67 H new ATOM 380 N GLN A 28 9.951 8.152 -1.047 1.00 1.54 N ATOM 381 CA GLN A 28 9.428 8.201 -2.395 1.00 1.53 C ATOM 382 C GLN A 28 8.783 6.858 -2.738 1.00 1.34 C ATOM 383 O GLN A 28 9.440 5.819 -2.641 1.00 1.32 O ATOM 384 CB GLN A 28 10.576 8.525 -3.359 1.00 1.72 C ATOM 385 CG GLN A 28 10.036 8.639 -4.785 1.00 1.66 C ATOM 386 CD GLN A 28 11.115 8.926 -5.823 1.00 1.98 C ATOM 387 OE1 GLN A 28 12.234 9.306 -5.503 1.00 2.44 O ATOM 388 NE2 GLN A 28 10.795 8.730 -7.096 1.00 2.51 N ATOM 0 H GLN A 28 10.673 7.443 -0.917 1.00 1.54 H new ATOM 0 HA GLN A 28 8.667 8.976 -2.482 1.00 1.53 H new ATOM 0 HB2 GLN A 28 11.057 9.458 -3.066 1.00 1.72 H new ATOM 0 HB3 GLN A 28 11.336 7.746 -3.309 1.00 1.72 H new ATOM 0 HG2 GLN A 28 9.528 7.711 -5.048 1.00 1.66 H new ATOM 0 HG3 GLN A 28 9.289 9.432 -4.820 1.00 1.66 H new ATOM 0 HE21 GLN A 28 9.858 8.413 -7.343 1.00 2.51 H new ATOM 0 HE22 GLN A 28 11.487 8.896 -7.827 1.00 2.51 H new ATOM 397 N PRO A 29 7.522 6.853 -3.195 1.00 1.25 N ATOM 398 CA PRO A 29 6.917 5.651 -3.725 1.00 1.16 C ATOM 399 C PRO A 29 7.711 5.207 -4.945 1.00 1.24 C ATOM 400 O PRO A 29 7.925 5.992 -5.866 1.00 1.41 O ATOM 401 CB PRO A 29 5.471 6.000 -4.092 1.00 1.15 C ATOM 402 CG PRO A 29 5.442 7.524 -4.128 1.00 1.28 C ATOM 403 CD PRO A 29 6.632 7.992 -3.298 1.00 1.33 C ATOM 0 HA PRO A 29 6.921 4.833 -3.005 1.00 1.16 H new ATOM 0 HB2 PRO A 29 5.193 5.575 -5.056 1.00 1.15 H new ATOM 0 HB3 PRO A 29 4.769 5.607 -3.356 1.00 1.15 H new ATOM 0 HG2 PRO A 29 5.513 7.891 -5.152 1.00 1.28 H new ATOM 0 HG3 PRO A 29 4.507 7.905 -3.717 1.00 1.28 H new ATOM 0 HD2 PRO A 29 7.132 8.835 -3.774 1.00 1.33 H new ATOM 0 HD3 PRO A 29 6.312 8.327 -2.311 1.00 1.33 H new ATOM 411 N GLY A 30 8.152 3.949 -4.949 1.00 1.27 N ATOM 412 CA GLY A 30 8.916 3.401 -6.060 1.00 1.39 C ATOM 413 C GLY A 30 8.034 3.182 -7.288 1.00 1.72 C ATOM 414 O GLY A 30 7.624 2.055 -7.555 1.00 2.83 O ATOM 0 H GLY A 30 7.990 3.290 -4.188 1.00 1.27 H new ATOM 0 HA2 GLY A 30 9.732 4.079 -6.312 1.00 1.39 H new ATOM 0 HA3 GLY A 30 9.368 2.455 -5.761 1.00 1.39 H new ATOM 418 N GLY A 31 7.748 4.248 -8.041 1.00 1.27 N ATOM 419 CA GLY A 31 6.942 4.209 -9.248 1.00 1.78 C ATOM 420 C GLY A 31 6.550 5.628 -9.659 1.00 1.23 C ATOM 421 O GLY A 31 6.750 6.579 -8.908 1.00 2.75 O ATOM 0 H GLY A 31 8.084 5.184 -7.815 1.00 1.27 H new ATOM 0 HA2 GLY A 31 7.499 3.729 -10.052 1.00 1.78 H new ATOM 0 HA3 GLY A 31 6.047 3.610 -9.079 1.00 1.78 H new ATOM 425 N GLY A 32 5.942 5.784 -10.839 1.00 1.03 N ATOM 426 CA GLY A 32 5.547 7.097 -11.345 1.00 1.35 C ATOM 427 C GLY A 32 4.215 7.582 -10.766 1.00 1.10 C ATOM 428 O GLY A 32 3.734 8.653 -11.124 1.00 1.09 O ATOM 0 H GLY A 32 5.713 5.010 -11.463 1.00 1.03 H new ATOM 0 HA2 GLY A 32 6.326 7.822 -11.108 1.00 1.35 H new ATOM 0 HA3 GLY A 32 5.471 7.054 -12.432 1.00 1.35 H new ATOM 432 N VAL A 33 3.606 6.810 -9.865 1.00 1.01 N ATOM 433 CA VAL A 33 2.314 7.114 -9.267 1.00 0.88 C ATOM 434 C VAL A 33 2.373 8.387 -8.431 1.00 0.78 C ATOM 435 O VAL A 33 1.366 9.088 -8.328 1.00 0.76 O ATOM 436 CB VAL A 33 1.846 5.882 -8.469 1.00 1.06 C ATOM 437 CG1 VAL A 33 0.486 6.107 -7.817 1.00 1.99 C ATOM 438 CG2 VAL A 33 1.724 4.665 -9.397 1.00 2.70 C ATOM 0 H VAL A 33 4.010 5.937 -9.526 1.00 1.01 H new ATOM 0 HA VAL A 33 1.577 7.319 -10.043 1.00 0.88 H new ATOM 0 HB VAL A 33 2.592 5.709 -7.693 1.00 1.06 H new ATOM 0 HG11 VAL A 33 0.195 5.213 -7.265 1.00 1.99 H new ATOM 0 HG12 VAL A 33 0.546 6.953 -7.132 1.00 1.99 H new ATOM 0 HG13 VAL A 33 -0.257 6.316 -8.587 1.00 1.99 H new ATOM 0 HG21 VAL A 33 1.393 3.801 -8.822 1.00 2.70 H new ATOM 0 HG22 VAL A 33 0.999 4.878 -10.183 1.00 2.70 H new ATOM 0 HG23 VAL A 33 2.694 4.452 -9.846 1.00 2.70 H new ATOM 448 N CYS A 34 3.542 8.752 -7.894 1.00 0.83 N ATOM 449 CA CYS A 34 3.658 10.027 -7.202 1.00 0.96 C ATOM 450 C CYS A 34 3.304 11.204 -8.111 1.00 0.94 C ATOM 451 O CYS A 34 2.938 12.254 -7.602 1.00 0.99 O ATOM 452 CB CYS A 34 5.062 10.233 -6.621 1.00 1.26 C ATOM 453 SG CYS A 34 4.876 10.818 -4.915 1.00 2.59 S ATOM 0 H CYS A 34 4.396 8.196 -7.926 1.00 0.83 H new ATOM 0 HA CYS A 34 2.941 9.994 -6.382 1.00 0.96 H new ATOM 0 HB2 CYS A 34 5.626 9.301 -6.646 1.00 1.26 H new ATOM 0 HB3 CYS A 34 5.618 10.958 -7.215 1.00 1.26 H new ATOM 0 HG CYS A 34 4.051 10.042 -4.278 1.00 2.59 H new ATOM 459 N GLY A 35 3.423 11.053 -9.433 1.00 0.96 N ATOM 460 CA GLY A 35 3.123 12.108 -10.386 1.00 1.03 C ATOM 461 C GLY A 35 1.622 12.362 -10.467 1.00 0.91 C ATOM 462 O GLY A 35 1.181 13.505 -10.400 1.00 0.98 O ATOM 0 H GLY A 35 3.734 10.185 -9.869 1.00 0.96 H new ATOM 0 HA2 GLY A 35 3.635 13.024 -10.092 1.00 1.03 H new ATOM 0 HA3 GLY A 35 3.502 11.832 -11.370 1.00 1.03 H new ATOM 466 N ALA A 36 0.813 11.312 -10.610 1.00 0.80 N ATOM 467 CA ALA A 36 -0.636 11.479 -10.642 1.00 0.73 C ATOM 468 C ALA A 36 -1.112 11.984 -9.294 1.00 0.66 C ATOM 469 O ALA A 36 -1.889 12.938 -9.222 1.00 0.67 O ATOM 470 CB ALA A 36 -1.312 10.152 -10.994 1.00 0.73 C ATOM 0 H ALA A 36 1.134 10.348 -10.704 1.00 0.80 H new ATOM 0 HA ALA A 36 -0.903 12.208 -11.407 1.00 0.73 H new ATOM 0 HB1 ALA A 36 -2.393 10.289 -11.015 1.00 0.73 H new ATOM 0 HB2 ALA A 36 -0.969 9.818 -11.973 1.00 0.73 H new ATOM 0 HB3 ALA A 36 -1.055 9.403 -10.245 1.00 0.73 H new ATOM 476 N LEU A 37 -0.623 11.358 -8.223 1.00 0.63 N ATOM 477 CA LEU A 37 -1.016 11.776 -6.895 1.00 0.60 C ATOM 478 C LEU A 37 -0.665 13.234 -6.655 1.00 0.67 C ATOM 479 O LEU A 37 -1.475 13.956 -6.105 1.00 0.75 O ATOM 480 CB LEU A 37 -0.390 10.862 -5.845 1.00 0.62 C ATOM 481 CG LEU A 37 -0.920 11.164 -4.434 1.00 0.59 C ATOM 482 CD1 LEU A 37 -2.446 11.074 -4.356 1.00 0.76 C ATOM 483 CD2 LEU A 37 -0.321 10.121 -3.495 1.00 0.67 C ATOM 0 H LEU A 37 0.032 10.577 -8.255 1.00 0.63 H new ATOM 0 HA LEU A 37 -2.099 11.690 -6.810 1.00 0.60 H new ATOM 0 HB2 LEU A 37 -0.600 9.822 -6.097 1.00 0.62 H new ATOM 0 HB3 LEU A 37 0.693 10.981 -5.859 1.00 0.62 H new ATOM 0 HG LEU A 37 -0.639 12.181 -4.161 1.00 0.59 H new ATOM 0 HD11 LEU A 37 -2.772 11.295 -3.340 1.00 0.76 H new ATOM 0 HD12 LEU A 37 -2.889 11.794 -5.044 1.00 0.76 H new ATOM 0 HD13 LEU A 37 -2.766 10.068 -4.628 1.00 0.76 H new ATOM 0 HD21 LEU A 37 -0.674 10.301 -2.479 1.00 0.67 H new ATOM 0 HD22 LEU A 37 -0.627 9.125 -3.815 1.00 0.67 H new ATOM 0 HD23 LEU A 37 0.766 10.191 -3.519 1.00 0.67 H new ATOM 495 N TYR A 38 0.497 13.693 -7.105 1.00 0.72 N ATOM 496 CA TYR A 38 0.889 15.095 -7.068 1.00 0.81 C ATOM 497 C TYR A 38 -0.082 15.959 -7.865 1.00 0.87 C ATOM 498 O TYR A 38 -0.432 17.055 -7.433 1.00 0.98 O ATOM 499 CB TYR A 38 2.304 15.193 -7.650 1.00 0.89 C ATOM 500 CG TYR A 38 2.842 16.559 -8.040 1.00 1.17 C ATOM 501 CD1 TYR A 38 3.681 16.670 -9.164 1.00 2.42 C ATOM 502 CD2 TYR A 38 2.554 17.703 -7.275 1.00 2.24 C ATOM 503 CE1 TYR A 38 4.235 17.914 -9.517 1.00 2.77 C ATOM 504 CE2 TYR A 38 3.089 18.953 -7.628 1.00 2.54 C ATOM 505 CZ TYR A 38 3.944 19.060 -8.748 1.00 2.13 C ATOM 506 OH TYR A 38 4.504 20.256 -9.086 1.00 2.66 O ATOM 0 H TYR A 38 1.208 13.087 -7.515 1.00 0.72 H new ATOM 0 HA TYR A 38 0.870 15.462 -6.042 1.00 0.81 H new ATOM 0 HB2 TYR A 38 2.991 14.764 -6.921 1.00 0.89 H new ATOM 0 HB3 TYR A 38 2.341 14.559 -8.536 1.00 0.89 H new ATOM 0 HD1 TYR A 38 3.901 15.796 -9.759 1.00 2.42 H new ATOM 0 HD2 TYR A 38 1.916 17.620 -6.408 1.00 2.24 H new ATOM 0 HE1 TYR A 38 4.883 17.992 -10.377 1.00 2.77 H new ATOM 0 HE2 TYR A 38 2.848 19.830 -7.045 1.00 2.54 H new ATOM 0 HH TYR A 38 4.203 20.947 -8.459 1.00 2.66 H new ATOM 516 N LYS A 39 -0.506 15.504 -9.048 1.00 0.84 N ATOM 517 CA LYS A 39 -1.150 16.389 -10.010 1.00 0.92 C ATOM 518 C LYS A 39 -2.514 16.802 -9.485 1.00 0.95 C ATOM 519 O LYS A 39 -3.022 17.868 -9.822 1.00 1.09 O ATOM 520 CB LYS A 39 -1.238 15.713 -11.386 1.00 0.98 C ATOM 521 CG LYS A 39 -1.178 16.759 -12.504 1.00 1.27 C ATOM 522 CD LYS A 39 -1.194 16.086 -13.881 1.00 1.34 C ATOM 523 CE LYS A 39 -0.788 17.110 -14.946 1.00 2.01 C ATOM 524 NZ LYS A 39 -0.867 16.550 -16.314 1.00 2.26 N ATOM 0 H LYS A 39 -0.414 14.536 -9.356 1.00 0.84 H new ATOM 0 HA LYS A 39 -0.552 17.292 -10.138 1.00 0.92 H new ATOM 0 HB2 LYS A 39 -0.420 15.002 -11.501 1.00 0.98 H new ATOM 0 HB3 LYS A 39 -2.166 15.146 -11.460 1.00 0.98 H new ATOM 0 HG2 LYS A 39 -2.025 17.440 -12.417 1.00 1.27 H new ATOM 0 HG3 LYS A 39 -0.274 17.359 -12.398 1.00 1.27 H new ATOM 0 HD2 LYS A 39 -0.508 15.239 -13.893 1.00 1.34 H new ATOM 0 HD3 LYS A 39 -2.188 15.694 -14.096 1.00 1.34 H new ATOM 0 HE2 LYS A 39 -1.436 17.984 -14.874 1.00 2.01 H new ATOM 0 HE3 LYS A 39 0.229 17.451 -14.752 1.00 2.01 H new ATOM 0 HZ1 LYS A 39 -0.584 17.276 -17.003 1.00 2.26 H new ATOM 0 HZ2 LYS A 39 -0.230 15.732 -16.392 1.00 2.26 H new ATOM 0 HZ3 LYS A 39 -1.843 16.248 -16.510 1.00 2.26 H new ATOM 538 N LYS A 40 -3.119 15.933 -8.673 1.00 0.86 N ATOM 539 CA LYS A 40 -4.421 16.193 -8.072 1.00 0.91 C ATOM 540 C LYS A 40 -4.339 16.470 -6.569 1.00 0.87 C ATOM 541 O LYS A 40 -5.179 17.178 -6.023 1.00 1.04 O ATOM 542 CB LYS A 40 -5.300 14.992 -8.395 1.00 0.91 C ATOM 543 CG LYS A 40 -6.781 15.266 -8.085 1.00 1.08 C ATOM 544 CD LYS A 40 -7.670 15.191 -9.323 1.00 1.29 C ATOM 545 CE LYS A 40 -7.184 16.202 -10.365 1.00 1.60 C ATOM 546 NZ LYS A 40 -8.285 16.653 -11.243 1.00 2.24 N ATOM 0 H LYS A 40 -2.718 15.031 -8.416 1.00 0.86 H new ATOM 0 HA LYS A 40 -4.850 17.105 -8.487 1.00 0.91 H new ATOM 0 HB2 LYS A 40 -5.191 14.735 -9.449 1.00 0.91 H new ATOM 0 HB3 LYS A 40 -4.962 14.130 -7.820 1.00 0.91 H new ATOM 0 HG2 LYS A 40 -7.132 14.544 -7.347 1.00 1.08 H new ATOM 0 HG3 LYS A 40 -6.876 16.254 -7.635 1.00 1.08 H new ATOM 0 HD2 LYS A 40 -7.647 14.184 -9.740 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -8.705 15.400 -9.053 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -6.745 17.063 -9.860 1.00 1.60 H new ATOM 0 HE3 LYS A 40 -6.397 15.752 -10.970 1.00 1.60 H new ATOM 0 HZ1 LYS A 40 -7.919 17.337 -11.936 1.00 2.24 H new ATOM 0 HZ2 LYS A 40 -8.687 15.835 -11.743 1.00 2.24 H new ATOM 0 HZ3 LYS A 40 -9.024 17.105 -10.668 1.00 2.24 H new ATOM 560 N PHE A 41 -3.333 15.917 -5.902 1.00 0.79 N ATOM 561 CA PHE A 41 -3.128 16.011 -4.456 1.00 0.98 C ATOM 562 C PHE A 41 -1.684 16.448 -4.183 1.00 0.75 C ATOM 563 O PHE A 41 -0.874 15.674 -3.671 1.00 0.78 O ATOM 564 CB PHE A 41 -3.434 14.686 -3.715 1.00 1.32 C ATOM 565 CG PHE A 41 -4.771 14.023 -3.998 1.00 0.74 C ATOM 566 CD1 PHE A 41 -5.008 13.456 -5.257 1.00 0.69 C ATOM 567 CD2 PHE A 41 -5.755 13.899 -3.002 1.00 1.39 C ATOM 568 CE1 PHE A 41 -6.237 12.848 -5.556 1.00 0.83 C ATOM 569 CE2 PHE A 41 -6.996 13.310 -3.304 1.00 2.04 C ATOM 570 CZ PHE A 41 -7.243 12.788 -4.583 1.00 1.73 C ATOM 0 H PHE A 41 -2.609 15.370 -6.368 1.00 0.79 H new ATOM 0 HA PHE A 41 -3.831 16.749 -4.070 1.00 0.98 H new ATOM 0 HB2 PHE A 41 -2.646 13.973 -3.958 1.00 1.32 H new ATOM 0 HB3 PHE A 41 -3.372 14.876 -2.644 1.00 1.32 H new ATOM 0 HD1 PHE A 41 -4.233 13.487 -6.009 1.00 0.69 H new ATOM 0 HD2 PHE A 41 -5.558 14.257 -2.002 1.00 1.39 H new ATOM 0 HE1 PHE A 41 -6.407 12.427 -6.536 1.00 0.83 H new ATOM 0 HE2 PHE A 41 -7.764 13.259 -2.546 1.00 2.04 H new ATOM 0 HZ PHE A 41 -8.200 12.344 -4.815 1.00 1.73 H new ATOM 580 N PRO A 42 -1.339 17.713 -4.446 1.00 0.86 N ATOM 581 CA PRO A 42 0.010 18.212 -4.231 1.00 0.94 C ATOM 582 C PRO A 42 0.358 18.374 -2.749 1.00 0.89 C ATOM 583 O PRO A 42 1.491 18.706 -2.426 1.00 1.16 O ATOM 584 CB PRO A 42 0.065 19.546 -4.980 1.00 1.33 C ATOM 585 CG PRO A 42 -1.382 20.028 -4.929 1.00 1.45 C ATOM 586 CD PRO A 42 -2.175 18.729 -5.060 1.00 1.16 C ATOM 0 HA PRO A 42 0.752 17.504 -4.601 1.00 0.94 H new ATOM 0 HB2 PRO A 42 0.743 20.251 -4.499 1.00 1.33 H new ATOM 0 HB3 PRO A 42 0.412 19.419 -6.005 1.00 1.33 H new ATOM 0 HG2 PRO A 42 -1.604 20.545 -3.995 1.00 1.45 H new ATOM 0 HG3 PRO A 42 -1.606 20.722 -5.739 1.00 1.45 H new ATOM 0 HD2 PRO A 42 -3.139 18.803 -4.557 1.00 1.16 H new ATOM 0 HD3 PRO A 42 -2.378 18.494 -6.105 1.00 1.16 H new ATOM 594 N GLU A 43 -0.582 18.136 -1.833 1.00 0.82 N ATOM 595 CA GLU A 43 -0.310 18.100 -0.405 1.00 0.96 C ATOM 596 C GLU A 43 -0.010 16.668 0.063 1.00 0.90 C ATOM 597 O GLU A 43 0.194 16.429 1.248 1.00 1.12 O ATOM 598 CB GLU A 43 -1.521 18.710 0.301 1.00 1.22 C ATOM 599 CG GLU A 43 -1.468 20.241 0.262 1.00 1.62 C ATOM 600 CD GLU A 43 -0.570 20.778 1.375 1.00 3.31 C ATOM 601 OE1 GLU A 43 -1.134 21.101 2.443 1.00 4.34 O ATOM 602 OE2 GLU A 43 0.657 20.836 1.142 1.00 4.45 O ATOM 0 H GLU A 43 -1.559 17.962 -2.068 1.00 0.82 H new ATOM 0 HA GLU A 43 0.581 18.678 -0.160 1.00 0.96 H new ATOM 0 HB2 GLU A 43 -2.437 18.362 -0.176 1.00 1.22 H new ATOM 0 HB3 GLU A 43 -1.552 18.370 1.336 1.00 1.22 H new ATOM 0 HG2 GLU A 43 -1.093 20.572 -0.706 1.00 1.62 H new ATOM 0 HG3 GLU A 43 -2.473 20.648 0.371 1.00 1.62 H new ATOM 609 N SER A 44 -0.004 15.694 -0.851 1.00 0.83 N ATOM 610 CA SER A 44 0.279 14.306 -0.549 1.00 0.95 C ATOM 611 C SER A 44 1.680 13.923 -1.008 1.00 1.06 C ATOM 612 O SER A 44 2.264 13.004 -0.437 1.00 1.12 O ATOM 613 CB SER A 44 -0.746 13.422 -1.251 1.00 1.15 C ATOM 614 OG SER A 44 -0.602 12.093 -0.804 1.00 2.25 O ATOM 0 H SER A 44 -0.201 15.861 -1.838 1.00 0.83 H new ATOM 0 HA SER A 44 0.221 14.165 0.530 1.00 0.95 H new ATOM 0 HB2 SER A 44 -1.754 13.780 -1.043 1.00 1.15 H new ATOM 0 HB3 SER A 44 -0.606 13.471 -2.331 1.00 1.15 H new ATOM 0 HG SER A 44 -0.586 12.077 0.176 1.00 2.25 H new ATOM 620 N PHE A 45 2.222 14.562 -2.051 1.00 1.48 N ATOM 621 CA PHE A 45 3.557 14.231 -2.546 1.00 1.78 C ATOM 622 C PHE A 45 4.636 14.955 -1.728 1.00 1.75 C ATOM 623 O PHE A 45 5.580 15.526 -2.252 1.00 2.37 O ATOM 624 CB PHE A 45 3.652 14.471 -4.064 1.00 2.69 C ATOM 625 CG PHE A 45 4.071 15.854 -4.537 1.00 2.53 C ATOM 626 CD1 PHE A 45 3.579 17.007 -3.906 1.00 2.70 C ATOM 627 CD2 PHE A 45 5.056 15.981 -5.537 1.00 3.88 C ATOM 628 CE1 PHE A 45 4.081 18.275 -4.244 1.00 4.20 C ATOM 629 CE2 PHE A 45 5.558 17.248 -5.880 1.00 4.46 C ATOM 630 CZ PHE A 45 5.079 18.395 -5.224 1.00 4.64 C ATOM 0 H PHE A 45 1.756 15.309 -2.566 1.00 1.48 H new ATOM 0 HA PHE A 45 3.743 13.166 -2.403 1.00 1.78 H new ATOM 0 HB2 PHE A 45 4.358 13.748 -4.474 1.00 2.69 H new ATOM 0 HB3 PHE A 45 2.678 14.248 -4.500 1.00 2.69 H new ATOM 0 HD1 PHE A 45 2.808 16.919 -3.155 1.00 2.70 H new ATOM 0 HD2 PHE A 45 5.427 15.101 -6.042 1.00 3.88 H new ATOM 0 HE1 PHE A 45 3.699 19.157 -3.750 1.00 4.20 H new ATOM 0 HE2 PHE A 45 6.312 17.340 -6.648 1.00 4.46 H new ATOM 0 HZ PHE A 45 5.478 19.367 -5.473 1.00 4.64 H new ATOM 640 N ASP A 46 4.519 14.900 -0.407 1.00 1.42 N ATOM 641 CA ASP A 46 5.454 15.507 0.529 1.00 1.95 C ATOM 642 C ASP A 46 6.818 14.814 0.442 1.00 1.80 C ATOM 643 O ASP A 46 7.855 15.390 0.748 1.00 2.54 O ATOM 644 CB ASP A 46 4.827 15.360 1.914 1.00 2.30 C ATOM 645 CG ASP A 46 5.608 16.062 3.018 1.00 3.16 C ATOM 646 OD1 ASP A 46 6.127 17.169 2.777 1.00 4.46 O ATOM 647 OD2 ASP A 46 5.638 15.489 4.128 1.00 3.13 O ATOM 0 H ASP A 46 3.748 14.418 0.055 1.00 1.42 H new ATOM 0 HA ASP A 46 5.631 16.559 0.304 1.00 1.95 H new ATOM 0 HB2 ASP A 46 3.813 15.759 1.888 1.00 2.30 H new ATOM 0 HB3 ASP A 46 4.746 14.300 2.156 1.00 2.30 H new ATOM 652 N LEU A 47 6.804 13.549 0.002 1.00 1.17 N ATOM 653 CA LEU A 47 7.961 12.684 -0.208 1.00 1.17 C ATOM 654 C LEU A 47 8.886 12.680 1.008 1.00 1.22 C ATOM 655 O LEU A 47 10.104 12.558 0.880 1.00 1.45 O ATOM 656 CB LEU A 47 8.723 13.051 -1.491 1.00 1.19 C ATOM 657 CG LEU A 47 7.816 13.164 -2.725 1.00 2.25 C ATOM 658 CD1 LEU A 47 8.064 14.496 -3.432 1.00 2.98 C ATOM 659 CD2 LEU A 47 8.071 12.028 -3.716 1.00 3.04 C ATOM 0 H LEU A 47 5.929 13.078 -0.229 1.00 1.17 H new ATOM 0 HA LEU A 47 7.583 11.670 -0.336 1.00 1.17 H new ATOM 0 HB2 LEU A 47 9.239 13.999 -1.340 1.00 1.19 H new ATOM 0 HB3 LEU A 47 9.488 12.298 -1.679 1.00 1.19 H new ATOM 0 HG LEU A 47 6.784 13.102 -2.380 1.00 2.25 H new ATOM 0 HD11 LEU A 47 7.417 14.570 -4.306 1.00 2.98 H new ATOM 0 HD12 LEU A 47 7.845 15.317 -2.749 1.00 2.98 H new ATOM 0 HD13 LEU A 47 9.106 14.553 -3.746 1.00 2.98 H new ATOM 0 HD21 LEU A 47 7.411 12.141 -4.576 1.00 3.04 H new ATOM 0 HD22 LEU A 47 9.109 12.061 -4.048 1.00 3.04 H new ATOM 0 HD23 LEU A 47 7.875 11.072 -3.231 1.00 3.04 H new ATOM 671 N GLN A 48 8.307 12.798 2.202 1.00 1.17 N ATOM 672 CA GLN A 48 9.102 12.959 3.407 1.00 1.17 C ATOM 673 C GLN A 48 9.746 11.615 3.735 1.00 1.16 C ATOM 674 O GLN A 48 9.162 10.571 3.450 1.00 1.16 O ATOM 675 CB GLN A 48 8.227 13.412 4.591 1.00 1.24 C ATOM 676 CG GLN A 48 8.549 14.850 5.014 1.00 1.74 C ATOM 677 CD GLN A 48 7.981 15.168 6.399 1.00 2.20 C ATOM 678 OE1 GLN A 48 8.433 14.631 7.411 1.00 2.58 O ATOM 679 NE2 GLN A 48 6.998 16.049 6.476 1.00 3.01 N ATOM 0 H GLN A 48 7.299 12.785 2.355 1.00 1.17 H new ATOM 0 HA GLN A 48 9.861 13.723 3.238 1.00 1.17 H new ATOM 0 HB2 GLN A 48 7.175 13.340 4.315 1.00 1.24 H new ATOM 0 HB3 GLN A 48 8.381 12.741 5.436 1.00 1.24 H new ATOM 0 HG2 GLN A 48 9.629 14.995 5.021 1.00 1.74 H new ATOM 0 HG3 GLN A 48 8.138 15.546 4.283 1.00 1.74 H new ATOM 0 HE21 GLN A 48 6.636 16.484 5.628 1.00 3.01 H new ATOM 0 HE22 GLN A 48 6.602 16.293 7.384 1.00 3.01 H new ATOM 688 N PRO A 49 10.934 11.620 4.352 1.00 1.20 N ATOM 689 CA PRO A 49 11.614 10.402 4.739 1.00 1.22 C ATOM 690 C PRO A 49 10.815 9.733 5.855 1.00 1.12 C ATOM 691 O PRO A 49 10.208 10.413 6.685 1.00 1.30 O ATOM 692 CB PRO A 49 13.002 10.854 5.198 1.00 1.31 C ATOM 693 CG PRO A 49 12.753 12.261 5.740 1.00 1.29 C ATOM 694 CD PRO A 49 11.632 12.791 4.848 1.00 1.24 C ATOM 0 HA PRO A 49 11.704 9.669 3.938 1.00 1.22 H new ATOM 0 HB2 PRO A 49 13.407 10.194 5.965 1.00 1.31 H new ATOM 0 HB3 PRO A 49 13.716 10.861 4.374 1.00 1.31 H new ATOM 0 HG2 PRO A 49 12.456 12.241 6.789 1.00 1.29 H new ATOM 0 HG3 PRO A 49 13.647 12.881 5.673 1.00 1.29 H new ATOM 0 HD2 PRO A 49 10.959 13.439 5.409 1.00 1.24 H new ATOM 0 HD3 PRO A 49 12.033 13.384 4.026 1.00 1.24 H new ATOM 702 N ILE A 50 10.805 8.399 5.885 1.00 0.92 N ATOM 703 CA ILE A 50 10.032 7.637 6.839 1.00 0.88 C ATOM 704 C ILE A 50 10.954 6.592 7.458 1.00 0.82 C ATOM 705 O ILE A 50 11.971 6.214 6.879 1.00 0.85 O ATOM 706 CB ILE A 50 8.803 7.033 6.137 1.00 0.91 C ATOM 707 CG1 ILE A 50 7.950 8.167 5.540 1.00 1.08 C ATOM 708 CG2 ILE A 50 7.973 6.239 7.150 1.00 0.83 C ATOM 709 CD1 ILE A 50 6.593 7.707 5.012 1.00 1.61 C ATOM 0 H ILE A 50 11.342 7.822 5.237 1.00 0.92 H new ATOM 0 HA ILE A 50 9.645 8.261 7.645 1.00 0.88 H new ATOM 0 HB ILE A 50 9.128 6.365 5.339 1.00 0.91 H new ATOM 0 HG12 ILE A 50 7.793 8.930 6.302 1.00 1.08 H new ATOM 0 HG13 ILE A 50 8.505 8.637 4.728 1.00 1.08 H new ATOM 0 HG21 ILE A 50 7.103 5.812 6.652 1.00 0.83 H new ATOM 0 HG22 ILE A 50 8.581 5.438 7.570 1.00 0.83 H new ATOM 0 HG23 ILE A 50 7.644 6.902 7.950 1.00 0.83 H new ATOM 0 HD11 ILE A 50 6.051 8.562 4.608 1.00 1.61 H new ATOM 0 HD12 ILE A 50 6.740 6.966 4.226 1.00 1.61 H new ATOM 0 HD13 ILE A 50 6.017 7.264 5.825 1.00 1.61 H new ATOM 721 N GLU A 51 10.613 6.171 8.672 1.00 0.78 N ATOM 722 CA GLU A 51 11.408 5.269 9.472 1.00 0.76 C ATOM 723 C GLU A 51 11.209 3.837 8.978 1.00 0.92 C ATOM 724 O GLU A 51 10.172 3.458 8.435 1.00 1.53 O ATOM 725 CB GLU A 51 10.962 5.451 10.921 1.00 0.90 C ATOM 726 CG GLU A 51 11.990 5.107 11.998 1.00 1.05 C ATOM 727 CD GLU A 51 11.589 5.762 13.333 1.00 1.54 C ATOM 728 OE1 GLU A 51 10.369 5.828 13.629 1.00 2.39 O ATOM 729 OE2 GLU A 51 12.503 6.243 14.032 1.00 2.22 O ATOM 0 H GLU A 51 9.750 6.461 9.132 1.00 0.78 H new ATOM 0 HA GLU A 51 12.474 5.481 9.393 1.00 0.76 H new ATOM 0 HB2 GLU A 51 10.659 6.489 11.057 1.00 0.90 H new ATOM 0 HB3 GLU A 51 10.077 4.837 11.085 1.00 0.90 H new ATOM 0 HG2 GLU A 51 12.055 4.026 12.119 1.00 1.05 H new ATOM 0 HG3 GLU A 51 12.978 5.454 11.695 1.00 1.05 H new ATOM 736 N VAL A 52 12.236 3.029 9.163 1.00 0.63 N ATOM 737 CA VAL A 52 12.344 1.732 8.533 1.00 0.70 C ATOM 738 C VAL A 52 11.574 0.731 9.371 1.00 0.72 C ATOM 739 O VAL A 52 12.082 0.194 10.346 1.00 0.80 O ATOM 740 CB VAL A 52 13.816 1.333 8.342 1.00 0.88 C ATOM 741 CG1 VAL A 52 13.935 0.125 7.406 1.00 1.06 C ATOM 742 CG2 VAL A 52 14.620 2.491 7.738 1.00 1.12 C ATOM 0 H VAL A 52 13.027 3.261 9.763 1.00 0.63 H new ATOM 0 HA VAL A 52 11.910 1.759 7.533 1.00 0.70 H new ATOM 0 HB VAL A 52 14.213 1.080 9.325 1.00 0.88 H new ATOM 0 HG11 VAL A 52 14.985 -0.140 7.285 1.00 1.06 H new ATOM 0 HG12 VAL A 52 13.394 -0.720 7.832 1.00 1.06 H new ATOM 0 HG13 VAL A 52 13.510 0.375 6.434 1.00 1.06 H new ATOM 0 HG21 VAL A 52 15.659 2.186 7.612 1.00 1.12 H new ATOM 0 HG22 VAL A 52 14.200 2.759 6.768 1.00 1.12 H new ATOM 0 HG23 VAL A 52 14.573 3.353 8.404 1.00 1.12 H new ATOM 752 N GLY A 53 10.331 0.495 8.965 1.00 0.68 N ATOM 753 CA GLY A 53 9.434 -0.440 9.629 1.00 0.74 C ATOM 754 C GLY A 53 8.227 0.274 10.222 1.00 0.85 C ATOM 755 O GLY A 53 7.377 -0.367 10.832 1.00 1.41 O ATOM 0 H GLY A 53 9.914 0.954 8.155 1.00 0.68 H new ATOM 0 HA2 GLY A 53 9.099 -1.194 8.916 1.00 0.74 H new ATOM 0 HA3 GLY A 53 9.972 -0.965 10.418 1.00 0.74 H new ATOM 759 N LYS A 54 8.103 1.590 10.032 1.00 0.45 N ATOM 760 CA LYS A 54 6.936 2.304 10.505 1.00 0.41 C ATOM 761 C LYS A 54 6.315 3.034 9.322 1.00 0.37 C ATOM 762 O LYS A 54 7.025 3.519 8.447 1.00 0.40 O ATOM 763 CB LYS A 54 7.368 3.226 11.648 1.00 0.58 C ATOM 764 CG LYS A 54 6.233 4.177 12.000 1.00 1.71 C ATOM 765 CD LYS A 54 6.419 4.866 13.355 1.00 2.16 C ATOM 766 CE LYS A 54 7.573 5.862 13.247 1.00 3.46 C ATOM 767 NZ LYS A 54 7.906 6.505 14.533 1.00 4.29 N ATOM 0 H LYS A 54 8.795 2.170 9.557 1.00 0.45 H new ATOM 0 HA LYS A 54 6.170 1.641 10.907 1.00 0.41 H new ATOM 0 HB2 LYS A 54 7.643 2.634 12.521 1.00 0.58 H new ATOM 0 HB3 LYS A 54 8.252 3.793 11.356 1.00 0.58 H new ATOM 0 HG2 LYS A 54 6.150 4.936 11.222 1.00 1.71 H new ATOM 0 HG3 LYS A 54 5.294 3.624 12.007 1.00 1.71 H new ATOM 0 HD2 LYS A 54 5.503 5.380 13.646 1.00 2.16 H new ATOM 0 HD3 LYS A 54 6.629 4.127 14.128 1.00 2.16 H new ATOM 0 HE2 LYS A 54 8.455 5.347 12.866 1.00 3.46 H new ATOM 0 HE3 LYS A 54 7.314 6.631 12.519 1.00 3.46 H new ATOM 0 HZ1 LYS A 54 7.522 7.471 14.548 1.00 4.29 H new ATOM 0 HZ2 LYS A 54 7.492 5.956 15.313 1.00 4.29 H new ATOM 0 HZ3 LYS A 54 8.939 6.541 14.646 1.00 4.29 H new ATOM 781 N ALA A 55 4.988 3.128 9.304 1.00 0.34 N ATOM 782 CA ALA A 55 4.278 3.927 8.319 1.00 0.30 C ATOM 783 C ALA A 55 3.971 5.288 8.941 1.00 0.32 C ATOM 784 O ALA A 55 3.872 5.406 10.162 1.00 0.42 O ATOM 785 CB ALA A 55 2.987 3.208 7.924 1.00 0.31 C ATOM 0 H ALA A 55 4.380 2.653 9.971 1.00 0.34 H new ATOM 0 HA ALA A 55 4.882 4.067 7.422 1.00 0.30 H new ATOM 0 HB1 ALA A 55 2.450 3.803 7.185 1.00 0.31 H new ATOM 0 HB2 ALA A 55 3.229 2.234 7.499 1.00 0.31 H new ATOM 0 HB3 ALA A 55 2.361 3.074 8.806 1.00 0.31 H new ATOM 791 N ARG A 56 3.804 6.320 8.115 1.00 0.30 N ATOM 792 CA ARG A 56 3.484 7.662 8.574 1.00 0.36 C ATOM 793 C ARG A 56 2.420 8.210 7.640 1.00 0.38 C ATOM 794 O ARG A 56 2.589 8.167 6.427 1.00 0.42 O ATOM 795 CB ARG A 56 4.751 8.529 8.551 1.00 0.51 C ATOM 796 CG ARG A 56 4.540 9.888 9.226 1.00 1.34 C ATOM 797 CD ARG A 56 5.805 10.744 9.074 1.00 1.78 C ATOM 798 NE ARG A 56 6.084 11.531 10.285 1.00 2.14 N ATOM 799 CZ ARG A 56 7.089 12.410 10.407 1.00 3.04 C ATOM 800 NH1 ARG A 56 7.331 12.974 11.591 1.00 3.33 N ATOM 801 NH2 ARG A 56 7.840 12.715 9.351 1.00 4.20 N ATOM 0 H ARG A 56 3.889 6.243 7.101 1.00 0.30 H new ATOM 0 HA ARG A 56 3.111 7.659 9.598 1.00 0.36 H new ATOM 0 HB2 ARG A 56 5.560 7.999 9.053 1.00 0.51 H new ATOM 0 HB3 ARG A 56 5.064 8.684 7.518 1.00 0.51 H new ATOM 0 HG2 ARG A 56 3.688 10.399 8.778 1.00 1.34 H new ATOM 0 HG3 ARG A 56 4.309 9.748 10.282 1.00 1.34 H new ATOM 0 HD2 ARG A 56 6.656 10.099 8.857 1.00 1.78 H new ATOM 0 HD3 ARG A 56 5.689 11.416 8.223 1.00 1.78 H new ATOM 0 HE ARG A 56 5.470 11.399 11.088 1.00 2.14 H new ATOM 0 HH11 ARG A 56 6.753 12.736 12.397 1.00 3.33 H new ATOM 0 HH12 ARG A 56 8.094 13.643 11.691 1.00 3.33 H new ATOM 0 HH21 ARG A 56 7.651 12.280 8.448 1.00 4.20 H new ATOM 0 HH22 ARG A 56 8.604 13.384 9.445 1.00 4.20 H new ATOM 815 N LEU A 57 1.311 8.697 8.186 1.00 0.42 N ATOM 816 CA LEU A 57 0.326 9.400 7.385 1.00 0.55 C ATOM 817 C LEU A 57 0.809 10.815 7.097 1.00 0.61 C ATOM 818 O LEU A 57 1.471 11.429 7.931 1.00 0.63 O ATOM 819 CB LEU A 57 -1.057 9.377 8.051 1.00 0.67 C ATOM 820 CG LEU A 57 -1.101 9.893 9.497 1.00 0.88 C ATOM 821 CD1 LEU A 57 -2.304 10.819 9.689 1.00 1.61 C ATOM 822 CD2 LEU A 57 -1.225 8.715 10.471 1.00 1.28 C ATOM 0 H LEU A 57 1.076 8.617 9.175 1.00 0.42 H new ATOM 0 HA LEU A 57 0.212 8.885 6.431 1.00 0.55 H new ATOM 0 HB2 LEU A 57 -1.741 9.975 7.449 1.00 0.67 H new ATOM 0 HB3 LEU A 57 -1.431 8.353 8.037 1.00 0.67 H new ATOM 0 HG LEU A 57 -0.180 10.441 9.696 1.00 0.88 H new ATOM 0 HD11 LEU A 57 -2.326 11.179 10.718 1.00 1.61 H new ATOM 0 HD12 LEU A 57 -2.222 11.667 9.009 1.00 1.61 H new ATOM 0 HD13 LEU A 57 -3.222 10.271 9.477 1.00 1.61 H new ATOM 0 HD21 LEU A 57 -1.255 9.090 11.494 1.00 1.28 H new ATOM 0 HD22 LEU A 57 -2.141 8.163 10.260 1.00 1.28 H new ATOM 0 HD23 LEU A 57 -0.367 8.053 10.353 1.00 1.28 H new ATOM 834 N VAL A 58 0.466 11.329 5.917 1.00 0.75 N ATOM 835 CA VAL A 58 0.793 12.668 5.480 1.00 0.85 C ATOM 836 C VAL A 58 -0.522 13.441 5.421 1.00 0.86 C ATOM 837 O VAL A 58 -1.542 12.939 4.939 1.00 0.78 O ATOM 838 CB VAL A 58 1.561 12.624 4.146 1.00 0.98 C ATOM 839 CG1 VAL A 58 2.798 11.724 4.269 1.00 1.48 C ATOM 840 CG2 VAL A 58 0.728 12.112 2.967 1.00 1.03 C ATOM 0 H VAL A 58 -0.064 10.801 5.223 1.00 0.75 H new ATOM 0 HA VAL A 58 1.466 13.180 6.168 1.00 0.85 H new ATOM 0 HB VAL A 58 1.835 13.659 3.941 1.00 0.98 H new ATOM 0 HG11 VAL A 58 3.329 11.704 3.318 1.00 1.48 H new ATOM 0 HG12 VAL A 58 3.457 12.115 5.044 1.00 1.48 H new ATOM 0 HG13 VAL A 58 2.488 10.713 4.533 1.00 1.48 H new ATOM 0 HG21 VAL A 58 1.338 12.110 2.064 1.00 1.03 H new ATOM 0 HG22 VAL A 58 0.386 11.098 3.176 1.00 1.03 H new ATOM 0 HG23 VAL A 58 -0.134 12.763 2.821 1.00 1.03 H new ATOM 850 N LYS A 59 -0.531 14.648 5.985 1.00 1.06 N ATOM 851 CA LYS A 59 -1.750 15.433 6.080 1.00 1.10 C ATOM 852 C LYS A 59 -2.013 16.117 4.746 1.00 0.98 C ATOM 853 O LYS A 59 -1.679 17.283 4.572 1.00 1.39 O ATOM 854 CB LYS A 59 -1.613 16.487 7.183 1.00 1.71 C ATOM 855 CG LYS A 59 -1.688 15.885 8.588 1.00 2.05 C ATOM 856 CD LYS A 59 -1.538 17.016 9.615 1.00 2.48 C ATOM 857 CE LYS A 59 -2.639 16.938 10.675 1.00 3.62 C ATOM 858 NZ LYS A 59 -2.900 18.262 11.282 1.00 4.54 N ATOM 0 H LYS A 59 0.294 15.099 6.381 1.00 1.06 H new ATOM 0 HA LYS A 59 -2.583 14.774 6.325 1.00 1.10 H new ATOM 0 HB2 LYS A 59 -0.663 17.008 7.066 1.00 1.71 H new ATOM 0 HB3 LYS A 59 -2.401 17.231 7.069 1.00 1.71 H new ATOM 0 HG2 LYS A 59 -2.638 15.370 8.729 1.00 2.05 H new ATOM 0 HG3 LYS A 59 -0.901 15.144 8.724 1.00 2.05 H new ATOM 0 HD2 LYS A 59 -0.561 16.951 10.094 1.00 2.48 H new ATOM 0 HD3 LYS A 59 -1.582 17.981 9.109 1.00 2.48 H new ATOM 0 HE2 LYS A 59 -3.555 16.557 10.223 1.00 3.62 H new ATOM 0 HE3 LYS A 59 -2.348 16.231 11.452 1.00 3.62 H new ATOM 0 HZ1 LYS A 59 -3.651 18.175 11.996 1.00 4.54 H new ATOM 0 HZ2 LYS A 59 -2.032 18.614 11.734 1.00 4.54 H new ATOM 0 HZ3 LYS A 59 -3.201 18.929 10.543 1.00 4.54 H new ATOM 872 N GLY A 60 -2.650 15.416 3.815 1.00 0.79 N ATOM 873 CA GLY A 60 -3.063 16.028 2.581 1.00 1.03 C ATOM 874 C GLY A 60 -4.272 16.907 2.865 1.00 0.84 C ATOM 875 O GLY A 60 -5.286 16.443 3.381 1.00 0.77 O ATOM 0 H GLY A 60 -2.886 14.427 3.901 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -2.251 16.623 2.162 1.00 1.03 H new ATOM 0 HA3 GLY A 60 -3.313 15.265 1.844 1.00 1.03 H new ATOM 879 N ALA A 61 -4.182 18.180 2.497 1.00 0.92 N ATOM 880 CA ALA A 61 -5.313 19.102 2.543 1.00 0.92 C ATOM 881 C ALA A 61 -6.510 18.538 1.774 1.00 0.80 C ATOM 882 O ALA A 61 -7.655 18.690 2.189 1.00 0.82 O ATOM 883 CB ALA A 61 -4.899 20.460 1.973 1.00 1.18 C ATOM 0 H ALA A 61 -3.319 18.604 2.157 1.00 0.92 H new ATOM 0 HA ALA A 61 -5.615 19.231 3.582 1.00 0.92 H new ATOM 0 HB1 ALA A 61 -5.747 21.144 2.010 1.00 1.18 H new ATOM 0 HB2 ALA A 61 -4.078 20.867 2.563 1.00 1.18 H new ATOM 0 HB3 ALA A 61 -4.576 20.338 0.939 1.00 1.18 H new ATOM 889 N ALA A 62 -6.237 17.889 0.640 1.00 0.82 N ATOM 890 CA ALA A 62 -7.255 17.250 -0.180 1.00 0.89 C ATOM 891 C ALA A 62 -7.919 16.096 0.585 1.00 0.88 C ATOM 892 O ALA A 62 -9.140 15.955 0.542 1.00 0.96 O ATOM 893 CB ALA A 62 -6.611 16.784 -1.492 1.00 1.06 C ATOM 0 H ALA A 62 -5.293 17.794 0.266 1.00 0.82 H new ATOM 0 HA ALA A 62 -8.047 17.960 -0.418 1.00 0.89 H new ATOM 0 HB1 ALA A 62 -7.364 16.303 -2.116 1.00 1.06 H new ATOM 0 HB2 ALA A 62 -6.197 17.643 -2.020 1.00 1.06 H new ATOM 0 HB3 ALA A 62 -5.813 16.074 -1.274 1.00 1.06 H new ATOM 899 N LYS A 63 -7.128 15.247 1.250 1.00 0.83 N ATOM 900 CA LYS A 63 -7.532 14.254 2.223 1.00 0.95 C ATOM 901 C LYS A 63 -6.282 13.684 2.887 1.00 0.74 C ATOM 902 O LYS A 63 -5.181 13.868 2.377 1.00 0.60 O ATOM 903 CB LYS A 63 -8.322 13.158 1.528 1.00 1.37 C ATOM 904 CG LYS A 63 -7.606 12.472 0.358 1.00 1.48 C ATOM 905 CD LYS A 63 -8.557 11.581 -0.452 1.00 2.47 C ATOM 906 CE LYS A 63 -9.708 12.386 -1.078 1.00 3.31 C ATOM 907 NZ LYS A 63 -10.969 12.288 -0.310 1.00 3.17 N ATOM 0 H LYS A 63 -6.118 15.244 1.104 1.00 0.83 H new ATOM 0 HA LYS A 63 -8.167 14.703 2.986 1.00 0.95 H new ATOM 0 HB2 LYS A 63 -8.585 12.400 2.266 1.00 1.37 H new ATOM 0 HB3 LYS A 63 -9.256 13.584 1.161 1.00 1.37 H new ATOM 0 HG2 LYS A 63 -7.172 13.229 -0.296 1.00 1.48 H new ATOM 0 HG3 LYS A 63 -6.781 11.870 0.740 1.00 1.48 H new ATOM 0 HD2 LYS A 63 -7.998 11.076 -1.239 1.00 2.47 H new ATOM 0 HD3 LYS A 63 -8.967 10.806 0.195 1.00 2.47 H new ATOM 0 HE2 LYS A 63 -9.414 13.433 -1.150 1.00 3.31 H new ATOM 0 HE3 LYS A 63 -9.880 12.032 -2.095 1.00 3.31 H new ATOM 0 HZ1 LYS A 63 -11.485 13.189 -0.374 1.00 3.17 H new ATOM 0 HZ2 LYS A 63 -11.556 11.524 -0.702 1.00 3.17 H new ATOM 0 HZ3 LYS A 63 -10.754 12.082 0.686 1.00 3.17 H new ATOM 921 N HIS A 64 -6.436 12.961 3.995 1.00 0.89 N ATOM 922 CA HIS A 64 -5.310 12.258 4.591 1.00 0.80 C ATOM 923 C HIS A 64 -4.850 11.140 3.654 1.00 0.66 C ATOM 924 O HIS A 64 -5.676 10.464 3.043 1.00 0.69 O ATOM 925 CB HIS A 64 -5.718 11.686 5.952 1.00 1.06 C ATOM 926 CG HIS A 64 -6.087 12.732 6.978 1.00 1.35 C ATOM 927 ND1 HIS A 64 -6.858 12.517 8.099 1.00 1.55 N ATOM 928 CD2 HIS A 64 -5.708 14.051 6.983 1.00 1.57 C ATOM 929 CE1 HIS A 64 -6.936 13.684 8.764 1.00 1.84 C ATOM 930 NE2 HIS A 64 -6.246 14.643 8.129 1.00 1.86 N ATOM 0 H HIS A 64 -7.320 12.849 4.491 1.00 0.89 H new ATOM 0 HA HIS A 64 -4.483 12.953 4.740 1.00 0.80 H new ATOM 0 HB2 HIS A 64 -6.566 11.015 5.812 1.00 1.06 H new ATOM 0 HB3 HIS A 64 -4.897 11.085 6.342 1.00 1.06 H new ATOM 0 HD2 HIS A 64 -5.103 14.543 6.236 1.00 1.57 H new ATOM 0 HE1 HIS A 64 -7.481 13.829 9.685 1.00 1.84 H new ATOM 0 HE2 HIS A 64 -6.136 15.613 8.424 1.00 1.86 H new ATOM 938 N ILE A 65 -3.536 10.928 3.572 1.00 0.57 N ATOM 939 CA ILE A 65 -2.930 9.818 2.845 1.00 0.48 C ATOM 940 C ILE A 65 -2.055 9.072 3.849 1.00 0.45 C ATOM 941 O ILE A 65 -1.617 9.655 4.839 1.00 0.61 O ATOM 942 CB ILE A 65 -2.161 10.347 1.607 1.00 0.46 C ATOM 943 CG1 ILE A 65 -3.087 10.582 0.399 1.00 0.64 C ATOM 944 CG2 ILE A 65 -1.060 9.405 1.107 1.00 0.57 C ATOM 945 CD1 ILE A 65 -3.711 11.967 0.397 1.00 0.96 C ATOM 0 H ILE A 65 -2.851 11.537 4.019 1.00 0.57 H new ATOM 0 HA ILE A 65 -3.668 9.125 2.441 1.00 0.48 H new ATOM 0 HB ILE A 65 -1.722 11.277 1.968 1.00 0.46 H new ATOM 0 HG12 ILE A 65 -2.519 10.443 -0.521 1.00 0.64 H new ATOM 0 HG13 ILE A 65 -3.878 9.832 0.402 1.00 0.64 H new ATOM 0 HG21 ILE A 65 -0.570 9.847 0.239 1.00 0.57 H new ATOM 0 HG22 ILE A 65 -0.327 9.250 1.898 1.00 0.57 H new ATOM 0 HG23 ILE A 65 -1.500 8.448 0.827 1.00 0.57 H new ATOM 0 HD11 ILE A 65 -4.353 12.075 -0.477 1.00 0.96 H new ATOM 0 HD12 ILE A 65 -4.304 12.100 1.302 1.00 0.96 H new ATOM 0 HD13 ILE A 65 -2.924 12.721 0.365 1.00 0.96 H new ATOM 957 N ILE A 66 -1.793 7.787 3.617 1.00 0.35 N ATOM 958 CA ILE A 66 -0.926 6.971 4.452 1.00 0.34 C ATOM 959 C ILE A 66 0.280 6.625 3.593 1.00 0.33 C ATOM 960 O ILE A 66 0.108 6.286 2.425 1.00 0.36 O ATOM 961 CB ILE A 66 -1.646 5.696 4.924 1.00 0.39 C ATOM 962 CG1 ILE A 66 -3.098 5.928 5.380 1.00 0.45 C ATOM 963 CG2 ILE A 66 -0.845 5.006 6.038 1.00 0.43 C ATOM 964 CD1 ILE A 66 -3.241 6.867 6.578 1.00 0.45 C ATOM 0 H ILE A 66 -2.188 7.278 2.826 1.00 0.35 H new ATOM 0 HA ILE A 66 -0.632 7.508 5.354 1.00 0.34 H new ATOM 0 HB ILE A 66 -1.703 5.047 4.050 1.00 0.39 H new ATOM 0 HG12 ILE A 66 -3.668 6.335 4.545 1.00 0.45 H new ATOM 0 HG13 ILE A 66 -3.545 4.966 5.632 1.00 0.45 H new ATOM 0 HG21 ILE A 66 -1.369 4.106 6.359 1.00 0.43 H new ATOM 0 HG22 ILE A 66 0.142 4.736 5.663 1.00 0.43 H new ATOM 0 HG23 ILE A 66 -0.738 5.685 6.884 1.00 0.43 H new ATOM 0 HD11 ILE A 66 -4.295 6.974 6.832 1.00 0.45 H new ATOM 0 HD12 ILE A 66 -2.702 6.454 7.431 1.00 0.45 H new ATOM 0 HD13 ILE A 66 -2.827 7.843 6.326 1.00 0.45 H new ATOM 976 N HIS A 67 1.490 6.681 4.141 1.00 0.33 N ATOM 977 CA HIS A 67 2.694 6.293 3.420 1.00 0.39 C ATOM 978 C HIS A 67 3.347 5.149 4.183 1.00 0.38 C ATOM 979 O HIS A 67 3.488 5.212 5.403 1.00 0.44 O ATOM 980 CB HIS A 67 3.661 7.475 3.272 1.00 0.54 C ATOM 981 CG HIS A 67 3.425 8.397 2.098 1.00 1.00 C ATOM 982 ND1 HIS A 67 4.298 9.371 1.667 1.00 1.72 N ATOM 983 CD2 HIS A 67 2.366 8.386 1.228 1.00 1.64 C ATOM 984 CE1 HIS A 67 3.770 9.931 0.562 1.00 2.30 C ATOM 985 NE2 HIS A 67 2.595 9.363 0.254 1.00 2.33 N ATOM 0 H HIS A 67 1.662 6.996 5.096 1.00 0.33 H new ATOM 0 HA HIS A 67 2.434 5.973 2.411 1.00 0.39 H new ATOM 0 HB2 HIS A 67 3.617 8.068 4.186 1.00 0.54 H new ATOM 0 HB3 HIS A 67 4.674 7.080 3.197 1.00 0.54 H new ATOM 0 HD2 HIS A 67 1.505 7.736 1.285 1.00 1.64 H new ATOM 0 HE1 HIS A 67 4.231 10.730 -0.000 1.00 2.30 H new ATOM 0 HE2 HIS A 67 1.990 9.597 -0.533 1.00 2.33 H new ATOM 993 N ALA A 68 3.742 4.101 3.461 1.00 0.40 N ATOM 994 CA ALA A 68 4.291 2.882 4.032 1.00 0.41 C ATOM 995 C ALA A 68 5.736 2.689 3.573 1.00 0.36 C ATOM 996 O ALA A 68 6.148 3.208 2.532 1.00 0.46 O ATOM 997 CB ALA A 68 3.418 1.697 3.605 1.00 0.54 C ATOM 0 H ALA A 68 3.686 4.080 2.443 1.00 0.40 H new ATOM 0 HA ALA A 68 4.293 2.950 5.120 1.00 0.41 H new ATOM 0 HB1 ALA A 68 3.821 0.777 4.028 1.00 0.54 H new ATOM 0 HB2 ALA A 68 2.400 1.847 3.965 1.00 0.54 H new ATOM 0 HB3 ALA A 68 3.411 1.624 2.518 1.00 0.54 H new ATOM 1003 N VAL A 69 6.509 1.909 4.332 1.00 0.46 N ATOM 1004 CA VAL A 69 7.881 1.611 4.021 1.00 0.51 C ATOM 1005 C VAL A 69 7.946 0.134 3.672 1.00 0.61 C ATOM 1006 O VAL A 69 7.723 -0.707 4.534 1.00 0.75 O ATOM 1007 CB VAL A 69 8.757 2.026 5.215 1.00 0.59 C ATOM 1008 CG1 VAL A 69 10.152 1.427 5.093 1.00 1.31 C ATOM 1009 CG2 VAL A 69 8.772 3.554 5.277 1.00 1.36 C ATOM 0 H VAL A 69 6.180 1.467 5.190 1.00 0.46 H new ATOM 0 HA VAL A 69 8.264 2.167 3.165 1.00 0.51 H new ATOM 0 HB VAL A 69 8.349 1.641 6.150 1.00 0.59 H new ATOM 0 HG11 VAL A 69 10.755 1.733 5.948 1.00 1.31 H new ATOM 0 HG12 VAL A 69 10.080 0.340 5.070 1.00 1.31 H new ATOM 0 HG13 VAL A 69 10.620 1.779 4.174 1.00 1.31 H new ATOM 0 HG21 VAL A 69 9.387 3.878 6.116 1.00 1.36 H new ATOM 0 HG22 VAL A 69 9.185 3.952 4.350 1.00 1.36 H new ATOM 0 HG23 VAL A 69 7.755 3.923 5.409 1.00 1.36 H new ATOM 1019 N GLY A 70 8.203 -0.173 2.400 1.00 0.74 N ATOM 1020 CA GLY A 70 8.238 -1.540 1.920 1.00 0.89 C ATOM 1021 C GLY A 70 9.687 -1.989 1.774 1.00 1.16 C ATOM 1022 O GLY A 70 10.546 -1.196 1.375 1.00 1.41 O ATOM 0 H GLY A 70 8.392 0.524 1.680 1.00 0.74 H new ATOM 0 HA2 GLY A 70 7.711 -2.194 2.615 1.00 0.89 H new ATOM 0 HA3 GLY A 70 7.725 -1.614 0.961 1.00 0.89 H new ATOM 1026 N PRO A 71 9.974 -3.260 2.074 1.00 1.52 N ATOM 1027 CA PRO A 71 11.285 -3.828 1.851 1.00 1.84 C ATOM 1028 C PRO A 71 11.535 -3.992 0.364 1.00 1.29 C ATOM 1029 O PRO A 71 10.649 -3.803 -0.467 1.00 1.02 O ATOM 1030 CB PRO A 71 11.278 -5.185 2.537 1.00 2.51 C ATOM 1031 CG PRO A 71 9.802 -5.582 2.524 1.00 2.46 C ATOM 1032 CD PRO A 71 9.041 -4.259 2.556 1.00 1.92 C ATOM 0 HA PRO A 71 12.073 -3.187 2.247 1.00 1.84 H new ATOM 0 HB2 PRO A 71 11.893 -5.909 2.002 1.00 2.51 H new ATOM 0 HB3 PRO A 71 11.668 -5.124 3.553 1.00 2.51 H new ATOM 0 HG2 PRO A 71 9.555 -6.158 1.632 1.00 2.46 H new ATOM 0 HG3 PRO A 71 9.552 -6.203 3.384 1.00 2.46 H new ATOM 0 HD2 PRO A 71 8.153 -4.302 1.925 1.00 1.92 H new ATOM 0 HD3 PRO A 71 8.704 -4.025 3.566 1.00 1.92 H new ATOM 1040 N ASN A 72 12.771 -4.346 0.025 1.00 1.37 N ATOM 1041 CA ASN A 72 13.190 -4.420 -1.352 1.00 1.06 C ATOM 1042 C ASN A 72 14.114 -5.626 -1.422 1.00 0.97 C ATOM 1043 O ASN A 72 15.301 -5.469 -1.166 1.00 0.96 O ATOM 1044 CB ASN A 72 13.906 -3.112 -1.749 1.00 1.25 C ATOM 1045 CG ASN A 72 13.013 -1.883 -1.585 1.00 1.80 C ATOM 1046 OD1 ASN A 72 12.437 -1.389 -2.544 1.00 2.32 O ATOM 1047 ND2 ASN A 72 12.880 -1.374 -0.365 1.00 3.42 N ATOM 0 H ASN A 72 13.498 -4.586 0.699 1.00 1.37 H new ATOM 0 HA ASN A 72 12.358 -4.533 -2.047 1.00 1.06 H new ATOM 0 HB2 ASN A 72 14.800 -2.991 -1.138 1.00 1.25 H new ATOM 0 HB3 ASN A 72 14.235 -3.182 -2.786 1.00 1.25 H new ATOM 0 HD21 ASN A 72 12.289 -0.556 -0.215 1.00 3.42 H new ATOM 0 HD22 ASN A 72 13.369 -1.801 0.422 1.00 3.42 H new ATOM 1054 N PHE A 73 13.604 -6.829 -1.707 1.00 1.01 N ATOM 1055 CA PHE A 73 14.429 -8.035 -1.859 1.00 1.06 C ATOM 1056 C PHE A 73 15.518 -7.832 -2.918 1.00 0.96 C ATOM 1057 O PHE A 73 16.596 -8.411 -2.835 1.00 1.07 O ATOM 1058 CB PHE A 73 13.563 -9.271 -2.143 1.00 1.21 C ATOM 1059 CG PHE A 73 14.337 -10.571 -2.268 1.00 2.50 C ATOM 1060 CD1 PHE A 73 14.613 -11.343 -1.127 1.00 3.55 C ATOM 1061 CD2 PHE A 73 14.768 -11.020 -3.531 1.00 3.65 C ATOM 1062 CE1 PHE A 73 15.312 -12.559 -1.249 1.00 4.84 C ATOM 1063 CE2 PHE A 73 15.469 -12.233 -3.653 1.00 5.00 C ATOM 1064 CZ PHE A 73 15.738 -13.005 -2.510 1.00 5.36 C ATOM 0 H PHE A 73 12.606 -6.995 -1.839 1.00 1.01 H new ATOM 0 HA PHE A 73 14.938 -8.217 -0.912 1.00 1.06 H new ATOM 0 HB2 PHE A 73 12.830 -9.376 -1.343 1.00 1.21 H new ATOM 0 HB3 PHE A 73 13.007 -9.104 -3.066 1.00 1.21 H new ATOM 0 HD1 PHE A 73 14.288 -11.003 -0.155 1.00 3.55 H new ATOM 0 HD2 PHE A 73 14.559 -10.430 -4.411 1.00 3.65 H new ATOM 0 HE1 PHE A 73 15.521 -13.150 -0.370 1.00 4.84 H new ATOM 0 HE2 PHE A 73 15.800 -12.571 -4.624 1.00 5.00 H new ATOM 0 HZ PHE A 73 16.271 -13.940 -2.602 1.00 5.36 H new ATOM 1074 N ASN A 74 15.305 -6.928 -3.873 1.00 0.85 N ATOM 1075 CA ASN A 74 16.311 -6.599 -4.875 1.00 0.86 C ATOM 1076 C ASN A 74 17.606 -6.060 -4.235 1.00 0.97 C ATOM 1077 O ASN A 74 18.676 -6.060 -4.841 1.00 1.26 O ATOM 1078 CB ASN A 74 15.699 -5.602 -5.868 1.00 0.82 C ATOM 1079 CG ASN A 74 16.330 -5.662 -7.249 1.00 1.20 C ATOM 1080 OD1 ASN A 74 17.188 -6.484 -7.536 1.00 2.02 O ATOM 1081 ND2 ASN A 74 15.862 -4.812 -8.155 1.00 1.69 N ATOM 0 H ASN A 74 14.434 -6.407 -3.972 1.00 0.85 H new ATOM 0 HA ASN A 74 16.602 -7.504 -5.408 1.00 0.86 H new ATOM 0 HB2 ASN A 74 14.630 -5.798 -5.956 1.00 0.82 H new ATOM 0 HB3 ASN A 74 15.807 -4.593 -5.471 1.00 0.82 H new ATOM 0 HD21 ASN A 74 16.218 -4.838 -9.110 1.00 1.69 H new ATOM 0 HD22 ASN A 74 15.146 -4.133 -7.896 1.00 1.69 H new ATOM 1088 N LYS A 75 17.515 -5.589 -2.988 1.00 0.87 N ATOM 1089 CA LYS A 75 18.626 -5.114 -2.178 1.00 0.95 C ATOM 1090 C LYS A 75 18.539 -5.618 -0.730 1.00 0.91 C ATOM 1091 O LYS A 75 19.214 -5.067 0.135 1.00 0.94 O ATOM 1092 CB LYS A 75 18.632 -3.577 -2.234 1.00 1.07 C ATOM 1093 CG LYS A 75 19.494 -3.055 -3.388 1.00 1.30 C ATOM 1094 CD LYS A 75 20.973 -3.398 -3.156 1.00 2.27 C ATOM 1095 CE LYS A 75 21.483 -4.342 -4.250 1.00 2.76 C ATOM 1096 NZ LYS A 75 22.796 -4.924 -3.899 1.00 4.56 N ATOM 0 H LYS A 75 16.622 -5.528 -2.499 1.00 0.87 H new ATOM 0 HA LYS A 75 19.560 -5.508 -2.578 1.00 0.95 H new ATOM 0 HB2 LYS A 75 17.611 -3.213 -2.349 1.00 1.07 H new ATOM 0 HB3 LYS A 75 19.008 -3.180 -1.291 1.00 1.07 H new ATOM 0 HG2 LYS A 75 19.157 -3.492 -4.328 1.00 1.30 H new ATOM 0 HG3 LYS A 75 19.375 -1.975 -3.478 1.00 1.30 H new ATOM 0 HD2 LYS A 75 21.568 -2.484 -3.150 1.00 2.27 H new ATOM 0 HD3 LYS A 75 21.095 -3.865 -2.179 1.00 2.27 H new ATOM 0 HE2 LYS A 75 20.760 -5.142 -4.407 1.00 2.76 H new ATOM 0 HE3 LYS A 75 21.565 -3.798 -5.191 1.00 2.76 H new ATOM 0 HZ1 LYS A 75 23.110 -5.557 -4.662 1.00 4.56 H new ATOM 0 HZ2 LYS A 75 23.492 -4.161 -3.774 1.00 4.56 H new ATOM 0 HZ3 LYS A 75 22.711 -5.464 -3.014 1.00 4.56 H new ATOM 1110 N VAL A 76 17.758 -6.660 -0.442 1.00 0.92 N ATOM 1111 CA VAL A 76 17.598 -7.139 0.935 1.00 1.00 C ATOM 1112 C VAL A 76 17.268 -8.635 0.924 1.00 0.90 C ATOM 1113 O VAL A 76 16.941 -9.175 -0.125 1.00 1.07 O ATOM 1114 CB VAL A 76 16.570 -6.249 1.677 1.00 1.12 C ATOM 1115 CG1 VAL A 76 15.162 -6.833 1.846 1.00 0.86 C ATOM 1116 CG2 VAL A 76 17.093 -5.901 3.070 1.00 1.56 C ATOM 0 H VAL A 76 17.229 -7.187 -1.137 1.00 0.92 H new ATOM 0 HA VAL A 76 18.527 -7.048 1.498 1.00 1.00 H new ATOM 0 HB VAL A 76 16.465 -5.379 1.028 1.00 1.12 H new ATOM 0 HG11 VAL A 76 14.534 -6.119 2.379 1.00 0.86 H new ATOM 0 HG12 VAL A 76 14.731 -7.034 0.865 1.00 0.86 H new ATOM 0 HG13 VAL A 76 15.219 -7.762 2.414 1.00 0.86 H new ATOM 0 HG21 VAL A 76 16.365 -5.275 3.586 1.00 1.56 H new ATOM 0 HG22 VAL A 76 17.251 -6.817 3.639 1.00 1.56 H new ATOM 0 HG23 VAL A 76 18.036 -5.362 2.980 1.00 1.56 H new ATOM 1126 N SER A 77 17.373 -9.335 2.056 1.00 0.77 N ATOM 1127 CA SER A 77 17.084 -10.763 2.093 1.00 0.77 C ATOM 1128 C SER A 77 15.642 -10.969 2.529 1.00 0.70 C ATOM 1129 O SER A 77 15.079 -10.121 3.216 1.00 0.66 O ATOM 1130 CB SER A 77 18.051 -11.459 3.052 1.00 0.91 C ATOM 1131 OG SER A 77 17.812 -12.853 3.052 1.00 2.62 O ATOM 0 H SER A 77 17.654 -8.936 2.952 1.00 0.77 H new ATOM 0 HA SER A 77 17.215 -11.197 1.102 1.00 0.77 H new ATOM 0 HB2 SER A 77 19.080 -11.258 2.754 1.00 0.91 H new ATOM 0 HB3 SER A 77 17.928 -11.060 4.059 1.00 0.91 H new ATOM 0 HG SER A 77 18.436 -13.292 3.667 1.00 2.62 H new ATOM 1137 N GLU A 78 15.067 -12.126 2.196 1.00 0.74 N ATOM 1138 CA GLU A 78 13.696 -12.492 2.546 1.00 0.74 C ATOM 1139 C GLU A 78 13.487 -12.460 4.055 1.00 0.69 C ATOM 1140 O GLU A 78 12.378 -12.247 4.523 1.00 0.67 O ATOM 1141 CB GLU A 78 13.367 -13.900 2.018 1.00 0.86 C ATOM 1142 CG GLU A 78 12.530 -13.881 0.734 1.00 1.04 C ATOM 1143 CD GLU A 78 11.113 -13.360 0.972 1.00 2.54 C ATOM 1144 OE1 GLU A 78 10.977 -12.119 1.062 1.00 4.02 O ATOM 1145 OE2 GLU A 78 10.197 -14.208 1.038 1.00 3.13 O ATOM 0 H GLU A 78 15.553 -12.849 1.665 1.00 0.74 H new ATOM 0 HA GLU A 78 13.031 -11.763 2.084 1.00 0.74 H new ATOM 0 HB2 GLU A 78 14.297 -14.437 1.831 1.00 0.86 H new ATOM 0 HB3 GLU A 78 12.828 -14.453 2.787 1.00 0.86 H new ATOM 0 HG2 GLU A 78 13.024 -13.256 -0.010 1.00 1.04 H new ATOM 0 HG3 GLU A 78 12.480 -14.888 0.321 1.00 1.04 H new ATOM 1152 N VAL A 79 14.539 -12.669 4.843 1.00 0.71 N ATOM 1153 CA VAL A 79 14.396 -12.645 6.291 1.00 0.73 C ATOM 1154 C VAL A 79 14.054 -11.224 6.733 1.00 0.69 C ATOM 1155 O VAL A 79 13.221 -11.012 7.613 1.00 0.71 O ATOM 1156 CB VAL A 79 15.695 -13.159 6.933 1.00 0.83 C ATOM 1157 CG1 VAL A 79 15.666 -13.121 8.471 1.00 0.94 C ATOM 1158 CG2 VAL A 79 15.986 -14.594 6.473 1.00 0.88 C ATOM 0 H VAL A 79 15.484 -12.854 4.508 1.00 0.71 H new ATOM 0 HA VAL A 79 13.586 -13.298 6.615 1.00 0.73 H new ATOM 0 HB VAL A 79 16.485 -12.484 6.602 1.00 0.83 H new ATOM 0 HG11 VAL A 79 16.612 -13.496 8.862 1.00 0.94 H new ATOM 0 HG12 VAL A 79 15.516 -12.095 8.807 1.00 0.94 H new ATOM 0 HG13 VAL A 79 14.850 -13.745 8.835 1.00 0.94 H new ATOM 0 HG21 VAL A 79 16.909 -14.944 6.936 1.00 0.88 H new ATOM 0 HG22 VAL A 79 15.163 -15.245 6.768 1.00 0.88 H new ATOM 0 HG23 VAL A 79 16.094 -14.614 5.389 1.00 0.88 H new ATOM 1168 N GLU A 80 14.706 -10.234 6.132 1.00 0.66 N ATOM 1169 CA GLU A 80 14.458 -8.849 6.480 1.00 0.62 C ATOM 1170 C GLU A 80 13.190 -8.362 5.805 1.00 0.55 C ATOM 1171 O GLU A 80 12.492 -7.526 6.362 1.00 0.51 O ATOM 1172 CB GLU A 80 15.674 -8.004 6.072 1.00 0.67 C ATOM 1173 CG GLU A 80 15.802 -6.705 6.874 1.00 0.85 C ATOM 1174 CD GLU A 80 16.337 -6.975 8.283 1.00 1.67 C ATOM 1175 OE1 GLU A 80 15.692 -7.773 9.003 1.00 2.99 O ATOM 1176 OE2 GLU A 80 17.401 -6.418 8.622 1.00 2.28 O ATOM 0 H GLU A 80 15.407 -10.370 5.404 1.00 0.66 H new ATOM 0 HA GLU A 80 14.314 -8.754 7.556 1.00 0.62 H new ATOM 0 HB2 GLU A 80 16.580 -8.595 6.204 1.00 0.67 H new ATOM 0 HB3 GLU A 80 15.602 -7.763 5.011 1.00 0.67 H new ATOM 0 HG2 GLU A 80 16.470 -6.018 6.354 1.00 0.85 H new ATOM 0 HG3 GLU A 80 14.829 -6.217 6.939 1.00 0.85 H new ATOM 1183 N GLY A 81 12.865 -8.886 4.625 1.00 0.59 N ATOM 1184 CA GLY A 81 11.682 -8.467 3.909 1.00 0.54 C ATOM 1185 C GLY A 81 10.421 -9.052 4.507 1.00 0.50 C ATOM 1186 O GLY A 81 9.385 -8.418 4.412 1.00 0.47 O ATOM 0 H GLY A 81 13.413 -9.604 4.150 1.00 0.59 H new ATOM 0 HA2 GLY A 81 11.618 -7.379 3.920 1.00 0.54 H new ATOM 0 HA3 GLY A 81 11.763 -8.771 2.865 1.00 0.54 H new ATOM 1190 N ASP A 82 10.468 -10.223 5.138 1.00 0.55 N ATOM 1191 CA ASP A 82 9.283 -10.739 5.804 1.00 0.57 C ATOM 1192 C ASP A 82 8.957 -9.821 6.972 1.00 0.50 C ATOM 1193 O ASP A 82 7.824 -9.363 7.119 1.00 0.48 O ATOM 1194 CB ASP A 82 9.507 -12.175 6.277 1.00 0.74 C ATOM 1195 CG ASP A 82 8.293 -12.674 7.061 1.00 1.02 C ATOM 1196 OD1 ASP A 82 8.476 -12.963 8.263 1.00 1.75 O ATOM 1197 OD2 ASP A 82 7.203 -12.753 6.449 1.00 2.46 O ATOM 0 H ASP A 82 11.294 -10.818 5.200 1.00 0.55 H new ATOM 0 HA ASP A 82 8.444 -10.760 5.109 1.00 0.57 H new ATOM 0 HB2 ASP A 82 9.685 -12.823 5.419 1.00 0.74 H new ATOM 0 HB3 ASP A 82 10.397 -12.223 6.904 1.00 0.74 H new ATOM 1202 N LYS A 83 9.969 -9.478 7.776 1.00 0.50 N ATOM 1203 CA LYS A 83 9.729 -8.595 8.905 1.00 0.45 C ATOM 1204 C LYS A 83 9.274 -7.238 8.417 1.00 0.40 C ATOM 1205 O LYS A 83 8.251 -6.757 8.874 1.00 0.39 O ATOM 1206 CB LYS A 83 10.965 -8.472 9.792 1.00 0.51 C ATOM 1207 CG LYS A 83 10.987 -9.615 10.816 1.00 0.64 C ATOM 1208 CD LYS A 83 12.334 -9.664 11.537 1.00 1.08 C ATOM 1209 CE LYS A 83 13.377 -10.243 10.577 1.00 2.25 C ATOM 1210 NZ LYS A 83 14.628 -9.461 10.576 1.00 3.14 N ATOM 0 H LYS A 83 10.933 -9.791 7.666 1.00 0.50 H new ATOM 0 HA LYS A 83 8.937 -9.030 9.514 1.00 0.45 H new ATOM 0 HB2 LYS A 83 11.867 -8.502 9.181 1.00 0.51 H new ATOM 0 HB3 LYS A 83 10.960 -7.511 10.306 1.00 0.51 H new ATOM 0 HG2 LYS A 83 10.185 -9.477 11.541 1.00 0.64 H new ATOM 0 HG3 LYS A 83 10.802 -10.565 10.314 1.00 0.64 H new ATOM 0 HD2 LYS A 83 12.628 -8.665 11.859 1.00 1.08 H new ATOM 0 HD3 LYS A 83 12.262 -10.279 12.434 1.00 1.08 H new ATOM 0 HE2 LYS A 83 13.595 -11.273 10.858 1.00 2.25 H new ATOM 0 HE3 LYS A 83 12.965 -10.268 9.568 1.00 2.25 H new ATOM 0 HZ1 LYS A 83 15.441 -10.107 10.531 1.00 3.14 H new ATOM 0 HZ2 LYS A 83 14.642 -8.829 9.750 1.00 3.14 H new ATOM 0 HZ3 LYS A 83 14.684 -8.894 11.446 1.00 3.14 H new ATOM 1224 N GLN A 84 9.992 -6.624 7.485 1.00 0.41 N ATOM 1225 CA GLN A 84 9.678 -5.287 7.005 1.00 0.42 C ATOM 1226 C GLN A 84 8.295 -5.266 6.375 1.00 0.43 C ATOM 1227 O GLN A 84 7.550 -4.303 6.532 1.00 0.47 O ATOM 1228 CB GLN A 84 10.713 -4.891 5.955 1.00 0.49 C ATOM 1229 CG GLN A 84 11.975 -4.278 6.557 1.00 1.63 C ATOM 1230 CD GLN A 84 11.771 -2.783 6.752 1.00 2.33 C ATOM 1231 OE1 GLN A 84 11.998 -1.992 5.840 1.00 2.38 O ATOM 1232 NE2 GLN A 84 11.312 -2.366 7.919 1.00 3.38 N ATOM 0 H GLN A 84 10.810 -7.041 7.041 1.00 0.41 H new ATOM 0 HA GLN A 84 9.695 -4.588 7.841 1.00 0.42 H new ATOM 0 HB2 GLN A 84 10.986 -5.771 5.373 1.00 0.49 H new ATOM 0 HB3 GLN A 84 10.265 -4.178 5.263 1.00 0.49 H new ATOM 0 HG2 GLN A 84 12.202 -4.752 7.512 1.00 1.63 H new ATOM 0 HG3 GLN A 84 12.827 -4.457 5.901 1.00 1.63 H new ATOM 0 HE21 GLN A 84 11.129 -3.038 8.665 1.00 3.38 H new ATOM 0 HE22 GLN A 84 11.140 -1.373 8.074 1.00 3.38 H new ATOM 1241 N LEU A 85 7.943 -6.316 5.636 1.00 0.44 N ATOM 1242 CA LEU A 85 6.645 -6.362 4.985 1.00 0.49 C ATOM 1243 C LEU A 85 5.566 -6.434 6.058 1.00 0.46 C ATOM 1244 O LEU A 85 4.533 -5.776 5.945 1.00 0.49 O ATOM 1245 CB LEU A 85 6.596 -7.542 4.000 1.00 0.55 C ATOM 1246 CG LEU A 85 5.322 -7.632 3.151 1.00 0.63 C ATOM 1247 CD1 LEU A 85 5.065 -6.318 2.402 1.00 0.98 C ATOM 1248 CD2 LEU A 85 5.488 -8.753 2.123 1.00 0.87 C ATOM 0 H LEU A 85 8.532 -7.133 5.477 1.00 0.44 H new ATOM 0 HA LEU A 85 6.469 -5.462 4.396 1.00 0.49 H new ATOM 0 HB2 LEU A 85 7.454 -7.473 3.332 1.00 0.55 H new ATOM 0 HB3 LEU A 85 6.704 -8.469 4.563 1.00 0.55 H new ATOM 0 HG LEU A 85 4.479 -7.831 3.813 1.00 0.63 H new ATOM 0 HD11 LEU A 85 4.156 -6.410 1.808 1.00 0.98 H new ATOM 0 HD12 LEU A 85 4.949 -5.506 3.120 1.00 0.98 H new ATOM 0 HD13 LEU A 85 5.908 -6.103 1.745 1.00 0.98 H new ATOM 0 HD21 LEU A 85 4.587 -8.825 1.514 1.00 0.87 H new ATOM 0 HD22 LEU A 85 6.342 -8.535 1.482 1.00 0.87 H new ATOM 0 HD23 LEU A 85 5.653 -9.699 2.639 1.00 0.87 H new ATOM 1260 N ALA A 86 5.814 -7.190 7.129 1.00 0.42 N ATOM 1261 CA ALA A 86 4.854 -7.323 8.207 1.00 0.42 C ATOM 1262 C ALA A 86 4.850 -6.089 9.095 1.00 0.35 C ATOM 1263 O ALA A 86 3.848 -5.818 9.727 1.00 0.35 O ATOM 1264 CB ALA A 86 5.193 -8.562 9.033 1.00 0.46 C ATOM 0 H ALA A 86 6.676 -7.718 7.266 1.00 0.42 H new ATOM 0 HA ALA A 86 3.858 -7.427 7.776 1.00 0.42 H new ATOM 0 HB1 ALA A 86 4.473 -8.666 9.845 1.00 0.46 H new ATOM 0 HB2 ALA A 86 5.152 -9.446 8.397 1.00 0.46 H new ATOM 0 HB3 ALA A 86 6.196 -8.460 9.448 1.00 0.46 H new ATOM 1270 N GLU A 87 5.936 -5.328 9.147 1.00 0.33 N ATOM 1271 CA GLU A 87 6.068 -4.101 9.913 1.00 0.32 C ATOM 1272 C GLU A 87 5.255 -3.006 9.238 1.00 0.34 C ATOM 1273 O GLU A 87 4.550 -2.234 9.892 1.00 0.34 O ATOM 1274 CB GLU A 87 7.552 -3.722 9.953 1.00 0.30 C ATOM 1275 CG GLU A 87 8.287 -4.404 11.106 1.00 0.37 C ATOM 1276 CD GLU A 87 9.727 -3.899 11.199 1.00 0.96 C ATOM 1277 OE1 GLU A 87 10.126 -3.480 12.307 1.00 1.67 O ATOM 1278 OE2 GLU A 87 10.412 -3.922 10.150 1.00 2.45 O ATOM 0 H GLU A 87 6.785 -5.562 8.632 1.00 0.33 H new ATOM 0 HA GLU A 87 5.698 -4.233 10.930 1.00 0.32 H new ATOM 0 HB2 GLU A 87 8.022 -3.999 9.009 1.00 0.30 H new ATOM 0 HB3 GLU A 87 7.647 -2.641 10.052 1.00 0.30 H new ATOM 0 HG2 GLU A 87 7.766 -4.208 12.043 1.00 0.37 H new ATOM 0 HG3 GLU A 87 8.283 -5.484 10.959 1.00 0.37 H new ATOM 1285 N ALA A 88 5.317 -2.965 7.907 1.00 0.39 N ATOM 1286 CA ALA A 88 4.525 -2.032 7.129 1.00 0.45 C ATOM 1287 C ALA A 88 3.059 -2.355 7.375 1.00 0.45 C ATOM 1288 O ALA A 88 2.268 -1.505 7.779 1.00 0.47 O ATOM 1289 CB ALA A 88 4.892 -2.165 5.648 1.00 0.50 C ATOM 0 H ALA A 88 5.914 -3.575 7.348 1.00 0.39 H new ATOM 0 HA ALA A 88 4.720 -1.001 7.423 1.00 0.45 H new ATOM 0 HB1 ALA A 88 4.298 -1.464 5.062 1.00 0.50 H new ATOM 0 HB2 ALA A 88 5.951 -1.943 5.514 1.00 0.50 H new ATOM 0 HB3 ALA A 88 4.689 -3.182 5.313 1.00 0.50 H new ATOM 1295 N TYR A 89 2.711 -3.619 7.158 1.00 0.45 N ATOM 1296 CA TYR A 89 1.376 -4.138 7.329 1.00 0.48 C ATOM 1297 C TYR A 89 0.904 -4.109 8.778 1.00 0.40 C ATOM 1298 O TYR A 89 -0.296 -4.027 8.992 1.00 0.39 O ATOM 1299 CB TYR A 89 1.350 -5.541 6.716 1.00 0.55 C ATOM 1300 CG TYR A 89 1.369 -5.587 5.193 1.00 0.70 C ATOM 1301 CD1 TYR A 89 1.938 -6.703 4.553 1.00 1.73 C ATOM 1302 CD2 TYR A 89 0.805 -4.560 4.404 1.00 2.32 C ATOM 1303 CE1 TYR A 89 1.901 -6.821 3.153 1.00 1.72 C ATOM 1304 CE2 TYR A 89 0.780 -4.664 3.003 1.00 2.40 C ATOM 1305 CZ TYR A 89 1.304 -5.810 2.375 1.00 0.91 C ATOM 1306 OH TYR A 89 1.157 -5.978 1.035 1.00 0.95 O ATOM 0 H TYR A 89 3.378 -4.326 6.849 1.00 0.45 H new ATOM 0 HA TYR A 89 0.661 -3.497 6.814 1.00 0.48 H new ATOM 0 HB2 TYR A 89 2.208 -6.099 7.091 1.00 0.55 H new ATOM 0 HB3 TYR A 89 0.456 -6.057 7.067 1.00 0.55 H new ATOM 0 HD1 TYR A 89 2.408 -7.476 5.143 1.00 1.73 H new ATOM 0 HD2 TYR A 89 0.389 -3.686 4.883 1.00 2.32 H new ATOM 0 HE1 TYR A 89 2.331 -7.688 2.673 1.00 1.72 H new ATOM 0 HE2 TYR A 89 0.360 -3.866 2.409 1.00 2.40 H new ATOM 0 HH TYR A 89 0.728 -6.841 0.859 1.00 0.95 H new ATOM 1316 N GLU A 90 1.780 -4.112 9.778 1.00 0.37 N ATOM 1317 CA GLU A 90 1.380 -3.948 11.166 1.00 0.37 C ATOM 1318 C GLU A 90 1.046 -2.499 11.424 1.00 0.32 C ATOM 1319 O GLU A 90 0.073 -2.206 12.106 1.00 0.32 O ATOM 1320 CB GLU A 90 2.473 -4.377 12.153 1.00 0.47 C ATOM 1321 CG GLU A 90 2.304 -5.844 12.553 1.00 1.29 C ATOM 1322 CD GLU A 90 2.984 -6.146 13.893 1.00 1.76 C ATOM 1323 OE1 GLU A 90 3.842 -7.051 13.932 1.00 2.99 O ATOM 1324 OE2 GLU A 90 2.623 -5.465 14.884 1.00 1.83 O ATOM 0 H GLU A 90 2.785 -4.228 9.646 1.00 0.37 H new ATOM 0 HA GLU A 90 0.513 -4.590 11.325 1.00 0.37 H new ATOM 0 HB2 GLU A 90 3.454 -4.230 11.701 1.00 0.47 H new ATOM 0 HB3 GLU A 90 2.433 -3.747 13.042 1.00 0.47 H new ATOM 0 HG2 GLU A 90 1.243 -6.083 12.621 1.00 1.29 H new ATOM 0 HG3 GLU A 90 2.726 -6.484 11.778 1.00 1.29 H new ATOM 1331 N SER A 91 1.840 -1.581 10.881 1.00 0.33 N ATOM 1332 CA SER A 91 1.516 -0.177 11.017 1.00 0.34 C ATOM 1333 C SER A 91 0.151 0.069 10.389 1.00 0.33 C ATOM 1334 O SER A 91 -0.690 0.748 10.967 1.00 0.38 O ATOM 1335 CB SER A 91 2.586 0.697 10.355 1.00 0.40 C ATOM 1336 OG SER A 91 3.877 0.482 10.892 1.00 0.80 O ATOM 0 H SER A 91 2.691 -1.783 10.356 1.00 0.33 H new ATOM 0 HA SER A 91 1.487 0.091 12.073 1.00 0.34 H new ATOM 0 HB2 SER A 91 2.604 0.493 9.284 1.00 0.40 H new ATOM 0 HB3 SER A 91 2.317 1.746 10.475 1.00 0.40 H new ATOM 0 HG SER A 91 4.214 -0.389 10.595 1.00 0.80 H new ATOM 1342 N ILE A 92 -0.090 -0.501 9.210 1.00 0.33 N ATOM 1343 CA ILE A 92 -1.306 -0.221 8.472 1.00 0.35 C ATOM 1344 C ILE A 92 -2.480 -0.927 9.150 1.00 0.35 C ATOM 1345 O ILE A 92 -3.566 -0.367 9.237 1.00 0.41 O ATOM 1346 CB ILE A 92 -1.093 -0.582 6.984 1.00 0.46 C ATOM 1347 CG1 ILE A 92 -0.733 0.673 6.173 1.00 0.56 C ATOM 1348 CG2 ILE A 92 -2.309 -1.209 6.321 1.00 0.52 C ATOM 1349 CD1 ILE A 92 0.736 1.021 6.356 1.00 0.97 C ATOM 0 H ILE A 92 0.543 -1.157 8.752 1.00 0.33 H new ATOM 0 HA ILE A 92 -1.555 0.840 8.484 1.00 0.35 H new ATOM 0 HB ILE A 92 -0.285 -1.314 6.985 1.00 0.46 H new ATOM 0 HG12 ILE A 92 -0.944 0.504 5.117 1.00 0.56 H new ATOM 0 HG13 ILE A 92 -1.354 1.510 6.492 1.00 0.56 H new ATOM 0 HG21 ILE A 92 -2.080 -1.433 5.279 1.00 0.52 H new ATOM 0 HG22 ILE A 92 -2.573 -2.130 6.841 1.00 0.52 H new ATOM 0 HG23 ILE A 92 -3.147 -0.514 6.367 1.00 0.52 H new ATOM 0 HD11 ILE A 92 0.974 1.912 5.775 1.00 0.97 H new ATOM 0 HD12 ILE A 92 0.936 1.211 7.410 1.00 0.97 H new ATOM 0 HD13 ILE A 92 1.352 0.190 6.014 1.00 0.97 H new ATOM 1361 N ALA A 93 -2.281 -2.147 9.644 1.00 0.37 N ATOM 1362 CA ALA A 93 -3.355 -2.958 10.201 1.00 0.42 C ATOM 1363 C ALA A 93 -3.788 -2.396 11.547 1.00 0.42 C ATOM 1364 O ALA A 93 -4.979 -2.252 11.812 1.00 0.47 O ATOM 1365 CB ALA A 93 -2.911 -4.414 10.336 1.00 0.52 C ATOM 0 H ALA A 93 -1.367 -2.600 9.668 1.00 0.37 H new ATOM 0 HA ALA A 93 -4.208 -2.927 9.523 1.00 0.42 H new ATOM 0 HB1 ALA A 93 -3.726 -5.006 10.754 1.00 0.52 H new ATOM 0 HB2 ALA A 93 -2.644 -4.806 9.354 1.00 0.52 H new ATOM 0 HB3 ALA A 93 -2.046 -4.471 10.996 1.00 0.52 H new ATOM 1371 N LYS A 94 -2.832 -2.043 12.406 1.00 0.40 N ATOM 1372 CA LYS A 94 -3.175 -1.393 13.661 1.00 0.45 C ATOM 1373 C LYS A 94 -3.861 -0.072 13.354 1.00 0.46 C ATOM 1374 O LYS A 94 -4.884 0.212 13.957 1.00 0.54 O ATOM 1375 CB LYS A 94 -1.949 -1.223 14.561 1.00 0.48 C ATOM 1376 CG LYS A 94 -1.419 -2.599 14.985 1.00 1.12 C ATOM 1377 CD LYS A 94 -0.216 -2.463 15.921 1.00 1.60 C ATOM 1378 CE LYS A 94 0.531 -3.797 15.939 1.00 2.61 C ATOM 1379 NZ LYS A 94 1.776 -3.743 16.730 1.00 3.46 N ATOM 0 H LYS A 94 -1.834 -2.194 12.257 1.00 0.40 H new ATOM 0 HA LYS A 94 -3.865 -2.022 14.223 1.00 0.45 H new ATOM 0 HB2 LYS A 94 -1.172 -0.671 14.032 1.00 0.48 H new ATOM 0 HB3 LYS A 94 -2.212 -0.637 15.442 1.00 0.48 H new ATOM 0 HG2 LYS A 94 -2.210 -3.159 15.484 1.00 1.12 H new ATOM 0 HG3 LYS A 94 -1.133 -3.170 14.101 1.00 1.12 H new ATOM 0 HD2 LYS A 94 0.442 -1.664 15.580 1.00 1.60 H new ATOM 0 HD3 LYS A 94 -0.545 -2.198 16.926 1.00 1.60 H new ATOM 0 HE2 LYS A 94 -0.121 -4.568 16.348 1.00 2.61 H new ATOM 0 HE3 LYS A 94 0.768 -4.090 14.916 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 2.501 -4.335 16.277 1.00 3.46 H new ATOM 0 HZ2 LYS A 94 2.113 -2.760 16.780 1.00 3.46 H new ATOM 0 HZ3 LYS A 94 1.592 -4.095 17.691 1.00 3.46 H new ATOM 1393 N ILE A 95 -3.382 0.694 12.371 1.00 0.40 N ATOM 1394 CA ILE A 95 -4.055 1.936 11.990 1.00 0.45 C ATOM 1395 C ILE A 95 -5.475 1.657 11.505 1.00 0.48 C ATOM 1396 O ILE A 95 -6.377 2.443 11.770 1.00 0.55 O ATOM 1397 CB ILE A 95 -3.206 2.717 10.961 1.00 0.42 C ATOM 1398 CG1 ILE A 95 -2.031 3.385 11.700 1.00 0.64 C ATOM 1399 CG2 ILE A 95 -4.016 3.785 10.207 1.00 0.81 C ATOM 1400 CD1 ILE A 95 -0.966 3.956 10.754 1.00 0.63 C ATOM 0 H ILE A 95 -2.543 0.480 11.832 1.00 0.40 H new ATOM 0 HA ILE A 95 -4.151 2.575 12.868 1.00 0.45 H new ATOM 0 HB ILE A 95 -2.849 2.007 10.215 1.00 0.42 H new ATOM 0 HG12 ILE A 95 -2.416 4.187 12.330 1.00 0.64 H new ATOM 0 HG13 ILE A 95 -1.565 2.655 12.362 1.00 0.64 H new ATOM 0 HG21 ILE A 95 -3.368 4.301 9.499 1.00 0.81 H new ATOM 0 HG22 ILE A 95 -4.835 3.308 9.669 1.00 0.81 H new ATOM 0 HG23 ILE A 95 -4.420 4.505 10.919 1.00 0.81 H new ATOM 0 HD11 ILE A 95 -0.167 4.412 11.339 1.00 0.63 H new ATOM 0 HD12 ILE A 95 -0.555 3.153 10.142 1.00 0.63 H new ATOM 0 HD13 ILE A 95 -1.419 4.709 10.109 1.00 0.63 H new ATOM 1412 N VAL A 96 -5.704 0.548 10.810 1.00 0.48 N ATOM 1413 CA VAL A 96 -7.004 0.198 10.270 1.00 0.56 C ATOM 1414 C VAL A 96 -7.949 -0.081 11.426 1.00 0.68 C ATOM 1415 O VAL A 96 -9.114 0.294 11.379 1.00 0.75 O ATOM 1416 CB VAL A 96 -6.840 -1.005 9.323 1.00 0.61 C ATOM 1417 CG1 VAL A 96 -8.102 -1.863 9.188 1.00 0.79 C ATOM 1418 CG2 VAL A 96 -6.415 -0.528 7.930 1.00 0.58 C ATOM 0 H VAL A 96 -4.979 -0.140 10.606 1.00 0.48 H new ATOM 0 HA VAL A 96 -7.433 1.013 9.686 1.00 0.56 H new ATOM 0 HB VAL A 96 -6.071 -1.632 9.773 1.00 0.61 H new ATOM 0 HG11 VAL A 96 -7.908 -2.690 8.505 1.00 0.79 H new ATOM 0 HG12 VAL A 96 -8.380 -2.257 10.165 1.00 0.79 H new ATOM 0 HG13 VAL A 96 -8.917 -1.253 8.797 1.00 0.79 H new ATOM 0 HG21 VAL A 96 -6.302 -1.388 7.270 1.00 0.58 H new ATOM 0 HG22 VAL A 96 -7.175 0.142 7.527 1.00 0.58 H new ATOM 0 HG23 VAL A 96 -5.465 0.002 8.001 1.00 0.58 H new ATOM 1428 N ASN A 97 -7.458 -0.741 12.468 1.00 0.74 N ATOM 1429 CA ASN A 97 -8.306 -1.141 13.575 1.00 0.94 C ATOM 1430 C ASN A 97 -8.588 0.076 14.444 1.00 1.02 C ATOM 1431 O ASN A 97 -9.701 0.272 14.919 1.00 1.19 O ATOM 1432 CB ASN A 97 -7.593 -2.228 14.385 1.00 0.96 C ATOM 1433 CG ASN A 97 -8.561 -3.264 14.941 1.00 0.97 C ATOM 1434 OD1 ASN A 97 -9.763 -3.050 15.003 1.00 1.68 O ATOM 1435 ND2 ASN A 97 -8.055 -4.433 15.312 1.00 1.35 N ATOM 0 H ASN A 97 -6.479 -1.008 12.566 1.00 0.74 H new ATOM 0 HA ASN A 97 -9.251 -1.541 13.207 1.00 0.94 H new ATOM 0 HB2 ASN A 97 -6.857 -2.725 13.753 1.00 0.96 H new ATOM 0 HB3 ASN A 97 -7.047 -1.766 15.208 1.00 0.96 H new ATOM 0 HD21 ASN A 97 -8.671 -5.170 15.655 1.00 1.35 H new ATOM 0 HD22 ASN A 97 -7.050 -4.595 15.254 1.00 1.35 H new ATOM 1442 N ASP A 98 -7.575 0.927 14.604 1.00 0.92 N ATOM 1443 CA ASP A 98 -7.621 2.126 15.424 1.00 1.06 C ATOM 1444 C ASP A 98 -8.641 3.080 14.827 1.00 1.15 C ATOM 1445 O ASP A 98 -9.404 3.728 15.538 1.00 1.29 O ATOM 1446 CB ASP A 98 -6.240 2.798 15.438 1.00 0.98 C ATOM 1447 CG ASP A 98 -5.266 2.219 16.466 1.00 1.75 C ATOM 1448 OD1 ASP A 98 -4.106 2.689 16.462 1.00 2.16 O ATOM 1449 OD2 ASP A 98 -5.689 1.345 17.255 1.00 3.19 O ATOM 0 H ASP A 98 -6.672 0.792 14.149 1.00 0.92 H new ATOM 0 HA ASP A 98 -7.900 1.867 16.445 1.00 1.06 H new ATOM 0 HB2 ASP A 98 -5.797 2.711 14.446 1.00 0.98 H new ATOM 0 HB3 ASP A 98 -6.369 3.862 15.637 1.00 0.98 H new ATOM 1454 N ASN A 99 -8.651 3.175 13.496 1.00 1.05 N ATOM 1455 CA ASN A 99 -9.617 4.003 12.797 1.00 1.14 C ATOM 1456 C ASN A 99 -10.901 3.227 12.487 1.00 1.24 C ATOM 1457 O ASN A 99 -11.849 3.809 11.965 1.00 1.34 O ATOM 1458 CB ASN A 99 -8.993 4.523 11.504 1.00 1.01 C ATOM 1459 CG ASN A 99 -8.829 6.035 11.500 1.00 1.00 C ATOM 1460 OD1 ASN A 99 -9.585 6.767 10.868 1.00 1.97 O ATOM 1461 ND2 ASN A 99 -7.799 6.535 12.163 1.00 1.85 N ATOM 0 H ASN A 99 -7.997 2.685 12.886 1.00 1.05 H new ATOM 0 HA ASN A 99 -9.885 4.840 13.442 1.00 1.14 H new ATOM 0 HB2 ASN A 99 -8.019 4.055 11.361 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -9.615 4.227 10.660 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -7.625 7.540 12.153 1.00 1.85 H new ATOM 0 HD22 ASN A 99 -7.179 5.915 12.684 1.00 1.85 H new ATOM 1468 N ASN A 100 -10.937 1.924 12.787 1.00 1.23 N ATOM 1469 CA ASN A 100 -12.066 1.034 12.545 1.00 1.35 C ATOM 1470 C ASN A 100 -12.583 1.122 11.112 1.00 1.30 C ATOM 1471 O ASN A 100 -13.774 1.297 10.850 1.00 1.35 O ATOM 1472 CB ASN A 100 -13.160 1.322 13.570 1.00 1.57 C ATOM 1473 CG ASN A 100 -14.102 0.135 13.718 1.00 1.82 C ATOM 1474 OD1 ASN A 100 -13.957 -0.885 13.058 1.00 2.33 O ATOM 1475 ND2 ASN A 100 -15.071 0.235 14.618 1.00 2.33 N ATOM 0 H ASN A 100 -10.147 1.447 13.222 1.00 1.23 H new ATOM 0 HA ASN A 100 -11.728 0.005 12.667 1.00 1.35 H new ATOM 0 HB2 ASN A 100 -12.707 1.553 14.534 1.00 1.57 H new ATOM 0 HB3 ASN A 100 -13.725 2.202 13.265 1.00 1.57 H new ATOM 0 HD21 ASN A 100 -15.710 -0.546 14.769 1.00 2.33 H new ATOM 0 HD22 ASN A 100 -15.178 1.093 15.160 1.00 2.33 H new ATOM 1482 N TYR A 101 -11.669 1.026 10.151 1.00 1.21 N ATOM 1483 CA TYR A 101 -12.051 1.116 8.758 1.00 1.16 C ATOM 1484 C TYR A 101 -12.843 -0.104 8.305 1.00 1.32 C ATOM 1485 O TYR A 101 -12.294 -1.186 8.129 1.00 1.76 O ATOM 1486 CB TYR A 101 -10.814 1.301 7.884 1.00 1.17 C ATOM 1487 CG TYR A 101 -10.093 2.627 8.045 1.00 0.99 C ATOM 1488 CD1 TYR A 101 -8.695 2.674 7.897 1.00 1.98 C ATOM 1489 CD2 TYR A 101 -10.800 3.813 8.330 1.00 1.68 C ATOM 1490 CE1 TYR A 101 -7.998 3.881 8.061 1.00 1.89 C ATOM 1491 CE2 TYR A 101 -10.120 5.035 8.430 1.00 1.82 C ATOM 1492 CZ TYR A 101 -8.709 5.067 8.336 1.00 1.04 C ATOM 1493 OH TYR A 101 -8.033 6.226 8.574 1.00 1.32 O ATOM 0 H TYR A 101 -10.672 0.888 10.315 1.00 1.21 H new ATOM 0 HA TYR A 101 -12.701 1.985 8.650 1.00 1.16 H new ATOM 0 HB2 TYR A 101 -10.112 0.497 8.103 1.00 1.17 H new ATOM 0 HB3 TYR A 101 -11.108 1.192 6.840 1.00 1.17 H new ATOM 0 HD1 TYR A 101 -8.152 1.772 7.655 1.00 1.98 H new ATOM 0 HD2 TYR A 101 -11.870 3.780 8.472 1.00 1.68 H new ATOM 0 HE1 TYR A 101 -6.921 3.901 7.977 1.00 1.89 H new ATOM 0 HE2 TYR A 101 -10.673 5.951 8.579 1.00 1.82 H new ATOM 0 HH TYR A 101 -8.582 6.816 9.132 1.00 1.32 H new ATOM 1503 N LYS A 102 -14.128 0.117 8.015 1.00 1.19 N ATOM 1504 CA LYS A 102 -15.033 -0.898 7.498 1.00 1.41 C ATOM 1505 C LYS A 102 -14.616 -1.405 6.120 1.00 1.28 C ATOM 1506 O LYS A 102 -14.810 -2.570 5.801 1.00 1.46 O ATOM 1507 CB LYS A 102 -16.458 -0.338 7.452 1.00 1.68 C ATOM 1508 CG LYS A 102 -16.780 0.800 6.463 1.00 3.01 C ATOM 1509 CD LYS A 102 -16.283 2.208 6.832 1.00 3.75 C ATOM 1510 CE LYS A 102 -15.022 2.606 6.045 1.00 4.68 C ATOM 1511 NZ LYS A 102 -14.946 4.065 5.817 1.00 6.30 N ATOM 0 H LYS A 102 -14.572 1.027 8.138 1.00 1.19 H new ATOM 0 HA LYS A 102 -14.992 -1.753 8.173 1.00 1.41 H new ATOM 0 HB2 LYS A 102 -17.131 -1.167 7.231 1.00 1.68 H new ATOM 0 HB3 LYS A 102 -16.706 0.015 8.453 1.00 1.68 H new ATOM 0 HG2 LYS A 102 -16.358 0.535 5.493 1.00 3.01 H new ATOM 0 HG3 LYS A 102 -17.862 0.845 6.339 1.00 3.01 H new ATOM 0 HD2 LYS A 102 -17.074 2.933 6.638 1.00 3.75 H new ATOM 0 HD3 LYS A 102 -16.070 2.247 7.900 1.00 3.75 H new ATOM 0 HE2 LYS A 102 -14.137 2.278 6.590 1.00 4.68 H new ATOM 0 HE3 LYS A 102 -15.016 2.089 5.086 1.00 4.68 H new ATOM 0 HZ1 LYS A 102 -14.082 4.288 5.284 1.00 6.30 H new ATOM 0 HZ2 LYS A 102 -15.777 4.375 5.275 1.00 6.30 H new ATOM 0 HZ3 LYS A 102 -14.926 4.559 6.732 1.00 6.30 H new ATOM 1525 N SER A 103 -14.055 -0.512 5.320 1.00 1.08 N ATOM 1526 CA SER A 103 -13.402 -0.781 4.054 1.00 0.88 C ATOM 1527 C SER A 103 -12.341 0.300 3.879 1.00 0.72 C ATOM 1528 O SER A 103 -12.493 1.385 4.452 1.00 0.84 O ATOM 1529 CB SER A 103 -14.435 -0.722 2.922 1.00 1.13 C ATOM 1530 OG SER A 103 -15.078 0.541 2.906 1.00 1.49 O ATOM 0 H SER A 103 -14.044 0.481 5.554 1.00 1.08 H new ATOM 0 HA SER A 103 -12.947 -1.771 4.032 1.00 0.88 H new ATOM 0 HB2 SER A 103 -13.945 -0.900 1.965 1.00 1.13 H new ATOM 0 HB3 SER A 103 -15.174 -1.512 3.054 1.00 1.13 H new ATOM 0 HG SER A 103 -14.580 1.154 2.326 1.00 1.49 H new ATOM 1536 N VAL A 104 -11.281 0.015 3.119 1.00 0.60 N ATOM 1537 CA VAL A 104 -10.349 1.006 2.636 1.00 0.76 C ATOM 1538 C VAL A 104 -9.758 0.527 1.315 1.00 0.65 C ATOM 1539 O VAL A 104 -9.707 -0.679 1.057 1.00 0.64 O ATOM 1540 CB VAL A 104 -9.222 1.227 3.648 1.00 0.91 C ATOM 1541 CG1 VAL A 104 -9.525 2.461 4.493 1.00 2.18 C ATOM 1542 CG2 VAL A 104 -8.910 0.018 4.539 1.00 1.60 C ATOM 0 H VAL A 104 -11.052 -0.934 2.823 1.00 0.60 H new ATOM 0 HA VAL A 104 -10.876 1.949 2.494 1.00 0.76 H new ATOM 0 HB VAL A 104 -8.316 1.380 3.062 1.00 0.91 H new ATOM 0 HG11 VAL A 104 -8.721 2.616 5.212 1.00 2.18 H new ATOM 0 HG12 VAL A 104 -9.606 3.334 3.846 1.00 2.18 H new ATOM 0 HG13 VAL A 104 -10.465 2.316 5.025 1.00 2.18 H new ATOM 0 HG21 VAL A 104 -8.099 0.269 5.223 1.00 1.60 H new ATOM 0 HG22 VAL A 104 -9.798 -0.250 5.112 1.00 1.60 H new ATOM 0 HG23 VAL A 104 -8.611 -0.825 3.916 1.00 1.60 H new ATOM 1552 N ALA A 105 -9.255 1.471 0.516 1.00 0.63 N ATOM 1553 CA ALA A 105 -8.618 1.183 -0.753 1.00 0.64 C ATOM 1554 C ALA A 105 -7.138 0.882 -0.525 1.00 0.64 C ATOM 1555 O ALA A 105 -6.382 1.780 -0.154 1.00 0.61 O ATOM 1556 CB ALA A 105 -8.781 2.394 -1.674 1.00 0.64 C ATOM 0 H ALA A 105 -9.283 2.465 0.743 1.00 0.63 H new ATOM 0 HA ALA A 105 -9.082 0.313 -1.217 1.00 0.64 H new ATOM 0 HB1 ALA A 105 -8.305 2.189 -2.633 1.00 0.64 H new ATOM 0 HB2 ALA A 105 -9.841 2.592 -1.830 1.00 0.64 H new ATOM 0 HB3 ALA A 105 -8.313 3.265 -1.216 1.00 0.64 H new ATOM 1562 N ILE A 106 -6.696 -0.344 -0.812 1.00 0.76 N ATOM 1563 CA ILE A 106 -5.297 -0.721 -0.740 1.00 0.86 C ATOM 1564 C ILE A 106 -4.764 -0.837 -2.170 1.00 1.10 C ATOM 1565 O ILE A 106 -5.420 -1.431 -3.030 1.00 1.63 O ATOM 1566 CB ILE A 106 -5.096 -2.001 0.103 1.00 1.21 C ATOM 1567 CG1 ILE A 106 -5.642 -3.316 -0.486 1.00 2.82 C ATOM 1568 CG2 ILE A 106 -5.715 -1.837 1.502 1.00 1.25 C ATOM 1569 CD1 ILE A 106 -4.648 -4.050 -1.392 1.00 4.33 C ATOM 0 H ILE A 106 -7.310 -1.104 -1.103 1.00 0.76 H new ATOM 0 HA ILE A 106 -4.720 0.043 -0.219 1.00 0.86 H new ATOM 0 HB ILE A 106 -4.011 -2.100 0.125 1.00 1.21 H new ATOM 0 HG12 ILE A 106 -5.930 -3.977 0.332 1.00 2.82 H new ATOM 0 HG13 ILE A 106 -6.546 -3.100 -1.055 1.00 2.82 H new ATOM 0 HG21 ILE A 106 -5.561 -2.750 2.077 1.00 1.25 H new ATOM 0 HG22 ILE A 106 -5.239 -1.001 2.015 1.00 1.25 H new ATOM 0 HG23 ILE A 106 -6.783 -1.644 1.407 1.00 1.25 H new ATOM 0 HD11 ILE A 106 -5.105 -4.965 -1.768 1.00 4.33 H new ATOM 0 HD12 ILE A 106 -4.378 -3.409 -2.231 1.00 4.33 H new ATOM 0 HD13 ILE A 106 -3.752 -4.299 -0.823 1.00 4.33 H new ATOM 1581 N PRO A 107 -3.611 -0.217 -2.462 1.00 0.91 N ATOM 1582 CA PRO A 107 -2.904 -0.405 -3.713 1.00 1.20 C ATOM 1583 C PRO A 107 -2.075 -1.682 -3.585 1.00 1.21 C ATOM 1584 O PRO A 107 -2.301 -2.499 -2.693 1.00 1.24 O ATOM 1585 CB PRO A 107 -2.017 0.836 -3.827 1.00 1.25 C ATOM 1586 CG PRO A 107 -1.597 1.045 -2.377 1.00 0.93 C ATOM 1587 CD PRO A 107 -2.851 0.660 -1.588 1.00 0.71 C ATOM 0 HA PRO A 107 -3.542 -0.511 -4.590 1.00 1.20 H new ATOM 0 HB2 PRO A 107 -1.162 0.670 -4.482 1.00 1.25 H new ATOM 0 HB3 PRO A 107 -2.560 1.693 -4.224 1.00 1.25 H new ATOM 0 HG2 PRO A 107 -0.746 0.418 -2.110 1.00 0.93 H new ATOM 0 HG3 PRO A 107 -1.304 2.078 -2.188 1.00 0.93 H new ATOM 0 HD2 PRO A 107 -2.589 0.155 -0.658 1.00 0.71 H new ATOM 0 HD3 PRO A 107 -3.431 1.543 -1.319 1.00 0.71 H new ATOM 1595 N LEU A 108 -1.065 -1.846 -4.436 1.00 1.51 N ATOM 1596 CA LEU A 108 -0.170 -2.979 -4.379 1.00 1.57 C ATOM 1597 C LEU A 108 1.226 -2.414 -4.170 1.00 1.54 C ATOM 1598 O LEU A 108 1.580 -1.401 -4.768 1.00 1.89 O ATOM 1599 CB LEU A 108 -0.319 -3.809 -5.657 1.00 1.97 C ATOM 1600 CG LEU A 108 -1.775 -4.295 -5.804 1.00 2.36 C ATOM 1601 CD1 LEU A 108 -2.544 -3.477 -6.849 1.00 3.64 C ATOM 1602 CD2 LEU A 108 -1.810 -5.772 -6.180 1.00 3.07 C ATOM 0 H LEU A 108 -0.851 -1.188 -5.185 1.00 1.51 H new ATOM 0 HA LEU A 108 -0.394 -3.662 -3.559 1.00 1.57 H new ATOM 0 HB2 LEU A 108 -0.037 -3.211 -6.524 1.00 1.97 H new ATOM 0 HB3 LEU A 108 0.357 -4.664 -5.626 1.00 1.97 H new ATOM 0 HG LEU A 108 -2.262 -4.155 -4.839 1.00 2.36 H new ATOM 0 HD11 LEU A 108 -3.565 -3.850 -6.923 1.00 3.64 H new ATOM 0 HD12 LEU A 108 -2.561 -2.429 -6.550 1.00 3.64 H new ATOM 0 HD13 LEU A 108 -2.052 -3.570 -7.817 1.00 3.64 H new ATOM 0 HD21 LEU A 108 -2.845 -6.098 -6.279 1.00 3.07 H new ATOM 0 HD22 LEU A 108 -1.291 -5.919 -7.127 1.00 3.07 H new ATOM 0 HD23 LEU A 108 -1.319 -6.357 -5.403 1.00 3.07 H new ATOM 1614 N LEU A 109 1.984 -3.030 -3.264 1.00 1.35 N ATOM 1615 CA LEU A 109 3.300 -2.574 -2.845 1.00 1.47 C ATOM 1616 C LEU A 109 4.249 -3.758 -2.977 1.00 1.46 C ATOM 1617 O LEU A 109 3.797 -4.888 -3.149 1.00 1.43 O ATOM 1618 CB LEU A 109 3.284 -2.042 -1.401 1.00 1.62 C ATOM 1619 CG LEU A 109 2.276 -0.905 -1.155 1.00 1.61 C ATOM 1620 CD1 LEU A 109 0.937 -1.444 -0.635 1.00 2.25 C ATOM 1621 CD2 LEU A 109 2.825 0.065 -0.105 1.00 1.73 C ATOM 0 H LEU A 109 1.687 -3.883 -2.791 1.00 1.35 H new ATOM 0 HA LEU A 109 3.625 -1.744 -3.472 1.00 1.47 H new ATOM 0 HB2 LEU A 109 3.056 -2.866 -0.725 1.00 1.62 H new ATOM 0 HB3 LEU A 109 4.283 -1.688 -1.146 1.00 1.62 H new ATOM 0 HG LEU A 109 2.121 -0.401 -2.109 1.00 1.61 H new ATOM 0 HD11 LEU A 109 0.249 -0.614 -0.472 1.00 2.25 H new ATOM 0 HD12 LEU A 109 0.511 -2.130 -1.368 1.00 2.25 H new ATOM 0 HD13 LEU A 109 1.098 -1.972 0.305 1.00 2.25 H new ATOM 0 HD21 LEU A 109 2.105 0.866 0.062 1.00 1.73 H new ATOM 0 HD22 LEU A 109 2.997 -0.469 0.829 1.00 1.73 H new ATOM 0 HD23 LEU A 109 3.765 0.490 -0.458 1.00 1.73 H new ATOM 1633 N SER A 110 5.558 -3.507 -2.963 1.00 1.57 N ATOM 1634 CA SER A 110 6.597 -4.504 -3.215 1.00 1.63 C ATOM 1635 C SER A 110 6.596 -5.078 -4.641 1.00 1.88 C ATOM 1636 O SER A 110 7.524 -5.779 -5.041 1.00 2.70 O ATOM 1637 CB SER A 110 6.560 -5.636 -2.190 1.00 1.51 C ATOM 1638 OG SER A 110 6.290 -5.122 -0.901 1.00 2.14 O ATOM 0 H SER A 110 5.935 -2.579 -2.771 1.00 1.57 H new ATOM 0 HA SER A 110 7.532 -3.954 -3.108 1.00 1.63 H new ATOM 0 HB2 SER A 110 5.795 -6.362 -2.467 1.00 1.51 H new ATOM 0 HB3 SER A 110 7.514 -6.164 -2.186 1.00 1.51 H new ATOM 0 HG SER A 110 6.715 -5.692 -0.226 1.00 2.14 H new ATOM 1644 N THR A 111 5.579 -4.777 -5.445 1.00 1.61 N ATOM 1645 CA THR A 111 5.286 -5.512 -6.658 1.00 1.67 C ATOM 1646 C THR A 111 5.669 -4.631 -7.837 1.00 2.00 C ATOM 1647 O THR A 111 4.838 -4.097 -8.567 1.00 2.93 O ATOM 1648 CB THR A 111 3.822 -5.967 -6.606 1.00 1.57 C ATOM 1649 OG1 THR A 111 3.007 -5.029 -5.926 1.00 2.20 O ATOM 1650 CG2 THR A 111 3.756 -7.273 -5.811 1.00 1.71 C ATOM 0 H THR A 111 4.933 -4.008 -5.265 1.00 1.61 H new ATOM 0 HA THR A 111 5.866 -6.428 -6.770 1.00 1.67 H new ATOM 0 HB THR A 111 3.466 -6.079 -7.630 1.00 1.57 H new ATOM 0 HG1 THR A 111 3.199 -5.065 -4.966 1.00 2.20 H new ATOM 0 HG21 THR A 111 2.723 -7.616 -5.761 1.00 1.71 H new ATOM 0 HG22 THR A 111 4.366 -8.030 -6.303 1.00 1.71 H new ATOM 0 HG23 THR A 111 4.132 -7.104 -4.802 1.00 1.71 H new ATOM 1658 N GLY A 112 6.981 -4.467 -7.982 1.00 2.06 N ATOM 1659 CA GLY A 112 7.611 -3.614 -8.965 1.00 2.44 C ATOM 1660 C GLY A 112 9.109 -3.720 -8.730 1.00 1.73 C ATOM 1661 O GLY A 112 9.640 -4.820 -8.591 1.00 2.50 O ATOM 0 H GLY A 112 7.656 -4.949 -7.389 1.00 2.06 H new ATOM 0 HA2 GLY A 112 7.353 -3.930 -9.976 1.00 2.44 H new ATOM 0 HA3 GLY A 112 7.273 -2.583 -8.858 1.00 2.44 H new ATOM 1665 N ILE A 113 9.796 -2.590 -8.587 1.00 1.80 N ATOM 1666 CA ILE A 113 11.248 -2.572 -8.439 1.00 1.95 C ATOM 1667 C ILE A 113 11.690 -2.770 -6.983 1.00 1.64 C ATOM 1668 O ILE A 113 12.801 -2.390 -6.623 1.00 2.02 O ATOM 1669 CB ILE A 113 11.801 -1.269 -9.046 1.00 3.27 C ATOM 1670 CG1 ILE A 113 11.117 -0.017 -8.458 1.00 2.69 C ATOM 1671 CG2 ILE A 113 11.613 -1.337 -10.569 1.00 4.60 C ATOM 1672 CD1 ILE A 113 11.859 1.275 -8.811 1.00 3.46 C ATOM 0 H ILE A 113 9.365 -1.666 -8.570 1.00 1.80 H new ATOM 0 HA ILE A 113 11.666 -3.419 -8.984 1.00 1.95 H new ATOM 0 HB ILE A 113 12.859 -1.179 -8.799 1.00 3.27 H new ATOM 0 HG12 ILE A 113 10.094 0.042 -8.829 1.00 2.69 H new ATOM 0 HG13 ILE A 113 11.058 -0.114 -7.374 1.00 2.69 H new ATOM 0 HG21 ILE A 113 11.997 -0.424 -11.024 1.00 4.60 H new ATOM 0 HG22 ILE A 113 12.155 -2.196 -10.965 1.00 4.60 H new ATOM 0 HG23 ILE A 113 10.553 -1.439 -10.801 1.00 4.60 H new ATOM 0 HD11 ILE A 113 11.337 2.126 -8.373 1.00 3.46 H new ATOM 0 HD12 ILE A 113 12.874 1.231 -8.417 1.00 3.46 H new ATOM 0 HD13 ILE A 113 11.895 1.390 -9.894 1.00 3.46 H new ATOM 1684 N PHE A 114 10.851 -3.378 -6.141 1.00 1.15 N ATOM 1685 CA PHE A 114 11.147 -3.570 -4.739 1.00 0.88 C ATOM 1686 C PHE A 114 11.841 -4.916 -4.601 1.00 0.94 C ATOM 1687 O PHE A 114 13.013 -5.012 -4.246 1.00 0.97 O ATOM 1688 CB PHE A 114 9.850 -3.568 -3.947 1.00 0.84 C ATOM 1689 CG PHE A 114 9.146 -2.238 -3.961 1.00 0.84 C ATOM 1690 CD1 PHE A 114 8.407 -1.832 -5.087 1.00 2.19 C ATOM 1691 CD2 PHE A 114 9.237 -1.403 -2.840 1.00 1.77 C ATOM 1692 CE1 PHE A 114 7.794 -0.572 -5.105 1.00 2.35 C ATOM 1693 CE2 PHE A 114 8.596 -0.159 -2.851 1.00 1.76 C ATOM 1694 CZ PHE A 114 7.876 0.266 -3.980 1.00 1.21 C ATOM 0 H PHE A 114 9.944 -3.749 -6.425 1.00 1.15 H new ATOM 0 HA PHE A 114 11.786 -2.773 -4.359 1.00 0.88 H new ATOM 0 HB2 PHE A 114 9.183 -4.329 -4.353 1.00 0.84 H new ATOM 0 HB3 PHE A 114 10.062 -3.848 -2.915 1.00 0.84 H new ATOM 0 HD1 PHE A 114 8.312 -2.491 -5.937 1.00 2.19 H new ATOM 0 HD2 PHE A 114 9.798 -1.717 -1.973 1.00 1.77 H new ATOM 0 HE1 PHE A 114 7.258 -0.245 -5.984 1.00 2.35 H new ATOM 0 HE2 PHE A 114 8.655 0.481 -1.983 1.00 1.76 H new ATOM 0 HZ PHE A 114 7.389 1.230 -3.983 1.00 1.21 H new ATOM 1704 N SER A 115 11.089 -5.983 -4.875 1.00 0.97 N ATOM 1705 CA SER A 115 11.556 -7.341 -4.691 1.00 1.06 C ATOM 1706 C SER A 115 12.575 -7.737 -5.760 1.00 0.95 C ATOM 1707 O SER A 115 13.473 -8.535 -5.513 1.00 1.08 O ATOM 1708 CB SER A 115 10.354 -8.282 -4.681 1.00 1.24 C ATOM 1709 OG SER A 115 10.759 -9.578 -4.310 1.00 2.33 O ATOM 0 H SER A 115 10.136 -5.920 -5.232 1.00 0.97 H new ATOM 0 HA SER A 115 12.074 -7.414 -3.734 1.00 1.06 H new ATOM 0 HB2 SER A 115 9.600 -7.915 -3.985 1.00 1.24 H new ATOM 0 HB3 SER A 115 9.892 -8.305 -5.668 1.00 1.24 H new ATOM 0 HG SER A 115 9.969 -10.123 -4.111 1.00 2.33 H new ATOM 1715 N GLY A 116 12.448 -7.188 -6.967 1.00 0.90 N ATOM 1716 CA GLY A 116 13.223 -7.643 -8.103 1.00 0.99 C ATOM 1717 C GLY A 116 12.304 -8.506 -8.949 1.00 1.12 C ATOM 1718 O GLY A 116 11.603 -7.979 -9.807 1.00 2.04 O ATOM 0 H GLY A 116 11.808 -6.422 -7.177 1.00 0.90 H new ATOM 0 HA2 GLY A 116 13.596 -6.796 -8.679 1.00 0.99 H new ATOM 0 HA3 GLY A 116 14.092 -8.212 -7.774 1.00 0.99 H new ATOM 1722 N ASN A 117 12.265 -9.820 -8.704 1.00 1.27 N ATOM 1723 CA ASN A 117 11.319 -10.679 -9.409 1.00 1.72 C ATOM 1724 C ASN A 117 11.102 -11.998 -8.667 1.00 1.69 C ATOM 1725 O ASN A 117 11.836 -12.961 -8.889 1.00 2.26 O ATOM 1726 CB ASN A 117 11.824 -10.950 -10.836 1.00 2.70 C ATOM 1727 CG ASN A 117 10.704 -11.457 -11.737 1.00 3.54 C ATOM 1728 OD1 ASN A 117 9.693 -12.000 -11.286 1.00 3.99 O ATOM 1729 ND2 ASN A 117 10.857 -11.248 -13.038 1.00 4.27 N ATOM 0 H ASN A 117 12.867 -10.301 -8.035 1.00 1.27 H new ATOM 0 HA ASN A 117 10.361 -10.162 -9.455 1.00 1.72 H new ATOM 0 HB2 ASN A 117 12.244 -10.035 -11.255 1.00 2.70 H new ATOM 0 HB3 ASN A 117 12.629 -11.685 -10.805 1.00 2.70 H new ATOM 0 HD21 ASN A 117 10.129 -11.539 -13.690 1.00 4.27 H new ATOM 0 HD22 ASN A 117 11.703 -10.797 -13.386 1.00 4.27 H new ATOM 1736 N LYS A 118 10.089 -12.071 -7.801 1.00 1.92 N ATOM 1737 CA LYS A 118 9.631 -13.342 -7.250 1.00 2.12 C ATOM 1738 C LYS A 118 8.191 -13.210 -6.795 1.00 2.10 C ATOM 1739 O LYS A 118 7.293 -13.740 -7.447 1.00 3.13 O ATOM 1740 CB LYS A 118 10.506 -13.818 -6.074 1.00 2.75 C ATOM 1741 CG LYS A 118 11.601 -14.801 -6.507 1.00 3.11 C ATOM 1742 CD LYS A 118 11.688 -15.948 -5.492 1.00 4.13 C ATOM 1743 CE LYS A 118 12.844 -16.905 -5.799 1.00 4.59 C ATOM 1744 NZ LYS A 118 12.741 -17.494 -7.152 1.00 4.82 N ATOM 0 H LYS A 118 9.570 -11.259 -7.467 1.00 1.92 H new ATOM 0 HA LYS A 118 9.710 -14.090 -8.039 1.00 2.12 H new ATOM 0 HB2 LYS A 118 10.968 -12.953 -5.598 1.00 2.75 H new ATOM 0 HB3 LYS A 118 9.873 -14.294 -5.325 1.00 2.75 H new ATOM 0 HG2 LYS A 118 11.380 -15.195 -7.499 1.00 3.11 H new ATOM 0 HG3 LYS A 118 12.560 -14.287 -6.575 1.00 3.11 H new ATOM 0 HD2 LYS A 118 11.815 -15.536 -4.491 1.00 4.13 H new ATOM 0 HD3 LYS A 118 10.750 -16.503 -5.492 1.00 4.13 H new ATOM 0 HE2 LYS A 118 13.789 -16.370 -5.709 1.00 4.59 H new ATOM 0 HE3 LYS A 118 12.858 -17.704 -5.058 1.00 4.59 H new ATOM 0 HZ1 LYS A 118 13.496 -18.197 -7.283 1.00 4.82 H new ATOM 0 HZ2 LYS A 118 11.815 -17.955 -7.260 1.00 4.82 H new ATOM 0 HZ3 LYS A 118 12.839 -16.744 -7.866 1.00 4.82 H new ATOM 1758 N ASP A 119 7.990 -12.550 -5.655 1.00 1.89 N ATOM 1759 CA ASP A 119 6.672 -12.430 -5.066 1.00 1.74 C ATOM 1760 C ASP A 119 5.794 -11.599 -5.989 1.00 1.28 C ATOM 1761 O ASP A 119 6.284 -10.854 -6.841 1.00 1.53 O ATOM 1762 CB ASP A 119 6.743 -11.810 -3.668 1.00 2.36 C ATOM 1763 CG ASP A 119 6.935 -10.301 -3.752 1.00 3.10 C ATOM 1764 OD1 ASP A 119 5.937 -9.572 -3.568 1.00 4.11 O ATOM 1765 OD2 ASP A 119 8.088 -9.918 -4.043 1.00 3.89 O ATOM 0 H ASP A 119 8.731 -12.091 -5.125 1.00 1.89 H new ATOM 0 HA ASP A 119 6.239 -13.423 -4.951 1.00 1.74 H new ATOM 0 HB2 ASP A 119 5.828 -12.034 -3.119 1.00 2.36 H new ATOM 0 HB3 ASP A 119 7.567 -12.255 -3.110 1.00 2.36 H new ATOM 1770 N ARG A 120 4.481 -11.770 -5.853 1.00 1.23 N ATOM 1771 CA ARG A 120 3.521 -11.091 -6.699 1.00 1.40 C ATOM 1772 C ARG A 120 2.338 -10.702 -5.835 1.00 1.29 C ATOM 1773 O ARG A 120 2.421 -10.667 -4.610 1.00 1.24 O ATOM 1774 CB ARG A 120 3.115 -11.952 -7.911 1.00 1.99 C ATOM 1775 CG ARG A 120 4.312 -12.698 -8.517 1.00 2.08 C ATOM 1776 CD ARG A 120 4.022 -13.217 -9.924 1.00 2.78 C ATOM 1777 NE ARG A 120 5.072 -14.138 -10.391 1.00 3.07 N ATOM 1778 CZ ARG A 120 6.347 -13.842 -10.697 1.00 3.93 C ATOM 1779 NH1 ARG A 120 7.155 -14.808 -11.135 1.00 4.47 N ATOM 1780 NH2 ARG A 120 6.828 -12.603 -10.592 1.00 5.05 N ATOM 0 H ARG A 120 4.061 -12.382 -5.154 1.00 1.23 H new ATOM 0 HA ARG A 120 3.965 -10.193 -7.127 1.00 1.40 H new ATOM 0 HB2 ARG A 120 2.356 -12.673 -7.605 1.00 1.99 H new ATOM 0 HB3 ARG A 120 2.662 -11.316 -8.672 1.00 1.99 H new ATOM 0 HG2 ARG A 120 5.174 -12.032 -8.549 1.00 2.08 H new ATOM 0 HG3 ARG A 120 4.580 -13.535 -7.872 1.00 2.08 H new ATOM 0 HD2 ARG A 120 3.059 -13.728 -9.932 1.00 2.78 H new ATOM 0 HD3 ARG A 120 3.942 -12.376 -10.613 1.00 2.78 H new ATOM 0 HE ARG A 120 4.800 -15.116 -10.494 1.00 3.07 H new ATOM 0 HH11 ARG A 120 6.804 -15.760 -11.235 1.00 4.47 H new ATOM 0 HH12 ARG A 120 8.124 -14.595 -11.370 1.00 4.47 H new ATOM 0 HH21 ARG A 120 6.223 -11.847 -10.272 1.00 5.05 H new ATOM 0 HH22 ARG A 120 7.801 -12.411 -10.832 1.00 5.05 H new ATOM 1794 N LEU A 121 1.211 -10.417 -6.471 1.00 1.31 N ATOM 1795 CA LEU A 121 0.136 -9.723 -5.800 1.00 1.24 C ATOM 1796 C LEU A 121 -0.487 -10.642 -4.780 1.00 1.18 C ATOM 1797 O LEU A 121 -0.682 -10.256 -3.646 1.00 1.06 O ATOM 1798 CB LEU A 121 -0.937 -9.226 -6.766 1.00 1.34 C ATOM 1799 CG LEU A 121 -0.458 -8.546 -8.063 1.00 1.81 C ATOM 1800 CD1 LEU A 121 0.840 -7.745 -7.897 1.00 3.80 C ATOM 1801 CD2 LEU A 121 -0.348 -9.542 -9.225 1.00 1.40 C ATOM 0 H LEU A 121 1.023 -10.656 -7.445 1.00 1.31 H new ATOM 0 HA LEU A 121 0.563 -8.844 -5.317 1.00 1.24 H new ATOM 0 HB2 LEU A 121 -1.563 -10.075 -7.041 1.00 1.34 H new ATOM 0 HB3 LEU A 121 -1.573 -8.521 -6.230 1.00 1.34 H new ATOM 0 HG LEU A 121 -1.233 -7.820 -8.309 1.00 1.81 H new ATOM 0 HD11 LEU A 121 1.115 -7.295 -8.851 1.00 3.80 H new ATOM 0 HD12 LEU A 121 0.691 -6.960 -7.156 1.00 3.80 H new ATOM 0 HD13 LEU A 121 1.638 -8.410 -7.566 1.00 3.80 H new ATOM 0 HD21 LEU A 121 -0.007 -9.021 -10.120 1.00 1.40 H new ATOM 0 HD22 LEU A 121 0.365 -10.325 -8.967 1.00 1.40 H new ATOM 0 HD23 LEU A 121 -1.324 -9.989 -9.415 1.00 1.40 H new ATOM 1813 N THR A 122 -0.731 -11.881 -5.172 1.00 1.32 N ATOM 1814 CA THR A 122 -1.124 -13.000 -4.356 1.00 1.22 C ATOM 1815 C THR A 122 -0.296 -13.085 -3.085 1.00 1.09 C ATOM 1816 O THR A 122 -0.821 -13.479 -2.051 1.00 1.09 O ATOM 1817 CB THR A 122 -0.939 -14.230 -5.246 1.00 1.29 C ATOM 1818 OG1 THR A 122 -1.721 -14.050 -6.407 1.00 1.42 O ATOM 1819 CG2 THR A 122 -1.310 -15.543 -4.559 1.00 1.33 C ATOM 0 H THR A 122 -0.650 -12.144 -6.154 1.00 1.32 H new ATOM 0 HA THR A 122 -2.155 -12.909 -4.013 1.00 1.22 H new ATOM 0 HB THR A 122 0.121 -14.313 -5.487 1.00 1.29 H new ATOM 0 HG1 THR A 122 -1.617 -14.827 -6.995 1.00 1.42 H new ATOM 0 HG21 THR A 122 -1.154 -16.372 -5.250 1.00 1.33 H new ATOM 0 HG22 THR A 122 -0.684 -15.682 -3.678 1.00 1.33 H new ATOM 0 HG23 THR A 122 -2.357 -15.513 -4.259 1.00 1.33 H new ATOM 1827 N GLN A 123 0.988 -12.726 -3.131 1.00 1.06 N ATOM 1828 CA GLN A 123 1.777 -12.782 -1.921 1.00 1.02 C ATOM 1829 C GLN A 123 1.519 -11.549 -1.073 1.00 0.97 C ATOM 1830 O GLN A 123 1.219 -11.679 0.114 1.00 0.95 O ATOM 1831 CB GLN A 123 3.267 -12.950 -2.214 1.00 1.08 C ATOM 1832 CG GLN A 123 3.530 -14.308 -2.877 1.00 1.35 C ATOM 1833 CD GLN A 123 4.866 -14.906 -2.449 1.00 1.31 C ATOM 1834 OE1 GLN A 123 5.779 -15.040 -3.254 1.00 2.19 O ATOM 1835 NE2 GLN A 123 4.996 -15.289 -1.184 1.00 1.93 N ATOM 0 H GLN A 123 1.481 -12.406 -3.965 1.00 1.06 H new ATOM 0 HA GLN A 123 1.468 -13.664 -1.361 1.00 1.02 H new ATOM 0 HB2 GLN A 123 3.609 -12.147 -2.867 1.00 1.08 H new ATOM 0 HB3 GLN A 123 3.837 -12.873 -1.288 1.00 1.08 H new ATOM 0 HG2 GLN A 123 2.726 -14.998 -2.621 1.00 1.35 H new ATOM 0 HG3 GLN A 123 3.516 -14.191 -3.961 1.00 1.35 H new ATOM 0 HE21 GLN A 123 4.221 -15.167 -0.532 1.00 1.93 H new ATOM 0 HE22 GLN A 123 5.871 -15.705 -0.864 1.00 1.93 H new ATOM 1844 N SER A 124 1.606 -10.350 -1.657 1.00 1.00 N ATOM 1845 CA SER A 124 1.501 -9.151 -0.833 1.00 0.96 C ATOM 1846 C SER A 124 0.105 -9.075 -0.219 1.00 0.90 C ATOM 1847 O SER A 124 -0.071 -8.590 0.897 1.00 0.92 O ATOM 1848 CB SER A 124 1.854 -7.896 -1.645 1.00 1.06 C ATOM 1849 OG SER A 124 2.884 -7.171 -1.001 1.00 1.81 O ATOM 0 H SER A 124 1.743 -10.189 -2.655 1.00 1.00 H new ATOM 0 HA SER A 124 2.223 -9.204 -0.018 1.00 0.96 H new ATOM 0 HB2 SER A 124 2.172 -8.181 -2.648 1.00 1.06 H new ATOM 0 HB3 SER A 124 0.971 -7.266 -1.757 1.00 1.06 H new ATOM 0 HG SER A 124 2.512 -6.682 -0.238 1.00 1.81 H new ATOM 1855 N LEU A 125 -0.892 -9.580 -0.941 1.00 0.92 N ATOM 1856 CA LEU A 125 -2.265 -9.642 -0.508 1.00 1.01 C ATOM 1857 C LEU A 125 -2.392 -10.665 0.590 1.00 0.97 C ATOM 1858 O LEU A 125 -3.142 -10.440 1.516 1.00 0.99 O ATOM 1859 CB LEU A 125 -3.220 -9.904 -1.691 1.00 1.23 C ATOM 1860 CG LEU A 125 -3.657 -11.367 -1.900 1.00 1.06 C ATOM 1861 CD1 LEU A 125 -4.716 -11.857 -0.902 1.00 1.55 C ATOM 1862 CD2 LEU A 125 -4.252 -11.488 -3.297 1.00 2.03 C ATOM 0 H LEU A 125 -0.750 -9.968 -1.874 1.00 0.92 H new ATOM 0 HA LEU A 125 -2.564 -8.675 -0.102 1.00 1.01 H new ATOM 0 HB2 LEU A 125 -4.114 -9.296 -1.551 1.00 1.23 H new ATOM 0 HB3 LEU A 125 -2.738 -9.556 -2.605 1.00 1.23 H new ATOM 0 HG LEU A 125 -2.769 -11.981 -1.753 1.00 1.06 H new ATOM 0 HD11 LEU A 125 -4.968 -12.895 -1.119 1.00 1.55 H new ATOM 0 HD12 LEU A 125 -4.322 -11.783 0.112 1.00 1.55 H new ATOM 0 HD13 LEU A 125 -5.611 -11.241 -0.989 1.00 1.55 H new ATOM 0 HD21 LEU A 125 -4.569 -12.516 -3.469 1.00 2.03 H new ATOM 0 HD22 LEU A 125 -5.111 -10.823 -3.385 1.00 2.03 H new ATOM 0 HD23 LEU A 125 -3.501 -11.211 -4.037 1.00 2.03 H new ATOM 1874 N ASN A 126 -1.679 -11.783 0.526 1.00 0.96 N ATOM 1875 CA ASN A 126 -1.785 -12.794 1.569 1.00 0.98 C ATOM 1876 C ASN A 126 -1.333 -12.204 2.896 1.00 0.99 C ATOM 1877 O ASN A 126 -1.998 -12.370 3.913 1.00 1.08 O ATOM 1878 CB ASN A 126 -0.974 -14.047 1.218 1.00 0.92 C ATOM 1879 CG ASN A 126 -1.494 -15.304 1.906 1.00 1.27 C ATOM 1880 OD1 ASN A 126 -2.594 -15.342 2.450 1.00 1.67 O ATOM 1881 ND2 ASN A 126 -0.738 -16.390 1.827 1.00 1.95 N ATOM 0 H ASN A 126 -1.029 -12.010 -0.227 1.00 0.96 H new ATOM 0 HA ASN A 126 -2.827 -13.101 1.653 1.00 0.98 H new ATOM 0 HB2 ASN A 126 -0.994 -14.196 0.138 1.00 0.92 H new ATOM 0 HB3 ASN A 126 0.067 -13.890 1.499 1.00 0.92 H new ATOM 0 HD21 ASN A 126 -1.068 -17.271 2.221 1.00 1.95 H new ATOM 0 HD22 ASN A 126 0.174 -16.345 1.372 1.00 1.95 H new ATOM 1888 N HIS A 127 -0.221 -11.469 2.885 1.00 0.94 N ATOM 1889 CA HIS A 127 0.281 -10.856 4.112 1.00 0.98 C ATOM 1890 C HIS A 127 -0.669 -9.751 4.563 1.00 0.96 C ATOM 1891 O HIS A 127 -0.894 -9.576 5.756 1.00 0.96 O ATOM 1892 CB HIS A 127 1.681 -10.275 3.894 1.00 1.03 C ATOM 1893 CG HIS A 127 2.795 -11.285 3.809 1.00 1.27 C ATOM 1894 ND1 HIS A 127 3.549 -11.766 4.859 1.00 2.05 N ATOM 1895 CD2 HIS A 127 3.344 -11.768 2.653 1.00 0.97 C ATOM 1896 CE1 HIS A 127 4.526 -12.534 4.340 1.00 2.16 C ATOM 1897 NE2 HIS A 127 4.426 -12.580 3.000 1.00 1.49 N ATOM 0 H HIS A 127 0.341 -11.286 2.054 1.00 0.94 H new ATOM 0 HA HIS A 127 0.340 -11.624 4.883 1.00 0.98 H new ATOM 0 HB2 HIS A 127 1.674 -9.690 2.975 1.00 1.03 H new ATOM 0 HB3 HIS A 127 1.900 -9.585 4.709 1.00 1.03 H new ATOM 0 HD2 HIS A 127 3.002 -11.559 1.650 1.00 0.97 H new ATOM 0 HE1 HIS A 127 5.283 -13.042 4.919 1.00 2.16 H new ATOM 0 HE2 HIS A 127 5.024 -13.105 2.362 1.00 1.49 H new ATOM 1905 N LEU A 128 -1.240 -9.007 3.619 1.00 0.99 N ATOM 1906 CA LEU A 128 -2.082 -7.862 3.934 1.00 1.07 C ATOM 1907 C LEU A 128 -3.399 -8.348 4.512 1.00 1.07 C ATOM 1908 O LEU A 128 -3.920 -7.771 5.453 1.00 1.07 O ATOM 1909 CB LEU A 128 -2.279 -7.025 2.666 1.00 1.19 C ATOM 1910 CG LEU A 128 -3.174 -5.786 2.812 1.00 1.33 C ATOM 1911 CD1 LEU A 128 -2.808 -4.887 3.994 1.00 2.43 C ATOM 1912 CD2 LEU A 128 -3.040 -4.979 1.523 1.00 2.02 C ATOM 0 H LEU A 128 -1.131 -9.182 2.620 1.00 0.99 H new ATOM 0 HA LEU A 128 -1.609 -7.228 4.684 1.00 1.07 H new ATOM 0 HB2 LEU A 128 -1.300 -6.702 2.311 1.00 1.19 H new ATOM 0 HB3 LEU A 128 -2.703 -7.666 1.893 1.00 1.19 H new ATOM 0 HG LEU A 128 -4.191 -6.132 2.998 1.00 1.33 H new ATOM 0 HD11 LEU A 128 -3.487 -4.035 4.027 1.00 2.43 H new ATOM 0 HD12 LEU A 128 -2.891 -5.454 4.921 1.00 2.43 H new ATOM 0 HD13 LEU A 128 -1.784 -4.531 3.877 1.00 2.43 H new ATOM 0 HD21 LEU A 128 -3.663 -4.087 1.586 1.00 2.02 H new ATOM 0 HD22 LEU A 128 -1.999 -4.686 1.384 1.00 2.02 H new ATOM 0 HD23 LEU A 128 -3.362 -5.587 0.678 1.00 2.02 H new ATOM 1924 N LEU A 129 -3.923 -9.444 3.976 1.00 1.09 N ATOM 1925 CA LEU A 129 -5.111 -10.109 4.460 1.00 1.13 C ATOM 1926 C LEU A 129 -4.802 -10.797 5.766 1.00 1.10 C ATOM 1927 O LEU A 129 -5.709 -10.921 6.564 1.00 1.10 O ATOM 1928 CB LEU A 129 -5.640 -11.146 3.456 1.00 1.17 C ATOM 1929 CG LEU A 129 -6.724 -10.598 2.519 1.00 1.90 C ATOM 1930 CD1 LEU A 129 -8.022 -10.359 3.303 1.00 3.41 C ATOM 1931 CD2 LEU A 129 -6.300 -9.317 1.797 1.00 3.02 C ATOM 0 H LEU A 129 -3.512 -9.905 3.164 1.00 1.09 H new ATOM 0 HA LEU A 129 -5.883 -9.352 4.598 1.00 1.13 H new ATOM 0 HB2 LEU A 129 -4.808 -11.517 2.857 1.00 1.17 H new ATOM 0 HB3 LEU A 129 -6.043 -11.998 4.004 1.00 1.17 H new ATOM 0 HG LEU A 129 -6.888 -11.352 1.749 1.00 1.90 H new ATOM 0 HD11 LEU A 129 -8.787 -9.970 2.631 1.00 3.41 H new ATOM 0 HD12 LEU A 129 -8.364 -11.299 3.736 1.00 3.41 H new ATOM 0 HD13 LEU A 129 -7.838 -9.638 4.100 1.00 3.41 H new ATOM 0 HD21 LEU A 129 -7.109 -8.979 1.150 1.00 3.02 H new ATOM 0 HD22 LEU A 129 -6.076 -8.543 2.531 1.00 3.02 H new ATOM 0 HD23 LEU A 129 -5.413 -9.515 1.196 1.00 3.02 H new ATOM 1943 N THR A 130 -3.569 -11.237 6.016 1.00 1.09 N ATOM 1944 CA THR A 130 -3.250 -11.836 7.302 1.00 1.11 C ATOM 1945 C THR A 130 -3.336 -10.754 8.368 1.00 1.11 C ATOM 1946 O THR A 130 -4.002 -10.926 9.385 1.00 1.10 O ATOM 1947 CB THR A 130 -1.876 -12.519 7.251 1.00 1.15 C ATOM 1948 OG1 THR A 130 -1.968 -13.658 6.425 1.00 1.17 O ATOM 1949 CG2 THR A 130 -1.399 -12.994 8.624 1.00 1.25 C ATOM 0 H THR A 130 -2.792 -11.190 5.357 1.00 1.09 H new ATOM 0 HA THR A 130 -3.965 -12.620 7.553 1.00 1.11 H new ATOM 0 HB THR A 130 -1.167 -11.782 6.873 1.00 1.15 H new ATOM 0 HG1 THR A 130 -1.976 -13.381 5.485 1.00 1.17 H new ATOM 0 HG21 THR A 130 -0.423 -13.469 8.526 1.00 1.25 H new ATOM 0 HG22 THR A 130 -1.321 -12.141 9.298 1.00 1.25 H new ATOM 0 HG23 THR A 130 -2.112 -13.712 9.029 1.00 1.25 H new ATOM 1957 N ALA A 131 -2.695 -9.612 8.132 1.00 1.16 N ATOM 1958 CA ALA A 131 -2.733 -8.548 9.127 1.00 1.20 C ATOM 1959 C ALA A 131 -4.132 -7.945 9.233 1.00 1.20 C ATOM 1960 O ALA A 131 -4.550 -7.553 10.317 1.00 1.22 O ATOM 1961 CB ALA A 131 -1.675 -7.504 8.767 1.00 1.33 C ATOM 0 H ALA A 131 -2.160 -9.404 7.289 1.00 1.16 H new ATOM 0 HA ALA A 131 -2.503 -8.952 10.113 1.00 1.20 H new ATOM 0 HB1 ALA A 131 -1.691 -6.700 9.503 1.00 1.33 H new ATOM 0 HB2 ALA A 131 -0.690 -7.971 8.761 1.00 1.33 H new ATOM 0 HB3 ALA A 131 -1.888 -7.095 7.779 1.00 1.33 H new ATOM 1967 N LEU A 132 -4.872 -7.885 8.128 1.00 1.18 N ATOM 1968 CA LEU A 132 -6.235 -7.381 8.137 1.00 1.18 C ATOM 1969 C LEU A 132 -7.209 -8.448 8.632 1.00 1.22 C ATOM 1970 O LEU A 132 -8.328 -8.089 8.975 1.00 1.24 O ATOM 1971 CB LEU A 132 -6.663 -6.896 6.747 1.00 1.15 C ATOM 1972 CG LEU A 132 -5.954 -5.630 6.250 1.00 1.56 C ATOM 1973 CD1 LEU A 132 -6.337 -5.409 4.784 1.00 1.86 C ATOM 1974 CD2 LEU A 132 -6.387 -4.396 7.037 1.00 2.20 C ATOM 0 H LEU A 132 -4.543 -8.183 7.210 1.00 1.18 H new ATOM 0 HA LEU A 132 -6.259 -6.533 8.822 1.00 1.18 H new ATOM 0 HB2 LEU A 132 -6.486 -7.697 6.030 1.00 1.15 H new ATOM 0 HB3 LEU A 132 -7.737 -6.711 6.759 1.00 1.15 H new ATOM 0 HG LEU A 132 -4.880 -5.767 6.377 1.00 1.56 H new ATOM 0 HD11 LEU A 132 -5.843 -4.512 4.410 1.00 1.86 H new ATOM 0 HD12 LEU A 132 -6.024 -6.269 4.192 1.00 1.86 H new ATOM 0 HD13 LEU A 132 -7.417 -5.288 4.704 1.00 1.86 H new ATOM 0 HD21 LEU A 132 -5.863 -3.519 6.656 1.00 2.20 H new ATOM 0 HD22 LEU A 132 -7.462 -4.253 6.927 1.00 2.20 H new ATOM 0 HD23 LEU A 132 -6.145 -4.533 8.091 1.00 2.20 H new ATOM 1986 N ASP A 133 -6.824 -9.728 8.702 1.00 1.24 N ATOM 1987 CA ASP A 133 -7.680 -10.818 9.191 1.00 1.21 C ATOM 1988 C ASP A 133 -8.141 -10.500 10.605 1.00 1.02 C ATOM 1989 O ASP A 133 -9.262 -10.813 11.003 1.00 0.90 O ATOM 1990 CB ASP A 133 -6.975 -12.183 9.181 1.00 1.49 C ATOM 1991 CG ASP A 133 -7.969 -13.275 8.796 1.00 1.61 C ATOM 1992 OD1 ASP A 133 -8.186 -13.446 7.576 1.00 1.99 O ATOM 1993 OD2 ASP A 133 -8.536 -13.899 9.718 1.00 2.61 O ATOM 0 H ASP A 133 -5.896 -10.041 8.417 1.00 1.24 H new ATOM 0 HA ASP A 133 -8.529 -10.890 8.512 1.00 1.21 H new ATOM 0 HB2 ASP A 133 -6.145 -12.169 8.475 1.00 1.49 H new ATOM 0 HB3 ASP A 133 -6.554 -12.392 10.164 1.00 1.49 H new ATOM 1998 N THR A 134 -7.268 -9.780 11.318 1.00 1.07 N ATOM 1999 CA THR A 134 -7.456 -9.216 12.640 1.00 1.05 C ATOM 2000 C THR A 134 -8.678 -8.282 12.744 1.00 0.92 C ATOM 2001 O THR A 134 -8.988 -7.824 13.843 1.00 0.98 O ATOM 2002 CB THR A 134 -6.122 -8.570 13.062 1.00 1.25 C ATOM 2003 OG1 THR A 134 -5.892 -8.827 14.429 1.00 1.78 O ATOM 2004 CG2 THR A 134 -6.113 -7.065 12.857 1.00 1.50 C ATOM 0 H THR A 134 -6.342 -9.565 10.948 1.00 1.07 H new ATOM 0 HA THR A 134 -7.707 -10.005 13.348 1.00 1.05 H new ATOM 0 HB THR A 134 -5.344 -9.005 12.435 1.00 1.25 H new ATOM 0 HG1 THR A 134 -5.043 -8.419 14.700 1.00 1.78 H new ATOM 0 HG21 THR A 134 -5.150 -6.661 13.170 1.00 1.50 H new ATOM 0 HG22 THR A 134 -6.275 -6.840 11.803 1.00 1.50 H new ATOM 0 HG23 THR A 134 -6.907 -6.612 13.451 1.00 1.50 H new ATOM 2012 N THR A 135 -9.376 -8.001 11.638 1.00 0.87 N ATOM 2013 CA THR A 135 -10.614 -7.251 11.587 1.00 0.94 C ATOM 2014 C THR A 135 -11.611 -8.011 10.701 1.00 1.03 C ATOM 2015 O THR A 135 -11.230 -8.755 9.796 1.00 1.79 O ATOM 2016 CB THR A 135 -10.347 -5.831 11.052 1.00 1.12 C ATOM 2017 OG1 THR A 135 -10.033 -5.844 9.676 1.00 1.21 O ATOM 2018 CG2 THR A 135 -9.213 -5.109 11.789 1.00 1.42 C ATOM 0 H THR A 135 -9.069 -8.310 10.716 1.00 0.87 H new ATOM 0 HA THR A 135 -11.039 -7.149 12.585 1.00 0.94 H new ATOM 0 HB THR A 135 -11.277 -5.289 11.225 1.00 1.12 H new ATOM 0 HG1 THR A 135 -9.470 -6.621 9.476 1.00 1.21 H new ATOM 0 HG21 THR A 135 -9.077 -4.115 11.363 1.00 1.42 H new ATOM 0 HG22 THR A 135 -9.465 -5.020 12.846 1.00 1.42 H new ATOM 0 HG23 THR A 135 -8.290 -5.678 11.683 1.00 1.42 H new ATOM 2026 N ASP A 136 -12.907 -7.825 10.926 1.00 1.13 N ATOM 2027 CA ASP A 136 -13.981 -8.350 10.097 1.00 1.28 C ATOM 2028 C ASP A 136 -14.614 -7.196 9.335 1.00 1.39 C ATOM 2029 O ASP A 136 -15.794 -6.891 9.471 1.00 1.62 O ATOM 2030 CB ASP A 136 -14.976 -9.176 10.929 1.00 1.72 C ATOM 2031 CG ASP A 136 -15.674 -8.396 12.050 1.00 1.97 C ATOM 2032 OD1 ASP A 136 -15.004 -7.521 12.649 1.00 2.39 O ATOM 2033 OD2 ASP A 136 -16.835 -8.751 12.351 1.00 2.91 O ATOM 0 H ASP A 136 -13.249 -7.284 11.720 1.00 1.13 H new ATOM 0 HA ASP A 136 -13.589 -9.052 9.361 1.00 1.28 H new ATOM 0 HB2 ASP A 136 -15.735 -9.585 10.262 1.00 1.72 H new ATOM 0 HB3 ASP A 136 -14.448 -10.022 11.368 1.00 1.72 H new ATOM 2038 N ALA A 137 -13.786 -6.560 8.505 1.00 1.40 N ATOM 2039 CA ALA A 137 -14.139 -5.398 7.727 1.00 1.54 C ATOM 2040 C ALA A 137 -14.225 -5.824 6.256 1.00 1.44 C ATOM 2041 O ALA A 137 -14.952 -6.751 5.899 1.00 1.69 O ATOM 2042 CB ALA A 137 -13.065 -4.339 8.027 1.00 1.74 C ATOM 0 H ALA A 137 -12.822 -6.859 8.359 1.00 1.40 H new ATOM 0 HA ALA A 137 -15.109 -4.966 7.973 1.00 1.54 H new ATOM 0 HB1 ALA A 137 -13.281 -3.432 7.463 1.00 1.74 H new ATOM 0 HB2 ALA A 137 -13.066 -4.112 9.093 1.00 1.74 H new ATOM 0 HB3 ALA A 137 -12.086 -4.722 7.738 1.00 1.74 H new ATOM 2048 N ASP A 138 -13.439 -5.187 5.400 1.00 1.23 N ATOM 2049 CA ASP A 138 -13.383 -5.417 3.966 1.00 1.11 C ATOM 2050 C ASP A 138 -12.043 -4.873 3.485 1.00 1.02 C ATOM 2051 O ASP A 138 -11.452 -4.010 4.138 1.00 1.13 O ATOM 2052 CB ASP A 138 -14.543 -4.701 3.265 1.00 1.15 C ATOM 2053 CG ASP A 138 -14.526 -4.947 1.758 1.00 1.35 C ATOM 2054 OD1 ASP A 138 -13.867 -4.147 1.058 1.00 2.18 O ATOM 2055 OD2 ASP A 138 -15.157 -5.937 1.328 1.00 2.27 O ATOM 0 H ASP A 138 -12.791 -4.460 5.703 1.00 1.23 H new ATOM 0 HA ASP A 138 -13.474 -6.478 3.735 1.00 1.11 H new ATOM 0 HB2 ASP A 138 -15.489 -5.047 3.680 1.00 1.15 H new ATOM 0 HB3 ASP A 138 -14.482 -3.630 3.460 1.00 1.15 H new ATOM 2060 N VAL A 139 -11.544 -5.387 2.367 1.00 0.92 N ATOM 2061 CA VAL A 139 -10.323 -4.914 1.752 1.00 0.88 C ATOM 2062 C VAL A 139 -10.616 -4.676 0.277 1.00 0.82 C ATOM 2063 O VAL A 139 -10.855 -5.616 -0.483 1.00 1.02 O ATOM 2064 CB VAL A 139 -9.177 -5.896 2.041 1.00 0.91 C ATOM 2065 CG1 VAL A 139 -9.399 -7.308 1.500 1.00 1.22 C ATOM 2066 CG2 VAL A 139 -7.850 -5.368 1.496 1.00 1.28 C ATOM 0 H VAL A 139 -11.987 -6.154 1.860 1.00 0.92 H new ATOM 0 HA VAL A 139 -9.983 -3.966 2.168 1.00 0.88 H new ATOM 0 HB VAL A 139 -9.149 -5.969 3.128 1.00 0.91 H new ATOM 0 HG11 VAL A 139 -8.541 -7.932 1.750 1.00 1.22 H new ATOM 0 HG12 VAL A 139 -10.299 -7.732 1.947 1.00 1.22 H new ATOM 0 HG13 VAL A 139 -9.516 -7.268 0.417 1.00 1.22 H new ATOM 0 HG21 VAL A 139 -7.057 -6.083 1.715 1.00 1.28 H new ATOM 0 HG22 VAL A 139 -7.928 -5.231 0.417 1.00 1.28 H new ATOM 0 HG23 VAL A 139 -7.618 -4.413 1.967 1.00 1.28 H new ATOM 2076 N ALA A 140 -10.600 -3.405 -0.124 1.00 0.76 N ATOM 2077 CA ALA A 140 -10.900 -3.012 -1.483 1.00 0.73 C ATOM 2078 C ALA A 140 -9.575 -2.795 -2.203 1.00 0.75 C ATOM 2079 O ALA A 140 -8.923 -1.776 -2.008 1.00 1.07 O ATOM 2080 CB ALA A 140 -11.765 -1.747 -1.474 1.00 0.74 C ATOM 0 H ALA A 140 -10.377 -2.624 0.493 1.00 0.76 H new ATOM 0 HA ALA A 140 -11.467 -3.782 -2.006 1.00 0.73 H new ATOM 0 HB1 ALA A 140 -11.990 -1.453 -2.499 1.00 0.74 H new ATOM 0 HB2 ALA A 140 -12.695 -1.946 -0.941 1.00 0.74 H new ATOM 0 HB3 ALA A 140 -11.226 -0.941 -0.975 1.00 0.74 H new ATOM 2086 N ILE A 141 -9.151 -3.721 -3.056 1.00 0.74 N ATOM 2087 CA ILE A 141 -7.923 -3.546 -3.806 1.00 0.69 C ATOM 2088 C ILE A 141 -8.292 -2.710 -5.023 1.00 0.74 C ATOM 2089 O ILE A 141 -9.353 -2.913 -5.597 1.00 0.85 O ATOM 2090 CB ILE A 141 -7.372 -4.914 -4.248 1.00 0.73 C ATOM 2091 CG1 ILE A 141 -7.154 -5.860 -3.051 1.00 1.00 C ATOM 2092 CG2 ILE A 141 -6.055 -4.705 -5.008 1.00 1.15 C ATOM 2093 CD1 ILE A 141 -8.187 -6.988 -3.030 1.00 1.16 C ATOM 0 H ILE A 141 -9.641 -4.596 -3.242 1.00 0.74 H new ATOM 0 HA ILE A 141 -7.152 -3.062 -3.206 1.00 0.69 H new ATOM 0 HB ILE A 141 -8.108 -5.385 -4.900 1.00 0.73 H new ATOM 0 HG12 ILE A 141 -6.151 -6.285 -3.100 1.00 1.00 H new ATOM 0 HG13 ILE A 141 -7.215 -5.293 -2.122 1.00 1.00 H new ATOM 0 HG21 ILE A 141 -5.660 -5.671 -5.324 1.00 1.15 H new ATOM 0 HG22 ILE A 141 -6.236 -4.083 -5.885 1.00 1.15 H new ATOM 0 HG23 ILE A 141 -5.333 -4.213 -4.356 1.00 1.15 H new ATOM 0 HD11 ILE A 141 -8.002 -7.635 -2.172 1.00 1.16 H new ATOM 0 HD12 ILE A 141 -9.188 -6.563 -2.955 1.00 1.16 H new ATOM 0 HD13 ILE A 141 -8.108 -7.571 -3.948 1.00 1.16 H new ATOM 2105 N TYR A 142 -7.430 -1.793 -5.444 1.00 0.74 N ATOM 2106 CA TYR A 142 -7.655 -0.978 -6.625 1.00 0.86 C ATOM 2107 C TYR A 142 -6.403 -1.006 -7.489 1.00 0.88 C ATOM 2108 O TYR A 142 -5.293 -0.842 -6.984 1.00 0.97 O ATOM 2109 CB TYR A 142 -8.061 0.448 -6.234 1.00 1.02 C ATOM 2110 CG TYR A 142 -6.957 1.307 -5.647 1.00 1.57 C ATOM 2111 CD1 TYR A 142 -6.267 2.221 -6.464 1.00 3.29 C ATOM 2112 CD2 TYR A 142 -6.623 1.197 -4.285 1.00 3.12 C ATOM 2113 CE1 TYR A 142 -5.260 3.030 -5.917 1.00 4.73 C ATOM 2114 CE2 TYR A 142 -5.650 2.042 -3.719 1.00 4.41 C ATOM 2115 CZ TYR A 142 -4.967 2.970 -4.538 1.00 4.87 C ATOM 2116 OH TYR A 142 -4.018 3.800 -4.016 1.00 6.51 O ATOM 0 H TYR A 142 -6.549 -1.595 -4.970 1.00 0.74 H new ATOM 0 HA TYR A 142 -8.483 -1.385 -7.206 1.00 0.86 H new ATOM 0 HB2 TYR A 142 -8.456 0.949 -7.118 1.00 1.02 H new ATOM 0 HB3 TYR A 142 -8.874 0.389 -5.511 1.00 1.02 H new ATOM 0 HD1 TYR A 142 -6.513 2.300 -7.513 1.00 3.29 H new ATOM 0 HD2 TYR A 142 -7.116 0.459 -3.670 1.00 3.12 H new ATOM 0 HE1 TYR A 142 -4.706 3.703 -6.555 1.00 4.73 H new ATOM 0 HE2 TYR A 142 -5.426 1.982 -2.664 1.00 4.41 H new ATOM 0 HH TYR A 142 -3.934 3.637 -3.053 1.00 6.51 H new ATOM 2126 N CYS A 143 -6.567 -1.230 -8.793 1.00 0.89 N ATOM 2127 CA CYS A 143 -5.483 -1.025 -9.736 1.00 0.92 C ATOM 2128 C CYS A 143 -6.061 -0.863 -11.135 1.00 1.00 C ATOM 2129 O CYS A 143 -6.977 -1.585 -11.532 1.00 1.02 O ATOM 2130 CB CYS A 143 -4.503 -2.204 -9.694 1.00 0.99 C ATOM 2131 SG CYS A 143 -2.972 -1.791 -10.583 1.00 2.56 S ATOM 0 H CYS A 143 -7.439 -1.552 -9.213 1.00 0.89 H new ATOM 0 HA CYS A 143 -4.935 -0.123 -9.464 1.00 0.92 H new ATOM 0 HB2 CYS A 143 -4.273 -2.456 -8.659 1.00 0.99 H new ATOM 0 HB3 CYS A 143 -4.964 -3.084 -10.142 1.00 0.99 H new ATOM 0 HG CYS A 143 -2.155 -2.801 -10.534 1.00 2.56 H new ATOM 2137 N ARG A 144 -5.490 0.058 -11.902 1.00 1.16 N ATOM 2138 CA ARG A 144 -5.791 0.223 -13.311 1.00 1.29 C ATOM 2139 C ARG A 144 -4.937 -0.754 -14.116 1.00 1.33 C ATOM 2140 O ARG A 144 -3.744 -0.531 -14.282 1.00 1.57 O ATOM 2141 CB ARG A 144 -5.539 1.687 -13.705 1.00 1.54 C ATOM 2142 CG ARG A 144 -4.108 2.182 -13.410 1.00 1.69 C ATOM 2143 CD ARG A 144 -3.348 2.457 -14.705 1.00 2.21 C ATOM 2144 NE ARG A 144 -3.918 3.608 -15.413 1.00 2.52 N ATOM 2145 CZ ARG A 144 -3.614 3.923 -16.677 1.00 3.02 C ATOM 2146 NH1 ARG A 144 -4.199 4.965 -17.266 1.00 3.68 N ATOM 2147 NH2 ARG A 144 -2.721 3.193 -17.351 1.00 3.59 N ATOM 0 H ARG A 144 -4.795 0.719 -11.554 1.00 1.16 H new ATOM 0 HA ARG A 144 -6.837 -0.001 -13.522 1.00 1.29 H new ATOM 0 HB2 ARG A 144 -5.740 1.805 -14.770 1.00 1.54 H new ATOM 0 HB3 ARG A 144 -6.248 2.322 -13.174 1.00 1.54 H new ATOM 0 HG2 ARG A 144 -4.150 3.090 -12.809 1.00 1.69 H new ATOM 0 HG3 ARG A 144 -3.575 1.435 -12.822 1.00 1.69 H new ATOM 0 HD2 ARG A 144 -2.298 2.646 -14.482 1.00 2.21 H new ATOM 0 HD3 ARG A 144 -3.384 1.576 -15.346 1.00 2.21 H new ATOM 0 HE ARG A 144 -4.582 4.200 -14.915 1.00 2.52 H new ATOM 0 HH11 ARG A 144 -4.880 5.525 -16.753 1.00 3.68 H new ATOM 0 HH12 ARG A 144 -3.966 5.203 -18.230 1.00 3.68 H new ATOM 0 HH21 ARG A 144 -2.271 2.395 -16.902 1.00 3.59 H new ATOM 0 HH22 ARG A 144 -2.489 3.433 -18.315 1.00 3.59 H new ATOM 2161 N ASP A 145 -5.537 -1.844 -14.596 1.00 1.20 N ATOM 2162 CA ASP A 145 -4.877 -2.779 -15.519 1.00 1.28 C ATOM 2163 C ASP A 145 -5.861 -3.832 -16.026 1.00 1.17 C ATOM 2164 O ASP A 145 -5.709 -4.383 -17.111 1.00 1.39 O ATOM 2165 CB ASP A 145 -3.685 -3.503 -14.862 1.00 1.31 C ATOM 2166 CG ASP A 145 -2.563 -3.798 -15.868 1.00 1.90 C ATOM 2167 OD1 ASP A 145 -1.518 -4.331 -15.432 1.00 2.09 O ATOM 2168 OD2 ASP A 145 -2.753 -3.507 -17.066 1.00 3.11 O ATOM 0 H ASP A 145 -6.493 -2.107 -14.358 1.00 1.20 H new ATOM 0 HA ASP A 145 -4.509 -2.177 -16.350 1.00 1.28 H new ATOM 0 HB2 ASP A 145 -3.292 -2.891 -14.050 1.00 1.31 H new ATOM 0 HB3 ASP A 145 -4.029 -4.437 -14.418 1.00 1.31 H new ATOM 2173 N LYS A 146 -6.879 -4.148 -15.219 1.00 1.03 N ATOM 2174 CA LYS A 146 -7.992 -5.025 -15.567 1.00 1.04 C ATOM 2175 C LYS A 146 -7.624 -6.500 -15.460 1.00 1.01 C ATOM 2176 O LYS A 146 -8.295 -7.239 -14.746 1.00 0.97 O ATOM 2177 CB LYS A 146 -8.633 -4.650 -16.907 1.00 1.16 C ATOM 2178 CG LYS A 146 -9.930 -5.437 -17.114 1.00 1.23 C ATOM 2179 CD LYS A 146 -10.854 -4.673 -18.060 1.00 1.80 C ATOM 2180 CE LYS A 146 -11.586 -3.580 -17.270 1.00 2.43 C ATOM 2181 NZ LYS A 146 -12.578 -2.875 -18.110 1.00 3.32 N ATOM 0 H LYS A 146 -6.949 -3.783 -14.269 1.00 1.03 H new ATOM 0 HA LYS A 146 -8.767 -4.863 -14.818 1.00 1.04 H new ATOM 0 HB2 LYS A 146 -8.841 -3.580 -16.932 1.00 1.16 H new ATOM 0 HB3 LYS A 146 -7.939 -4.859 -17.721 1.00 1.16 H new ATOM 0 HG2 LYS A 146 -9.707 -6.421 -17.525 1.00 1.23 H new ATOM 0 HG3 LYS A 146 -10.426 -5.596 -16.157 1.00 1.23 H new ATOM 0 HD2 LYS A 146 -10.278 -4.229 -18.872 1.00 1.80 H new ATOM 0 HD3 LYS A 146 -11.573 -5.354 -18.515 1.00 1.80 H new ATOM 0 HE2 LYS A 146 -12.087 -4.025 -16.410 1.00 2.43 H new ATOM 0 HE3 LYS A 146 -10.862 -2.864 -16.882 1.00 2.43 H new ATOM 0 HZ1 LYS A 146 -13.054 -2.143 -17.545 1.00 3.32 H new ATOM 0 HZ2 LYS A 146 -12.096 -2.430 -18.917 1.00 3.32 H new ATOM 0 HZ3 LYS A 146 -13.283 -3.555 -18.460 1.00 3.32 H new ATOM 2195 N LYS A 147 -6.515 -6.956 -16.047 1.00 1.06 N ATOM 2196 CA LYS A 147 -6.055 -8.309 -15.728 1.00 1.06 C ATOM 2197 C LYS A 147 -5.889 -8.506 -14.223 1.00 0.99 C ATOM 2198 O LYS A 147 -6.015 -9.628 -13.743 1.00 0.96 O ATOM 2199 CB LYS A 147 -4.751 -8.671 -16.452 1.00 1.14 C ATOM 2200 CG LYS A 147 -5.012 -9.236 -17.858 1.00 1.36 C ATOM 2201 CD LYS A 147 -3.980 -10.320 -18.199 1.00 1.83 C ATOM 2202 CE LYS A 147 -4.315 -11.033 -19.514 1.00 2.53 C ATOM 2203 NZ LYS A 147 -4.087 -10.176 -20.695 1.00 3.00 N ATOM 0 H LYS A 147 -5.943 -6.438 -16.714 1.00 1.06 H new ATOM 0 HA LYS A 147 -6.833 -8.984 -16.085 1.00 1.06 H new ATOM 0 HB2 LYS A 147 -4.120 -7.785 -16.528 1.00 1.14 H new ATOM 0 HB3 LYS A 147 -4.200 -9.404 -15.863 1.00 1.14 H new ATOM 0 HG2 LYS A 147 -6.018 -9.654 -17.908 1.00 1.36 H new ATOM 0 HG3 LYS A 147 -4.963 -8.434 -18.594 1.00 1.36 H new ATOM 0 HD2 LYS A 147 -2.990 -9.869 -18.272 1.00 1.83 H new ATOM 0 HD3 LYS A 147 -3.939 -11.050 -17.390 1.00 1.83 H new ATOM 0 HE2 LYS A 147 -3.708 -11.934 -19.600 1.00 2.53 H new ATOM 0 HE3 LYS A 147 -5.357 -11.352 -19.496 1.00 2.53 H new ATOM 0 HZ1 LYS A 147 -4.328 -10.703 -21.558 1.00 3.00 H new ATOM 0 HZ2 LYS A 147 -4.685 -9.328 -20.629 1.00 3.00 H new ATOM 0 HZ3 LYS A 147 -3.087 -9.892 -20.730 1.00 3.00 H new ATOM 2217 N TRP A 148 -5.607 -7.448 -13.466 1.00 0.99 N ATOM 2218 CA TRP A 148 -5.380 -7.584 -12.039 1.00 0.96 C ATOM 2219 C TRP A 148 -6.716 -7.741 -11.324 1.00 0.94 C ATOM 2220 O TRP A 148 -6.784 -8.466 -10.338 1.00 0.91 O ATOM 2221 CB TRP A 148 -4.572 -6.397 -11.496 1.00 1.02 C ATOM 2222 CG TRP A 148 -3.165 -6.260 -12.008 1.00 1.79 C ATOM 2223 CD1 TRP A 148 -2.782 -6.444 -13.291 1.00 2.82 C ATOM 2224 CD2 TRP A 148 -1.955 -5.818 -11.307 1.00 2.59 C ATOM 2225 NE1 TRP A 148 -1.454 -6.126 -13.438 1.00 4.25 N ATOM 2226 CE2 TRP A 148 -0.884 -5.748 -12.247 1.00 4.16 C ATOM 2227 CE3 TRP A 148 -1.653 -5.422 -9.986 1.00 2.33 C ATOM 2228 CZ2 TRP A 148 0.405 -5.314 -11.909 1.00 5.32 C ATOM 2229 CZ3 TRP A 148 -0.361 -4.980 -9.634 1.00 3.41 C ATOM 2230 CH2 TRP A 148 0.669 -4.931 -10.587 1.00 4.89 C ATOM 0 H TRP A 148 -5.532 -6.494 -13.819 1.00 0.99 H new ATOM 0 HA TRP A 148 -4.786 -8.479 -11.851 1.00 0.96 H new ATOM 0 HB2 TRP A 148 -5.112 -5.480 -11.730 1.00 1.02 H new ATOM 0 HB3 TRP A 148 -4.535 -6.477 -10.410 1.00 1.02 H new ATOM 0 HD1 TRP A 148 -3.427 -6.791 -14.085 1.00 2.82 H new ATOM 0 HE1 TRP A 148 -0.952 -6.166 -14.325 1.00 4.25 H new ATOM 0 HE3 TRP A 148 -2.425 -5.458 -9.232 1.00 2.33 H new ATOM 0 HZ2 TRP A 148 1.184 -5.275 -12.656 1.00 5.32 H new ATOM 0 HZ3 TRP A 148 -0.161 -4.675 -8.617 1.00 3.41 H new ATOM 0 HH2 TRP A 148 1.657 -4.601 -10.303 1.00 4.89 H new ATOM 2241 N GLU A 149 -7.791 -7.117 -11.823 1.00 0.98 N ATOM 2242 CA GLU A 149 -9.109 -7.360 -11.228 1.00 0.96 C ATOM 2243 C GLU A 149 -9.517 -8.806 -11.494 1.00 0.92 C ATOM 2244 O GLU A 149 -10.086 -9.466 -10.629 1.00 0.91 O ATOM 2245 CB GLU A 149 -10.202 -6.335 -11.619 1.00 1.13 C ATOM 2246 CG GLU A 149 -10.761 -6.408 -13.051 1.00 1.94 C ATOM 2247 CD GLU A 149 -12.050 -5.596 -13.258 1.00 2.50 C ATOM 2248 OE1 GLU A 149 -13.084 -5.933 -12.643 1.00 3.64 O ATOM 2249 OE2 GLU A 149 -12.055 -4.636 -14.067 1.00 2.74 O ATOM 0 H GLU A 149 -7.778 -6.465 -12.607 1.00 0.98 H new ATOM 0 HA GLU A 149 -9.013 -7.205 -10.153 1.00 0.96 H new ATOM 0 HB2 GLU A 149 -11.035 -6.450 -10.926 1.00 1.13 H new ATOM 0 HB3 GLU A 149 -9.796 -5.335 -11.466 1.00 1.13 H new ATOM 0 HG2 GLU A 149 -10.002 -6.049 -13.746 1.00 1.94 H new ATOM 0 HG3 GLU A 149 -10.956 -7.451 -13.302 1.00 1.94 H new ATOM 2256 N MET A 150 -9.174 -9.317 -12.678 1.00 0.95 N ATOM 2257 CA MET A 150 -9.493 -10.679 -13.064 1.00 1.00 C ATOM 2258 C MET A 150 -8.793 -11.651 -12.124 1.00 0.95 C ATOM 2259 O MET A 150 -9.439 -12.477 -11.488 1.00 0.93 O ATOM 2260 CB MET A 150 -9.107 -10.918 -14.532 1.00 1.11 C ATOM 2261 CG MET A 150 -10.302 -11.501 -15.285 1.00 1.27 C ATOM 2262 SD MET A 150 -10.013 -11.743 -17.055 1.00 1.69 S ATOM 2263 CE MET A 150 -11.625 -12.436 -17.505 1.00 2.45 C ATOM 0 H MET A 150 -8.667 -8.792 -13.391 1.00 0.95 H new ATOM 0 HA MET A 150 -10.567 -10.846 -12.981 1.00 1.00 H new ATOM 0 HB2 MET A 150 -8.794 -9.982 -14.994 1.00 1.11 H new ATOM 0 HB3 MET A 150 -8.259 -11.601 -14.590 1.00 1.11 H new ATOM 0 HG2 MET A 150 -10.568 -12.458 -14.837 1.00 1.27 H new ATOM 0 HG3 MET A 150 -11.158 -10.839 -15.155 1.00 1.27 H new ATOM 0 HE1 MET A 150 -11.642 -12.654 -18.573 1.00 2.45 H new ATOM 0 HE2 MET A 150 -11.795 -13.355 -16.944 1.00 2.45 H new ATOM 0 HE3 MET A 150 -12.409 -11.717 -17.269 1.00 2.45 H new ATOM 2273 N THR A 151 -7.470 -11.546 -12.011 1.00 0.97 N ATOM 2274 CA THR A 151 -6.675 -12.465 -11.228 1.00 1.02 C ATOM 2275 C THR A 151 -7.068 -12.401 -9.765 1.00 0.91 C ATOM 2276 O THR A 151 -7.210 -13.433 -9.112 1.00 0.96 O ATOM 2277 CB THR A 151 -5.194 -12.126 -11.415 1.00 1.16 C ATOM 2278 OG1 THR A 151 -4.859 -12.098 -12.787 1.00 1.20 O ATOM 2279 CG2 THR A 151 -4.310 -13.177 -10.766 1.00 1.37 C ATOM 0 H THR A 151 -6.925 -10.814 -12.466 1.00 0.97 H new ATOM 0 HA THR A 151 -6.854 -13.485 -11.569 1.00 1.02 H new ATOM 0 HB THR A 151 -5.032 -11.151 -10.955 1.00 1.16 H new ATOM 0 HG1 THR A 151 -5.149 -11.247 -13.177 1.00 1.20 H new ATOM 0 HG21 THR A 151 -3.263 -12.913 -10.913 1.00 1.37 H new ATOM 0 HG22 THR A 151 -4.526 -13.225 -9.699 1.00 1.37 H new ATOM 0 HG23 THR A 151 -4.506 -14.148 -11.220 1.00 1.37 H new ATOM 2287 N LEU A 152 -7.267 -11.195 -9.238 1.00 0.81 N ATOM 2288 CA LEU A 152 -7.673 -11.055 -7.854 1.00 0.75 C ATOM 2289 C LEU A 152 -9.036 -11.693 -7.656 1.00 0.69 C ATOM 2290 O LEU A 152 -9.266 -12.288 -6.611 1.00 0.71 O ATOM 2291 CB LEU A 152 -7.665 -9.583 -7.421 1.00 0.78 C ATOM 2292 CG LEU A 152 -6.234 -9.083 -7.162 1.00 1.02 C ATOM 2293 CD1 LEU A 152 -6.205 -7.557 -7.131 1.00 2.11 C ATOM 2294 CD2 LEU A 152 -5.710 -9.599 -5.817 1.00 1.77 C ATOM 0 H LEU A 152 -7.154 -10.317 -9.744 1.00 0.81 H new ATOM 0 HA LEU A 152 -6.955 -11.573 -7.218 1.00 0.75 H new ATOM 0 HB2 LEU A 152 -8.131 -8.972 -8.194 1.00 0.78 H new ATOM 0 HB3 LEU A 152 -8.263 -9.465 -6.517 1.00 0.78 H new ATOM 0 HG LEU A 152 -5.604 -9.457 -7.969 1.00 1.02 H new ATOM 0 HD11 LEU A 152 -5.186 -7.216 -6.947 1.00 2.11 H new ATOM 0 HD12 LEU A 152 -6.551 -7.167 -8.088 1.00 2.11 H new ATOM 0 HD13 LEU A 152 -6.857 -7.197 -6.336 1.00 2.11 H new ATOM 0 HD21 LEU A 152 -4.696 -9.232 -5.656 1.00 1.77 H new ATOM 0 HD22 LEU A 152 -6.356 -9.244 -5.014 1.00 1.77 H new ATOM 0 HD23 LEU A 152 -5.705 -10.689 -5.823 1.00 1.77 H new ATOM 2306 N LYS A 153 -9.935 -11.631 -8.641 1.00 0.73 N ATOM 2307 CA LYS A 153 -11.211 -12.317 -8.490 1.00 0.86 C ATOM 2308 C LYS A 153 -11.033 -13.822 -8.595 1.00 0.98 C ATOM 2309 O LYS A 153 -11.777 -14.559 -7.966 1.00 1.09 O ATOM 2310 CB LYS A 153 -12.258 -11.817 -9.491 1.00 1.02 C ATOM 2311 CG LYS A 153 -12.929 -10.554 -8.937 1.00 1.20 C ATOM 2312 CD LYS A 153 -14.274 -10.285 -9.616 1.00 1.74 C ATOM 2313 CE LYS A 153 -15.067 -9.312 -8.737 1.00 2.82 C ATOM 2314 NZ LYS A 153 -16.473 -9.189 -9.178 1.00 3.58 N ATOM 0 H LYS A 153 -9.808 -11.131 -9.521 1.00 0.73 H new ATOM 0 HA LYS A 153 -11.585 -12.084 -7.493 1.00 0.86 H new ATOM 0 HB2 LYS A 153 -11.787 -11.601 -10.450 1.00 1.02 H new ATOM 0 HB3 LYS A 153 -13.005 -12.590 -9.670 1.00 1.02 H new ATOM 0 HG2 LYS A 153 -13.079 -10.662 -7.863 1.00 1.20 H new ATOM 0 HG3 LYS A 153 -12.270 -9.698 -9.082 1.00 1.20 H new ATOM 0 HD2 LYS A 153 -14.121 -9.862 -10.609 1.00 1.74 H new ATOM 0 HD3 LYS A 153 -14.826 -11.215 -9.747 1.00 1.74 H new ATOM 0 HE2 LYS A 153 -15.040 -9.653 -7.702 1.00 2.82 H new ATOM 0 HE3 LYS A 153 -14.592 -8.331 -8.762 1.00 2.82 H new ATOM 0 HZ1 LYS A 153 -16.974 -8.522 -8.557 1.00 3.58 H new ATOM 0 HZ2 LYS A 153 -16.500 -8.839 -10.157 1.00 3.58 H new ATOM 0 HZ3 LYS A 153 -16.934 -10.120 -9.130 1.00 3.58 H new ATOM 2328 N GLU A 154 -10.067 -14.298 -9.373 1.00 1.02 N ATOM 2329 CA GLU A 154 -9.892 -15.725 -9.597 1.00 1.18 C ATOM 2330 C GLU A 154 -9.422 -16.372 -8.302 1.00 1.19 C ATOM 2331 O GLU A 154 -9.898 -17.422 -7.886 1.00 1.35 O ATOM 2332 CB GLU A 154 -8.864 -15.958 -10.711 1.00 1.30 C ATOM 2333 CG GLU A 154 -9.167 -17.270 -11.449 1.00 1.66 C ATOM 2334 CD GLU A 154 -7.902 -18.093 -11.686 1.00 2.76 C ATOM 2335 OE1 GLU A 154 -7.433 -18.141 -12.841 1.00 3.55 O ATOM 2336 OE2 GLU A 154 -7.429 -18.700 -10.696 1.00 3.59 O ATOM 0 H GLU A 154 -9.390 -13.711 -9.861 1.00 1.02 H new ATOM 0 HA GLU A 154 -10.839 -16.170 -9.904 1.00 1.18 H new ATOM 0 HB2 GLU A 154 -8.884 -15.125 -11.413 1.00 1.30 H new ATOM 0 HB3 GLU A 154 -7.860 -15.994 -10.287 1.00 1.30 H new ATOM 0 HG2 GLU A 154 -9.879 -17.857 -10.869 1.00 1.66 H new ATOM 0 HG3 GLU A 154 -9.641 -17.048 -12.405 1.00 1.66 H new ATOM 2343 N ALA A 155 -8.483 -15.707 -7.641 1.00 1.09 N ATOM 2344 CA ALA A 155 -7.929 -16.153 -6.381 1.00 1.14 C ATOM 2345 C ALA A 155 -8.942 -15.971 -5.273 1.00 1.06 C ATOM 2346 O ALA A 155 -9.108 -16.877 -4.466 1.00 1.14 O ATOM 2347 CB ALA A 155 -6.630 -15.398 -6.085 1.00 1.12 C ATOM 0 H ALA A 155 -8.083 -14.830 -7.975 1.00 1.09 H new ATOM 0 HA ALA A 155 -7.693 -17.215 -6.445 1.00 1.14 H new ATOM 0 HB1 ALA A 155 -6.219 -15.739 -5.135 1.00 1.12 H new ATOM 0 HB2 ALA A 155 -5.910 -15.587 -6.881 1.00 1.12 H new ATOM 0 HB3 ALA A 155 -6.835 -14.329 -6.028 1.00 1.12 H new ATOM 2353 N VAL A 156 -9.656 -14.846 -5.237 1.00 0.93 N ATOM 2354 CA VAL A 156 -10.717 -14.673 -4.262 1.00 0.95 C ATOM 2355 C VAL A 156 -11.757 -15.773 -4.466 1.00 1.15 C ATOM 2356 O VAL A 156 -12.331 -16.241 -3.492 1.00 1.32 O ATOM 2357 CB VAL A 156 -11.278 -13.246 -4.372 1.00 0.83 C ATOM 2358 CG1 VAL A 156 -12.626 -13.072 -3.677 1.00 0.97 C ATOM 2359 CG2 VAL A 156 -10.291 -12.262 -3.732 1.00 0.72 C ATOM 0 H VAL A 156 -9.517 -14.054 -5.865 1.00 0.93 H new ATOM 0 HA VAL A 156 -10.350 -14.777 -3.241 1.00 0.95 H new ATOM 0 HB VAL A 156 -11.419 -13.052 -5.435 1.00 0.83 H new ATOM 0 HG11 VAL A 156 -12.965 -12.043 -3.793 1.00 0.97 H new ATOM 0 HG12 VAL A 156 -13.356 -13.747 -4.124 1.00 0.97 H new ATOM 0 HG13 VAL A 156 -12.521 -13.302 -2.617 1.00 0.97 H new ATOM 0 HG21 VAL A 156 -10.686 -11.249 -3.808 1.00 0.72 H new ATOM 0 HG22 VAL A 156 -10.151 -12.519 -2.682 1.00 0.72 H new ATOM 0 HG23 VAL A 156 -9.334 -12.318 -4.250 1.00 0.72 H new ATOM 2369 N ALA A 157 -11.960 -16.234 -5.702 1.00 1.20 N ATOM 2370 CA ALA A 157 -12.946 -17.269 -5.989 1.00 1.41 C ATOM 2371 C ALA A 157 -12.432 -18.620 -5.499 1.00 1.56 C ATOM 2372 O ALA A 157 -13.148 -19.387 -4.862 1.00 1.71 O ATOM 2373 CB ALA A 157 -13.253 -17.301 -7.487 1.00 1.50 C ATOM 0 H ALA A 157 -11.450 -15.903 -6.521 1.00 1.20 H new ATOM 0 HA ALA A 157 -13.873 -17.045 -5.462 1.00 1.41 H new ATOM 0 HB1 ALA A 157 -13.990 -18.077 -7.691 1.00 1.50 H new ATOM 0 HB2 ALA A 157 -13.649 -16.334 -7.798 1.00 1.50 H new ATOM 0 HB3 ALA A 157 -12.339 -17.514 -8.041 1.00 1.50 H new ATOM 2379 N ARG A 158 -11.164 -18.934 -5.775 1.00 1.57 N ATOM 2380 CA ARG A 158 -10.568 -20.194 -5.374 1.00 1.76 C ATOM 2381 C ARG A 158 -10.308 -20.202 -3.874 1.00 1.74 C ATOM 2382 O ARG A 158 -9.991 -21.251 -3.321 1.00 1.95 O ATOM 2383 CB ARG A 158 -9.295 -20.468 -6.193 1.00 1.84 C ATOM 2384 CG ARG A 158 -9.658 -20.725 -7.665 1.00 2.26 C ATOM 2385 CD ARG A 158 -8.447 -20.695 -8.605 1.00 2.63 C ATOM 2386 NE ARG A 158 -7.781 -22.004 -8.726 1.00 2.89 N ATOM 2387 CZ ARG A 158 -6.936 -22.319 -9.720 1.00 3.85 C ATOM 2388 NH1 ARG A 158 -6.474 -23.566 -9.841 1.00 4.41 N ATOM 2389 NH2 ARG A 158 -6.553 -21.398 -10.601 1.00 4.78 N ATOM 0 H ARG A 158 -10.529 -18.318 -6.282 1.00 1.57 H new ATOM 0 HA ARG A 158 -11.264 -21.006 -5.583 1.00 1.76 H new ATOM 0 HB2 ARG A 158 -8.617 -19.618 -6.121 1.00 1.84 H new ATOM 0 HB3 ARG A 158 -8.769 -21.331 -5.784 1.00 1.84 H new ATOM 0 HG2 ARG A 158 -10.148 -21.695 -7.747 1.00 2.26 H new ATOM 0 HG3 ARG A 158 -10.379 -19.975 -7.990 1.00 2.26 H new ATOM 0 HD2 ARG A 158 -8.768 -20.364 -9.593 1.00 2.63 H new ATOM 0 HD3 ARG A 158 -7.729 -19.960 -8.241 1.00 2.63 H new ATOM 0 HE ARG A 158 -7.973 -22.710 -8.015 1.00 2.89 H new ATOM 0 HH11 ARG A 158 -6.763 -24.284 -9.176 1.00 4.41 H new ATOM 0 HH12 ARG A 158 -5.832 -23.801 -10.598 1.00 4.41 H new ATOM 0 HH21 ARG A 158 -6.902 -20.443 -10.524 1.00 4.78 H new ATOM 0 HH22 ARG A 158 -5.910 -21.647 -11.353 1.00 4.78 H new ATOM 2403 N ARG A 159 -10.454 -19.049 -3.217 1.00 1.48 N ATOM 2404 CA ARG A 159 -10.323 -18.928 -1.779 1.00 1.51 C ATOM 2405 C ARG A 159 -11.595 -18.411 -1.110 1.00 1.54 C ATOM 2406 O ARG A 159 -11.517 -17.848 -0.020 1.00 2.02 O ATOM 2407 CB ARG A 159 -9.131 -18.026 -1.481 1.00 2.12 C ATOM 2408 CG ARG A 159 -8.267 -18.692 -0.420 1.00 2.73 C ATOM 2409 CD ARG A 159 -7.181 -17.737 0.078 1.00 2.80 C ATOM 2410 NE ARG A 159 -6.321 -18.381 1.082 1.00 3.62 N ATOM 2411 CZ ARG A 159 -5.365 -17.757 1.784 1.00 3.94 C ATOM 2412 NH1 ARG A 159 -4.652 -18.422 2.692 1.00 4.97 N ATOM 2413 NH2 ARG A 159 -5.122 -16.465 1.576 1.00 4.11 N ATOM 0 H ARG A 159 -10.669 -18.167 -3.682 1.00 1.48 H new ATOM 0 HA ARG A 159 -10.158 -19.920 -1.359 1.00 1.51 H new ATOM 0 HB2 ARG A 159 -8.551 -17.855 -2.388 1.00 2.12 H new ATOM 0 HB3 ARG A 159 -9.473 -17.051 -1.133 1.00 2.12 H new ATOM 0 HG2 ARG A 159 -8.890 -19.008 0.416 1.00 2.73 H new ATOM 0 HG3 ARG A 159 -7.806 -19.590 -0.832 1.00 2.73 H new ATOM 0 HD2 ARG A 159 -6.574 -17.403 -0.763 1.00 2.80 H new ATOM 0 HD3 ARG A 159 -7.644 -16.849 0.509 1.00 2.80 H new ATOM 0 HE ARG A 159 -6.462 -19.376 1.257 1.00 3.62 H new ATOM 0 HH11 ARG A 159 -4.832 -19.412 2.856 1.00 4.97 H new ATOM 0 HH12 ARG A 159 -3.926 -17.941 3.223 1.00 4.97 H new ATOM 0 HH21 ARG A 159 -5.663 -15.949 0.882 1.00 4.11 H new ATOM 0 HH22 ARG A 159 -4.394 -15.990 2.110 1.00 4.11 H new ATOM 2427 N GLU A 160 -12.739 -18.608 -1.757 1.00 1.47 N ATOM 2428 CA GLU A 160 -14.041 -18.436 -1.118 1.00 1.61 C ATOM 2429 C GLU A 160 -14.109 -19.271 0.161 1.00 2.33 C ATOM 2430 O GLU A 160 -14.737 -18.776 1.123 1.00 2.98 O ATOM 2431 CB GLU A 160 -15.190 -18.798 -2.079 1.00 1.98 C ATOM 2432 CG GLU A 160 -15.581 -17.600 -2.955 1.00 2.84 C ATOM 2433 CD GLU A 160 -16.667 -17.931 -3.989 1.00 3.93 C ATOM 2434 OE1 GLU A 160 -17.722 -18.468 -3.580 1.00 4.11 O ATOM 2435 OE2 GLU A 160 -16.450 -17.599 -5.179 1.00 5.20 O ATOM 0 H GLU A 160 -12.791 -18.890 -2.736 1.00 1.47 H new ATOM 0 HA GLU A 160 -14.160 -17.385 -0.855 1.00 1.61 H new ATOM 0 HB2 GLU A 160 -14.888 -19.632 -2.713 1.00 1.98 H new ATOM 0 HB3 GLU A 160 -16.056 -19.130 -1.506 1.00 1.98 H new ATOM 0 HG2 GLU A 160 -15.933 -16.791 -2.315 1.00 2.84 H new ATOM 0 HG3 GLU A 160 -14.695 -17.234 -3.474 1.00 2.84 H new TER 2442 GLU A 160