USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 836 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 59 SER OG : rot -79:sc= 1.29 USER MOD Set 1.2: A 97 THR OG1 : rot 115:sc= 0.815 USER MOD Set 2.1: A 16 ASN : amide:sc= -0.078 K(o=2.4,f=1.6) USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 58 THR OG1 : rot 71:sc= 1.43 USER MOD Set 2.4: A 79 TYR OH : rot 180:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.122 (180deg=-0.52) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.152 (180deg=-0.152) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.22) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0713 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 15 GLN : amide:sc= 0.926 K(o=0.93,f=-8!) USER MOD Single : A 17 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 18 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.2) USER MOD Single : A 19 THR OG1 : rot -57:sc= -0.5 USER MOD Single : A 20 CYS SG : rot 180:sc= 0.0237 USER MOD Single : A 21 ASN : amide:sc= -0.142 K(o=-0.14,f=-0.88) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= -0.0113 (180deg=-0.132) USER MOD Single : A 24 THR OG1 : rot -107:sc= 0.0596 USER MOD Single : A 27 TYR OH : rot -119:sc= -0.544 USER MOD Single : A 28 THR OG1 : rot -1:sc= 0.132 USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -41:sc= 0.0715 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN :FLIP amide:sc=-0.000674 F(o=-0.73,f=-0.00067) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.86 K(o=0.86,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0.502 (180deg=0.491) USER MOD Single : A 47 TYR OH : rot 51:sc= 0.0187 USER MOD Single : A 49 LYS NZ :NH3+ 139:sc= 1.07 (180deg=0.164) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN :FLIP amide:sc= -1.42! C(o=-2.2!,f=-1.4!) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -150:sc= 0.43 USER MOD Single : A 64 THR OG1 : rot -75:sc=-0.00813 USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00643) USER MOD Single : A 66 LYS NZ :NH3+ 167:sc= -0.0338 (180deg=-0.248) USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= 0.137 (180deg=-0.112) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 88 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.2!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc=-0.00142 K(o=-0.0014,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.017 -7.341 -20.400 1.00 4.03 N ATOM 2 CA MET A 1 -19.178 -8.094 -19.862 1.00 23.14 C ATOM 3 C MET A 1 -19.097 -8.232 -18.333 1.00 63.52 C ATOM 4 O MET A 1 -20.096 -8.593 -17.694 1.00 54.22 O ATOM 5 CB MET A 1 -19.283 -9.486 -20.548 1.00 31.52 C ATOM 6 CG MET A 1 -18.119 -10.459 -20.273 1.00 2.21 C ATOM 7 SD MET A 1 -18.134 -11.163 -18.601 1.00 33.21 S ATOM 8 CE MET A 1 -19.659 -12.107 -18.589 1.00 60.13 C ATOM 0 H1 MET A 1 -18.101 -7.265 -21.434 1.00 4.03 H new ATOM 0 H2 MET A 1 -17.998 -6.388 -19.983 1.00 4.03 H new ATOM 0 H3 MET A 1 -17.137 -7.841 -20.160 1.00 4.03 H new ATOM 0 HA MET A 1 -20.083 -7.530 -20.088 1.00 23.14 H new ATOM 0 HB2 MET A 1 -20.211 -9.959 -20.227 1.00 31.52 H new ATOM 0 HB3 MET A 1 -19.358 -9.335 -21.625 1.00 31.52 H new ATOM 0 HG2 MET A 1 -18.157 -11.271 -20.999 1.00 2.21 H new ATOM 0 HG3 MET A 1 -17.176 -9.936 -20.429 1.00 2.21 H new ATOM 0 HE1 MET A 1 -19.620 -12.851 -17.794 1.00 60.13 H new ATOM 0 HE2 MET A 1 -20.501 -11.436 -18.417 1.00 60.13 H new ATOM 0 HE3 MET A 1 -19.784 -12.608 -19.549 1.00 60.13 H new ATOM 20 N HIS A 2 -17.905 -7.943 -17.758 1.00 13.45 N ATOM 21 CA HIS A 2 -17.653 -8.066 -16.310 1.00 13.12 C ATOM 22 C HIS A 2 -18.360 -6.925 -15.538 1.00 44.14 C ATOM 23 O HIS A 2 -17.768 -5.866 -15.284 1.00 33.02 O ATOM 24 CB HIS A 2 -16.123 -8.084 -16.011 1.00 64.15 C ATOM 25 CG HIS A 2 -15.785 -8.268 -14.550 1.00 25.41 C ATOM 26 ND1 HIS A 2 -15.207 -7.285 -13.774 1.00 4.03 N ATOM 27 CD2 HIS A 2 -15.959 -9.326 -13.729 1.00 43.21 C ATOM 28 CE1 HIS A 2 -15.041 -7.734 -12.550 1.00 2.41 C ATOM 29 NE2 HIS A 2 -15.490 -8.970 -12.497 1.00 51.12 N ATOM 0 H HIS A 2 -17.096 -7.619 -18.287 1.00 13.45 H new ATOM 0 HA HIS A 2 -18.068 -9.014 -15.968 1.00 13.12 H new ATOM 0 HB2 HIS A 2 -15.661 -8.887 -16.584 1.00 64.15 H new ATOM 0 HB3 HIS A 2 -15.684 -7.149 -16.360 1.00 64.15 H new ATOM 0 HD2 HIS A 2 -16.390 -10.279 -13.998 1.00 43.21 H new ATOM 0 HE1 HIS A 2 -14.610 -7.183 -11.728 1.00 2.41 H new ATOM 0 HE2 HIS A 2 -15.488 -9.566 -11.669 1.00 51.12 H new ATOM 38 N HIS A 3 -19.648 -7.148 -15.220 1.00 71.31 N ATOM 39 CA HIS A 3 -20.451 -6.230 -14.397 1.00 60.05 C ATOM 40 C HIS A 3 -21.646 -6.981 -13.786 1.00 60.41 C ATOM 41 O HIS A 3 -22.378 -7.688 -14.487 1.00 31.11 O ATOM 42 CB HIS A 3 -20.915 -4.981 -15.209 1.00 4.02 C ATOM 43 CG HIS A 3 -21.918 -5.250 -16.313 1.00 23.10 C ATOM 44 ND1 HIS A 3 -23.257 -4.936 -16.202 1.00 65.32 N ATOM 45 CD2 HIS A 3 -21.771 -5.794 -17.546 1.00 10.51 C ATOM 46 CE1 HIS A 3 -23.880 -5.275 -17.310 1.00 64.12 C ATOM 47 NE2 HIS A 3 -23.002 -5.795 -18.138 1.00 1.11 N ATOM 0 H HIS A 3 -20.162 -7.973 -15.529 1.00 71.31 H new ATOM 0 HA HIS A 3 -19.823 -5.860 -13.586 1.00 60.05 H new ATOM 0 HB2 HIS A 3 -21.350 -4.261 -14.516 1.00 4.02 H new ATOM 0 HB3 HIS A 3 -20.036 -4.509 -15.649 1.00 4.02 H new ATOM 0 HD2 HIS A 3 -20.852 -6.159 -17.980 1.00 10.51 H new ATOM 0 HE1 HIS A 3 -24.934 -5.148 -17.506 1.00 64.12 H new ATOM 0 HE2 HIS A 3 -23.207 -6.144 -19.074 1.00 1.11 H new ATOM 56 N HIS A 4 -21.791 -6.845 -12.465 1.00 11.10 N ATOM 57 CA HIS A 4 -22.907 -7.403 -11.681 1.00 60.44 C ATOM 58 C HIS A 4 -23.298 -6.395 -10.597 1.00 41.21 C ATOM 59 O HIS A 4 -22.589 -5.400 -10.380 1.00 2.12 O ATOM 60 CB HIS A 4 -22.537 -8.779 -11.038 1.00 1.03 C ATOM 61 CG HIS A 4 -22.456 -9.923 -12.014 1.00 21.52 C ATOM 62 ND1 HIS A 4 -23.572 -10.564 -12.504 1.00 2.20 N ATOM 63 CD2 HIS A 4 -21.398 -10.526 -12.603 1.00 52.11 C ATOM 64 CE1 HIS A 4 -23.205 -11.504 -13.347 1.00 53.34 C ATOM 65 NE2 HIS A 4 -21.890 -11.502 -13.427 1.00 71.21 N ATOM 0 H HIS A 4 -21.121 -6.332 -11.893 1.00 11.10 H new ATOM 0 HA HIS A 4 -23.749 -7.582 -12.350 1.00 60.44 H new ATOM 0 HB2 HIS A 4 -21.577 -8.682 -10.531 1.00 1.03 H new ATOM 0 HB3 HIS A 4 -23.278 -9.020 -10.276 1.00 1.03 H new ATOM 0 HD2 HIS A 4 -20.357 -10.282 -12.451 1.00 52.11 H new ATOM 0 HE1 HIS A 4 -23.869 -12.166 -13.883 1.00 53.34 H new ATOM 0 HE2 HIS A 4 -21.330 -12.126 -14.008 1.00 71.21 H new ATOM 74 N HIS A 5 -24.426 -6.658 -9.922 1.00 1.11 N ATOM 75 CA HIS A 5 -24.910 -5.815 -8.825 1.00 63.22 C ATOM 76 C HIS A 5 -24.048 -6.052 -7.573 1.00 15.33 C ATOM 77 O HIS A 5 -24.084 -7.137 -6.979 1.00 11.33 O ATOM 78 CB HIS A 5 -26.398 -6.115 -8.532 1.00 0.21 C ATOM 79 CG HIS A 5 -26.991 -5.284 -7.423 1.00 34.34 C ATOM 80 ND1 HIS A 5 -27.204 -5.775 -6.153 1.00 72.51 N ATOM 81 CD2 HIS A 5 -27.417 -3.999 -7.397 1.00 41.31 C ATOM 82 CE1 HIS A 5 -27.729 -4.837 -5.404 1.00 15.44 C ATOM 83 NE2 HIS A 5 -27.868 -3.751 -6.131 1.00 34.50 N ATOM 0 H HIS A 5 -25.025 -7.459 -10.122 1.00 1.11 H new ATOM 0 HA HIS A 5 -24.828 -4.767 -9.114 1.00 63.22 H new ATOM 0 HB2 HIS A 5 -26.976 -5.951 -9.442 1.00 0.21 H new ATOM 0 HB3 HIS A 5 -26.500 -7.169 -8.275 1.00 0.21 H new ATOM 0 HD2 HIS A 5 -27.403 -3.301 -8.221 1.00 41.31 H new ATOM 0 HE1 HIS A 5 -28.002 -4.939 -4.364 1.00 15.44 H new ATOM 0 HE2 HIS A 5 -28.251 -2.865 -5.803 1.00 34.50 H new ATOM 92 N HIS A 6 -23.273 -5.032 -7.205 1.00 62.15 N ATOM 93 CA HIS A 6 -22.367 -5.075 -6.052 1.00 73.11 C ATOM 94 C HIS A 6 -23.152 -4.852 -4.755 1.00 61.44 C ATOM 95 O HIS A 6 -24.173 -4.148 -4.737 1.00 63.35 O ATOM 96 CB HIS A 6 -21.256 -4.001 -6.203 1.00 23.50 C ATOM 97 CG HIS A 6 -20.417 -4.155 -7.446 1.00 44.34 C ATOM 98 ND1 HIS A 6 -19.241 -4.872 -7.470 1.00 51.22 N ATOM 99 CD2 HIS A 6 -20.588 -3.686 -8.705 1.00 0.10 C ATOM 100 CE1 HIS A 6 -18.735 -4.840 -8.683 1.00 30.02 C ATOM 101 NE2 HIS A 6 -19.529 -4.126 -9.453 1.00 22.23 N ATOM 0 H HIS A 6 -23.255 -4.142 -7.703 1.00 62.15 H new ATOM 0 HA HIS A 6 -21.897 -6.058 -6.010 1.00 73.11 H new ATOM 0 HB2 HIS A 6 -21.718 -3.014 -6.209 1.00 23.50 H new ATOM 0 HB3 HIS A 6 -20.604 -4.042 -5.330 1.00 23.50 H new ATOM 0 HD2 HIS A 6 -21.409 -3.077 -9.055 1.00 0.10 H new ATOM 0 HE1 HIS A 6 -17.820 -5.320 -8.996 1.00 30.02 H new ATOM 0 HE2 HIS A 6 -19.380 -3.933 -10.443 1.00 22.23 H new ATOM 110 N HIS A 7 -22.647 -5.455 -3.673 1.00 33.55 N ATOM 111 CA HIS A 7 -23.202 -5.317 -2.316 1.00 71.41 C ATOM 112 C HIS A 7 -22.584 -4.061 -1.646 1.00 44.31 C ATOM 113 O HIS A 7 -22.024 -4.128 -0.542 1.00 4.40 O ATOM 114 CB HIS A 7 -22.917 -6.633 -1.528 1.00 1.22 C ATOM 115 CG HIS A 7 -23.432 -6.656 -0.108 1.00 52.40 C ATOM 116 ND1 HIS A 7 -22.599 -6.694 0.989 1.00 65.55 N ATOM 117 CD2 HIS A 7 -24.686 -6.636 0.386 1.00 45.30 C ATOM 118 CE1 HIS A 7 -23.321 -6.689 2.084 1.00 64.43 C ATOM 119 NE2 HIS A 7 -24.590 -6.654 1.750 1.00 41.11 N ATOM 0 H HIS A 7 -21.829 -6.063 -3.713 1.00 33.55 H new ATOM 0 HA HIS A 7 -24.282 -5.173 -2.333 1.00 71.41 H new ATOM 0 HB2 HIS A 7 -23.361 -7.467 -2.072 1.00 1.22 H new ATOM 0 HB3 HIS A 7 -21.840 -6.801 -1.510 1.00 1.22 H new ATOM 0 HD2 HIS A 7 -25.599 -6.610 -0.190 1.00 45.30 H new ATOM 0 HE1 HIS A 7 -22.936 -6.710 3.093 1.00 64.43 H new ATOM 0 HE2 HIS A 7 -25.375 -6.642 2.401 1.00 41.11 H new ATOM 128 N ARG A 8 -22.702 -2.911 -2.361 1.00 1.10 N ATOM 129 CA ARG A 8 -22.126 -1.618 -1.959 1.00 24.42 C ATOM 130 C ARG A 8 -20.603 -1.767 -1.728 1.00 44.14 C ATOM 131 O ARG A 8 -20.150 -1.971 -0.593 1.00 33.23 O ATOM 132 CB ARG A 8 -22.879 -1.062 -0.712 1.00 73.30 C ATOM 133 CG ARG A 8 -22.479 0.367 -0.275 1.00 13.23 C ATOM 134 CD ARG A 8 -23.234 0.808 0.991 1.00 71.14 C ATOM 135 NE ARG A 8 -23.024 -0.140 2.098 1.00 1.42 N ATOM 136 CZ ARG A 8 -23.912 -0.417 3.067 1.00 35.31 C ATOM 137 NH1 ARG A 8 -25.107 0.181 3.102 1.00 32.50 N ATOM 138 NH2 ARG A 8 -23.596 -1.296 4.006 1.00 1.20 N ATOM 0 H ARG A 8 -23.209 -2.865 -3.245 1.00 1.10 H new ATOM 0 HA ARG A 8 -22.256 -0.887 -2.757 1.00 24.42 H new ATOM 0 HB2 ARG A 8 -23.949 -1.073 -0.920 1.00 73.30 H new ATOM 0 HB3 ARG A 8 -22.710 -1.740 0.125 1.00 73.30 H new ATOM 0 HG2 ARG A 8 -21.406 0.404 -0.090 1.00 13.23 H new ATOM 0 HG3 ARG A 8 -22.687 1.067 -1.085 1.00 13.23 H new ATOM 0 HD2 ARG A 8 -22.897 1.800 1.291 1.00 71.14 H new ATOM 0 HD3 ARG A 8 -24.299 0.885 0.773 1.00 71.14 H new ATOM 0 HE ARG A 8 -22.129 -0.627 2.132 1.00 1.42 H new ATOM 0 HH11 ARG A 8 -25.358 0.861 2.385 1.00 32.50 H new ATOM 0 HH12 ARG A 8 -25.768 -0.043 3.846 1.00 32.50 H new ATOM 0 HH21 ARG A 8 -22.685 -1.755 3.989 1.00 1.20 H new ATOM 0 HH22 ARG A 8 -24.263 -1.513 4.746 1.00 1.20 H new ATOM 152 N SER A 9 -19.838 -1.748 -2.839 1.00 0.34 N ATOM 153 CA SER A 9 -18.392 -2.034 -2.839 1.00 25.20 C ATOM 154 C SER A 9 -17.626 -1.110 -1.874 1.00 20.23 C ATOM 155 O SER A 9 -17.657 0.115 -2.025 1.00 53.04 O ATOM 156 CB SER A 9 -17.829 -1.890 -4.271 1.00 74.44 C ATOM 157 OG SER A 9 -18.498 -2.739 -5.183 1.00 32.40 O ATOM 0 H SER A 9 -20.209 -1.533 -3.764 1.00 0.34 H new ATOM 0 HA SER A 9 -18.254 -3.058 -2.493 1.00 25.20 H new ATOM 0 HB2 SER A 9 -17.927 -0.855 -4.598 1.00 74.44 H new ATOM 0 HB3 SER A 9 -16.765 -2.124 -4.269 1.00 74.44 H new ATOM 0 HG SER A 9 -18.118 -2.621 -6.079 1.00 32.40 H new ATOM 163 N GLY A 10 -17.012 -1.712 -0.839 1.00 21.21 N ATOM 164 CA GLY A 10 -16.110 -0.997 0.055 1.00 44.44 C ATOM 165 C GLY A 10 -14.786 -0.734 -0.641 1.00 51.42 C ATOM 166 O GLY A 10 -13.841 -1.519 -0.489 1.00 53.12 O ATOM 0 H GLY A 10 -17.131 -2.698 -0.608 1.00 21.21 H new ATOM 0 HA2 GLY A 10 -16.562 -0.054 0.362 1.00 44.44 H new ATOM 0 HA3 GLY A 10 -15.944 -1.581 0.960 1.00 44.44 H new ATOM 170 N ASP A 11 -14.753 0.360 -1.433 1.00 31.44 N ATOM 171 CA ASP A 11 -13.624 0.694 -2.317 1.00 62.45 C ATOM 172 C ASP A 11 -12.323 0.906 -1.532 1.00 2.11 C ATOM 173 O ASP A 11 -12.278 1.676 -0.563 1.00 14.14 O ATOM 174 CB ASP A 11 -13.940 1.948 -3.165 1.00 12.31 C ATOM 175 CG ASP A 11 -15.096 1.731 -4.155 1.00 5.21 C ATOM 176 OD1 ASP A 11 -14.889 1.046 -5.171 1.00 61.34 O ATOM 177 OD2 ASP A 11 -16.214 2.248 -3.930 1.00 34.43 O ATOM 0 H ASP A 11 -15.515 1.037 -1.474 1.00 31.44 H new ATOM 0 HA ASP A 11 -13.479 -0.158 -2.982 1.00 62.45 H new ATOM 0 HB2 ASP A 11 -14.189 2.775 -2.500 1.00 12.31 H new ATOM 0 HB3 ASP A 11 -13.047 2.240 -3.717 1.00 12.31 H new ATOM 182 N ILE A 12 -11.279 0.214 -1.990 1.00 23.24 N ATOM 183 CA ILE A 12 -9.965 0.187 -1.352 1.00 73.24 C ATOM 184 C ILE A 12 -9.248 1.533 -1.597 1.00 11.24 C ATOM 185 O ILE A 12 -8.804 1.812 -2.717 1.00 14.34 O ATOM 186 CB ILE A 12 -9.095 -0.995 -1.934 1.00 61.33 C ATOM 187 CG1 ILE A 12 -9.887 -2.344 -1.915 1.00 40.14 C ATOM 188 CG2 ILE A 12 -7.750 -1.127 -1.181 1.00 54.22 C ATOM 189 CD1 ILE A 12 -9.277 -3.455 -2.770 1.00 4.21 C ATOM 0 H ILE A 12 -11.326 -0.356 -2.835 1.00 23.24 H new ATOM 0 HA ILE A 12 -10.094 0.030 -0.281 1.00 73.24 H new ATOM 0 HB ILE A 12 -8.870 -0.757 -2.973 1.00 61.33 H new ATOM 0 HG12 ILE A 12 -9.957 -2.694 -0.885 1.00 40.14 H new ATOM 0 HG13 ILE A 12 -10.905 -2.157 -2.258 1.00 40.14 H new ATOM 0 HG21 ILE A 12 -7.175 -1.950 -1.606 1.00 54.22 H new ATOM 0 HG22 ILE A 12 -7.185 -0.200 -1.280 1.00 54.22 H new ATOM 0 HG23 ILE A 12 -7.941 -1.325 -0.126 1.00 54.22 H new ATOM 0 HD11 ILE A 12 -9.893 -4.351 -2.695 1.00 4.21 H new ATOM 0 HD12 ILE A 12 -9.232 -3.131 -3.810 1.00 4.21 H new ATOM 0 HD13 ILE A 12 -8.270 -3.676 -2.415 1.00 4.21 H new ATOM 201 N GLN A 13 -9.182 2.369 -0.556 1.00 14.03 N ATOM 202 CA GLN A 13 -8.496 3.663 -0.613 1.00 10.12 C ATOM 203 C GLN A 13 -6.979 3.449 -0.434 1.00 24.13 C ATOM 204 O GLN A 13 -6.537 2.775 0.508 1.00 3.43 O ATOM 205 CB GLN A 13 -9.036 4.626 0.475 1.00 11.33 C ATOM 206 CG GLN A 13 -8.372 6.026 0.474 1.00 60.04 C ATOM 207 CD GLN A 13 -8.773 6.909 1.659 1.00 1.33 C ATOM 208 OE1 GLN A 13 -9.069 6.419 2.752 1.00 41.13 O ATOM 209 NE2 GLN A 13 -8.761 8.220 1.464 1.00 42.44 N ATOM 0 H GLN A 13 -9.603 2.167 0.351 1.00 14.03 H new ATOM 0 HA GLN A 13 -8.686 4.117 -1.585 1.00 10.12 H new ATOM 0 HB2 GLN A 13 -10.110 4.746 0.336 1.00 11.33 H new ATOM 0 HB3 GLN A 13 -8.890 4.168 1.453 1.00 11.33 H new ATOM 0 HG2 GLN A 13 -7.289 5.903 0.477 1.00 60.04 H new ATOM 0 HG3 GLN A 13 -8.632 6.539 -0.452 1.00 60.04 H new ATOM 0 HE21 GLN A 13 -8.512 8.597 0.550 1.00 42.44 H new ATOM 0 HE22 GLN A 13 -9.000 8.852 2.228 1.00 42.44 H new ATOM 218 N VAL A 14 -6.206 4.019 -1.365 1.00 43.21 N ATOM 219 CA VAL A 14 -4.739 3.956 -1.397 1.00 71.43 C ATOM 220 C VAL A 14 -4.195 5.362 -1.094 1.00 63.23 C ATOM 221 O VAL A 14 -4.349 6.257 -1.921 1.00 31.43 O ATOM 222 CB VAL A 14 -4.223 3.493 -2.820 1.00 32.40 C ATOM 223 CG1 VAL A 14 -2.719 3.130 -2.777 1.00 2.33 C ATOM 224 CG2 VAL A 14 -5.086 2.339 -3.387 1.00 15.24 C ATOM 0 H VAL A 14 -6.595 4.554 -2.141 1.00 43.21 H new ATOM 0 HA VAL A 14 -4.392 3.234 -0.658 1.00 71.43 H new ATOM 0 HB VAL A 14 -4.331 4.333 -3.506 1.00 32.40 H new ATOM 0 HG11 VAL A 14 -2.392 2.816 -3.768 1.00 2.33 H new ATOM 0 HG12 VAL A 14 -2.143 4.001 -2.464 1.00 2.33 H new ATOM 0 HG13 VAL A 14 -2.561 2.317 -2.068 1.00 2.33 H new ATOM 0 HG21 VAL A 14 -4.704 2.046 -4.365 1.00 15.24 H new ATOM 0 HG22 VAL A 14 -5.043 1.486 -2.710 1.00 15.24 H new ATOM 0 HG23 VAL A 14 -6.119 2.672 -3.486 1.00 15.24 H new ATOM 234 N GLN A 15 -3.601 5.573 0.084 1.00 3.10 N ATOM 235 CA GLN A 15 -3.046 6.885 0.468 1.00 31.22 C ATOM 236 C GLN A 15 -1.563 6.747 0.827 1.00 34.43 C ATOM 237 O GLN A 15 -1.222 6.168 1.857 1.00 61.13 O ATOM 238 CB GLN A 15 -3.846 7.481 1.660 1.00 61.02 C ATOM 239 CG GLN A 15 -3.371 8.886 2.099 1.00 11.24 C ATOM 240 CD GLN A 15 -4.176 9.459 3.268 1.00 71.21 C ATOM 241 OE1 GLN A 15 -3.834 9.262 4.431 1.00 74.21 O ATOM 242 NE2 GLN A 15 -5.257 10.158 2.972 1.00 34.13 N ATOM 0 H GLN A 15 -3.489 4.851 0.796 1.00 3.10 H new ATOM 0 HA GLN A 15 -3.134 7.566 -0.379 1.00 31.22 H new ATOM 0 HB2 GLN A 15 -4.900 7.534 1.386 1.00 61.02 H new ATOM 0 HB3 GLN A 15 -3.772 6.802 2.509 1.00 61.02 H new ATOM 0 HG2 GLN A 15 -2.319 8.835 2.381 1.00 11.24 H new ATOM 0 HG3 GLN A 15 -3.440 9.567 1.251 1.00 11.24 H new ATOM 0 HE21 GLN A 15 -5.517 10.306 1.997 1.00 34.13 H new ATOM 0 HE22 GLN A 15 -5.831 10.550 3.718 1.00 34.13 H new ATOM 251 N ASN A 16 -0.694 7.268 -0.047 1.00 13.30 N ATOM 252 CA ASN A 16 0.750 7.368 0.210 1.00 60.00 C ATOM 253 C ASN A 16 1.079 8.828 0.531 1.00 43.12 C ATOM 254 O ASN A 16 0.922 9.714 -0.320 1.00 52.33 O ATOM 255 CB ASN A 16 1.575 6.870 -1.010 1.00 52.04 C ATOM 256 CG ASN A 16 3.081 7.188 -0.894 1.00 11.23 C ATOM 257 OD1 ASN A 16 3.563 8.213 -1.379 1.00 72.25 O ATOM 258 ND2 ASN A 16 3.836 6.326 -0.239 1.00 72.31 N ATOM 0 H ASN A 16 -0.973 7.634 -0.957 1.00 13.30 H new ATOM 0 HA ASN A 16 1.016 6.732 1.054 1.00 60.00 H new ATOM 0 HB2 ASN A 16 1.444 5.793 -1.114 1.00 52.04 H new ATOM 0 HB3 ASN A 16 1.182 7.328 -1.918 1.00 52.04 H new ATOM 0 HD21 ASN A 16 4.834 6.504 -0.128 1.00 72.31 H new ATOM 0 HD22 ASN A 16 3.421 5.482 0.156 1.00 72.31 H new ATOM 265 N ASN A 17 1.523 9.058 1.768 1.00 12.43 N ATOM 266 CA ASN A 17 1.915 10.374 2.253 1.00 61.20 C ATOM 267 C ASN A 17 3.442 10.457 2.251 1.00 10.35 C ATOM 268 O ASN A 17 4.117 9.773 3.028 1.00 61.34 O ATOM 269 CB ASN A 17 1.351 10.629 3.683 1.00 32.11 C ATOM 270 CG ASN A 17 1.708 12.013 4.264 1.00 3.22 C ATOM 271 OD1 ASN A 17 1.877 12.168 5.478 1.00 14.21 O ATOM 272 ND2 ASN A 17 1.794 13.033 3.421 1.00 55.40 N ATOM 0 H ASN A 17 1.620 8.322 2.468 1.00 12.43 H new ATOM 0 HA ASN A 17 1.503 11.143 1.599 1.00 61.20 H new ATOM 0 HB2 ASN A 17 0.266 10.527 3.658 1.00 32.11 H new ATOM 0 HB3 ASN A 17 1.728 9.857 4.354 1.00 32.11 H new ATOM 0 HD21 ASN A 17 2.003 13.968 3.771 1.00 55.40 H new ATOM 0 HD22 ASN A 17 1.651 12.883 2.422 1.00 55.40 H new ATOM 279 N ASN A 18 3.968 11.293 1.353 1.00 1.14 N ATOM 280 CA ASN A 18 5.407 11.503 1.194 1.00 62.10 C ATOM 281 C ASN A 18 5.790 12.805 1.911 1.00 13.03 C ATOM 282 O ASN A 18 5.139 13.846 1.731 1.00 21.50 O ATOM 283 CB ASN A 18 5.784 11.547 -0.317 1.00 11.43 C ATOM 284 CG ASN A 18 5.146 12.714 -1.091 1.00 3.03 C ATOM 285 OD1 ASN A 18 5.733 13.788 -1.223 1.00 2.42 O ATOM 286 ND2 ASN A 18 3.934 12.523 -1.589 1.00 54.51 N ATOM 0 H ASN A 18 3.402 11.847 0.711 1.00 1.14 H new ATOM 0 HA ASN A 18 5.962 10.677 1.638 1.00 62.10 H new ATOM 0 HB2 ASN A 18 6.868 11.615 -0.408 1.00 11.43 H new ATOM 0 HB3 ASN A 18 5.483 10.609 -0.783 1.00 11.43 H new ATOM 0 HD21 ASN A 18 3.466 13.275 -2.095 1.00 54.51 H new ATOM 0 HD22 ASN A 18 3.468 11.624 -1.466 1.00 54.51 H new ATOM 293 N THR A 19 6.800 12.731 2.791 1.00 50.00 N ATOM 294 CA THR A 19 7.294 13.897 3.528 1.00 54.10 C ATOM 295 C THR A 19 8.526 14.463 2.798 1.00 54.42 C ATOM 296 O THR A 19 9.556 13.784 2.645 1.00 63.31 O ATOM 297 CB THR A 19 7.622 13.548 5.009 1.00 31.44 C ATOM 298 OG1 THR A 19 8.577 12.495 5.050 1.00 21.43 O ATOM 299 CG2 THR A 19 6.368 13.123 5.797 1.00 14.02 C ATOM 0 H THR A 19 7.293 11.865 3.009 1.00 50.00 H new ATOM 0 HA THR A 19 6.511 14.655 3.558 1.00 54.10 H new ATOM 0 HB THR A 19 8.023 14.448 5.476 1.00 31.44 H new ATOM 0 HG1 THR A 19 8.231 11.721 4.559 1.00 21.43 H new ATOM 0 HG21 THR A 19 6.646 12.889 6.825 1.00 14.02 H new ATOM 0 HG22 THR A 19 5.643 13.937 5.793 1.00 14.02 H new ATOM 0 HG23 THR A 19 5.927 12.242 5.331 1.00 14.02 H new ATOM 307 N CYS A 20 8.384 15.705 2.331 1.00 75.20 N ATOM 308 CA CYS A 20 9.365 16.385 1.477 1.00 74.42 C ATOM 309 C CYS A 20 9.118 17.903 1.556 1.00 14.34 C ATOM 310 O CYS A 20 8.351 18.365 2.414 1.00 73.11 O ATOM 311 CB CYS A 20 9.201 15.858 0.019 1.00 73.54 C ATOM 312 SG CYS A 20 10.475 16.392 -1.156 1.00 71.32 S ATOM 0 H CYS A 20 7.567 16.280 2.539 1.00 75.20 H new ATOM 0 HA CYS A 20 10.384 16.184 1.807 1.00 74.42 H new ATOM 0 HB2 CYS A 20 9.190 14.768 0.045 1.00 73.54 H new ATOM 0 HB3 CYS A 20 8.229 16.178 -0.357 1.00 73.54 H new ATOM 0 HG CYS A 20 10.225 15.885 -2.327 1.00 71.32 H new ATOM 318 N ASN A 21 9.774 18.675 0.674 1.00 10.51 N ATOM 319 CA ASN A 21 9.454 20.099 0.477 1.00 51.34 C ATOM 320 C ASN A 21 8.090 20.217 -0.227 1.00 75.40 C ATOM 321 O ASN A 21 7.636 19.253 -0.870 1.00 20.41 O ATOM 322 CB ASN A 21 10.554 20.790 -0.384 1.00 71.11 C ATOM 323 CG ASN A 21 10.398 22.320 -0.474 1.00 73.45 C ATOM 324 OD1 ASN A 21 9.974 22.977 0.481 1.00 15.24 O ATOM 325 ND2 ASN A 21 10.730 22.897 -1.615 1.00 5.34 N ATOM 0 H ASN A 21 10.533 18.335 0.083 1.00 10.51 H new ATOM 0 HA ASN A 21 9.413 20.594 1.447 1.00 51.34 H new ATOM 0 HB2 ASN A 21 11.532 20.557 0.037 1.00 71.11 H new ATOM 0 HB3 ASN A 21 10.532 20.371 -1.390 1.00 71.11 H new ATOM 0 HD21 ASN A 21 10.638 23.907 -1.721 1.00 5.34 H new ATOM 0 HD22 ASN A 21 11.078 22.332 -2.390 1.00 5.34 H new ATOM 332 N GLY A 22 7.451 21.396 -0.116 1.00 10.10 N ATOM 333 CA GLY A 22 6.231 21.697 -0.870 1.00 51.32 C ATOM 334 C GLY A 22 6.497 21.837 -2.371 1.00 42.14 C ATOM 335 O GLY A 22 7.395 21.169 -2.905 1.00 33.23 O ATOM 0 H GLY A 22 7.764 22.154 0.491 1.00 10.10 H new ATOM 0 HA2 GLY A 22 5.500 20.906 -0.705 1.00 51.32 H new ATOM 0 HA3 GLY A 22 5.792 22.621 -0.493 1.00 51.32 H new ATOM 339 N LYS A 23 5.688 22.680 -3.064 1.00 74.15 N ATOM 340 CA LYS A 23 5.770 22.878 -4.540 1.00 20.20 C ATOM 341 C LYS A 23 5.388 21.590 -5.317 1.00 32.22 C ATOM 342 O LYS A 23 5.482 21.552 -6.546 1.00 73.45 O ATOM 343 CB LYS A 23 7.198 23.367 -4.960 1.00 61.02 C ATOM 344 CG LYS A 23 7.679 24.668 -4.266 1.00 62.13 C ATOM 345 CD LYS A 23 6.965 25.930 -4.781 1.00 34.00 C ATOM 346 CE LYS A 23 7.273 26.221 -6.264 1.00 40.43 C ATOM 347 NZ LYS A 23 8.727 26.445 -6.498 1.00 50.55 N ATOM 0 H LYS A 23 4.962 23.241 -2.619 1.00 74.15 H new ATOM 0 HA LYS A 23 5.046 23.650 -4.802 1.00 20.20 H new ATOM 0 HB2 LYS A 23 7.914 22.574 -4.746 1.00 61.02 H new ATOM 0 HB3 LYS A 23 7.209 23.524 -6.039 1.00 61.02 H new ATOM 0 HG2 LYS A 23 7.517 24.580 -3.192 1.00 62.13 H new ATOM 0 HG3 LYS A 23 8.753 24.778 -4.419 1.00 62.13 H new ATOM 0 HD2 LYS A 23 5.889 25.812 -4.653 1.00 34.00 H new ATOM 0 HD3 LYS A 23 7.266 26.786 -4.176 1.00 34.00 H new ATOM 0 HE2 LYS A 23 6.932 25.386 -6.876 1.00 40.43 H new ATOM 0 HE3 LYS A 23 6.714 27.100 -6.585 1.00 40.43 H new ATOM 0 HZ1 LYS A 23 8.872 26.802 -7.464 1.00 50.55 H new ATOM 0 HZ2 LYS A 23 9.085 27.142 -5.814 1.00 50.55 H new ATOM 0 HZ3 LYS A 23 9.240 25.548 -6.379 1.00 50.55 H new ATOM 361 N THR A 24 4.940 20.553 -4.585 1.00 73.50 N ATOM 362 CA THR A 24 4.725 19.188 -5.107 1.00 62.44 C ATOM 363 C THR A 24 3.345 18.674 -4.665 1.00 72.34 C ATOM 364 O THR A 24 2.620 19.375 -3.940 1.00 65.13 O ATOM 365 CB THR A 24 5.850 18.218 -4.597 1.00 22.15 C ATOM 366 OG1 THR A 24 5.948 18.281 -3.159 1.00 64.21 O ATOM 367 CG2 THR A 24 7.224 18.550 -5.210 1.00 20.12 C ATOM 0 H THR A 24 4.713 20.641 -3.595 1.00 73.50 H new ATOM 0 HA THR A 24 4.765 19.219 -6.196 1.00 62.44 H new ATOM 0 HB THR A 24 5.571 17.212 -4.911 1.00 22.15 H new ATOM 0 HG1 THR A 24 6.763 18.763 -2.907 1.00 64.21 H new ATOM 0 HG21 THR A 24 7.971 17.853 -4.828 1.00 20.12 H new ATOM 0 HG22 THR A 24 7.169 18.464 -6.295 1.00 20.12 H new ATOM 0 HG23 THR A 24 7.506 19.568 -4.941 1.00 20.12 H new ATOM 375 N PHE A 25 2.979 17.457 -5.102 1.00 73.10 N ATOM 376 CA PHE A 25 1.669 16.847 -4.780 1.00 51.12 C ATOM 377 C PHE A 25 1.847 15.546 -3.983 1.00 1.52 C ATOM 378 O PHE A 25 2.936 14.959 -3.953 1.00 43.24 O ATOM 379 CB PHE A 25 0.836 16.600 -6.073 1.00 12.11 C ATOM 380 CG PHE A 25 1.422 15.586 -7.064 1.00 71.44 C ATOM 381 CD1 PHE A 25 2.415 15.963 -7.971 1.00 14.14 C ATOM 382 CD2 PHE A 25 0.964 14.261 -7.100 1.00 62.12 C ATOM 383 CE1 PHE A 25 2.928 15.058 -8.875 1.00 70.05 C ATOM 384 CE2 PHE A 25 1.480 13.360 -8.010 1.00 74.21 C ATOM 385 CZ PHE A 25 2.459 13.757 -8.894 1.00 14.31 C ATOM 0 H PHE A 25 3.575 16.869 -5.684 1.00 73.10 H new ATOM 0 HA PHE A 25 1.118 17.549 -4.155 1.00 51.12 H new ATOM 0 HB2 PHE A 25 -0.158 16.262 -5.782 1.00 12.11 H new ATOM 0 HB3 PHE A 25 0.711 17.552 -6.589 1.00 12.11 H new ATOM 0 HD1 PHE A 25 2.786 16.977 -7.964 1.00 14.14 H new ATOM 0 HD2 PHE A 25 0.199 13.942 -6.408 1.00 62.12 H new ATOM 0 HE1 PHE A 25 3.697 15.365 -9.569 1.00 70.05 H new ATOM 0 HE2 PHE A 25 1.116 12.343 -8.029 1.00 74.21 H new ATOM 0 HZ PHE A 25 2.862 13.050 -9.604 1.00 14.31 H new ATOM 395 N ASP A 26 0.746 15.103 -3.364 1.00 23.23 N ATOM 396 CA ASP A 26 0.698 13.877 -2.542 1.00 64.32 C ATOM 397 C ASP A 26 -0.182 12.821 -3.235 1.00 14.54 C ATOM 398 O ASP A 26 -1.008 13.160 -4.092 1.00 64.43 O ATOM 399 CB ASP A 26 0.154 14.219 -1.131 1.00 75.50 C ATOM 400 CG ASP A 26 0.434 13.121 -0.092 1.00 43.20 C ATOM 401 OD1 ASP A 26 1.600 13.019 0.342 1.00 4.04 O ATOM 402 OD2 ASP A 26 -0.498 12.385 0.316 1.00 53.05 O ATOM 0 H ASP A 26 -0.150 15.588 -3.417 1.00 23.23 H new ATOM 0 HA ASP A 26 1.702 13.466 -2.433 1.00 64.32 H new ATOM 0 HB2 ASP A 26 0.602 15.153 -0.793 1.00 75.50 H new ATOM 0 HB3 ASP A 26 -0.921 14.385 -1.194 1.00 75.50 H new ATOM 407 N TYR A 27 -0.023 11.540 -2.846 1.00 0.14 N ATOM 408 CA TYR A 27 -0.627 10.404 -3.576 1.00 53.41 C ATOM 409 C TYR A 27 -1.875 9.869 -2.865 1.00 32.14 C ATOM 410 O TYR A 27 -1.796 9.395 -1.730 1.00 42.32 O ATOM 411 CB TYR A 27 0.411 9.269 -3.750 1.00 43.13 C ATOM 412 CG TYR A 27 1.684 9.722 -4.472 1.00 55.35 C ATOM 413 CD1 TYR A 27 1.775 9.699 -5.866 1.00 60.34 C ATOM 414 CD2 TYR A 27 2.782 10.212 -3.755 1.00 35.23 C ATOM 415 CE1 TYR A 27 2.916 10.142 -6.508 1.00 63.23 C ATOM 416 CE2 TYR A 27 3.912 10.660 -4.391 1.00 21.43 C ATOM 417 CZ TYR A 27 3.976 10.626 -5.764 1.00 3.03 C ATOM 418 OH TYR A 27 5.104 11.086 -6.398 1.00 22.13 O ATOM 0 H TYR A 27 0.520 11.264 -2.028 1.00 0.14 H new ATOM 0 HA TYR A 27 -0.934 10.769 -4.556 1.00 53.41 H new ATOM 0 HB2 TYR A 27 0.678 8.876 -2.769 1.00 43.13 H new ATOM 0 HB3 TYR A 27 -0.044 8.451 -4.308 1.00 43.13 H new ATOM 0 HD1 TYR A 27 0.944 9.331 -6.449 1.00 60.34 H new ATOM 0 HD2 TYR A 27 2.738 10.238 -2.676 1.00 35.23 H new ATOM 0 HE1 TYR A 27 2.979 10.110 -7.586 1.00 63.23 H new ATOM 0 HE2 TYR A 27 4.746 11.037 -3.817 1.00 21.43 H new ATOM 0 HH TYR A 27 5.876 10.549 -6.122 1.00 22.13 H new ATOM 428 N THR A 28 -3.027 9.971 -3.538 1.00 13.35 N ATOM 429 CA THR A 28 -4.266 9.285 -3.141 1.00 42.34 C ATOM 430 C THR A 28 -4.969 8.761 -4.405 1.00 54.44 C ATOM 431 O THR A 28 -5.255 9.524 -5.337 1.00 64.20 O ATOM 432 CB THR A 28 -5.226 10.192 -2.293 1.00 63.44 C ATOM 433 OG1 THR A 28 -4.586 10.550 -1.050 1.00 64.02 O ATOM 434 CG2 THR A 28 -6.575 9.497 -1.983 1.00 24.31 C ATOM 0 H THR A 28 -3.128 10.536 -4.381 1.00 13.35 H new ATOM 0 HA THR A 28 -3.999 8.453 -2.489 1.00 42.34 H new ATOM 0 HB THR A 28 -5.436 11.081 -2.888 1.00 63.44 H new ATOM 0 HG1 THR A 28 -3.700 10.133 -1.006 1.00 64.02 H new ATOM 0 HG21 THR A 28 -7.202 10.166 -1.394 1.00 24.31 H new ATOM 0 HG22 THR A 28 -7.081 9.253 -2.917 1.00 24.31 H new ATOM 0 HG23 THR A 28 -6.392 8.582 -1.419 1.00 24.31 H new ATOM 442 N TYR A 29 -5.179 7.441 -4.437 1.00 41.40 N ATOM 443 CA TYR A 29 -5.890 6.724 -5.504 1.00 40.34 C ATOM 444 C TYR A 29 -6.989 5.872 -4.859 1.00 41.22 C ATOM 445 O TYR A 29 -6.944 5.618 -3.653 1.00 52.50 O ATOM 446 CB TYR A 29 -4.893 5.827 -6.291 1.00 72.20 C ATOM 447 CG TYR A 29 -3.706 6.601 -6.889 1.00 13.41 C ATOM 448 CD1 TYR A 29 -3.866 7.387 -8.031 1.00 51.24 C ATOM 449 CD2 TYR A 29 -2.444 6.576 -6.288 1.00 45.42 C ATOM 450 CE1 TYR A 29 -2.807 8.105 -8.557 1.00 14.43 C ATOM 451 CE2 TYR A 29 -1.385 7.288 -6.813 1.00 12.34 C ATOM 452 CZ TYR A 29 -1.570 8.057 -7.939 1.00 42.32 C ATOM 453 OH TYR A 29 -0.511 8.774 -8.455 1.00 73.51 O ATOM 0 H TYR A 29 -4.849 6.821 -3.698 1.00 41.40 H new ATOM 0 HA TYR A 29 -6.337 7.429 -6.205 1.00 40.34 H new ATOM 0 HB2 TYR A 29 -4.512 5.052 -5.626 1.00 72.20 H new ATOM 0 HB3 TYR A 29 -5.429 5.322 -7.095 1.00 72.20 H new ATOM 0 HD1 TYR A 29 -4.832 7.435 -8.512 1.00 51.24 H new ATOM 0 HD2 TYR A 29 -2.295 5.988 -5.395 1.00 45.42 H new ATOM 0 HE1 TYR A 29 -2.945 8.701 -9.447 1.00 14.43 H new ATOM 0 HE2 TYR A 29 -0.414 7.242 -6.342 1.00 12.34 H new ATOM 0 HH TYR A 29 -0.848 9.578 -8.902 1.00 73.51 H new ATOM 463 N THR A 30 -7.999 5.466 -5.640 1.00 4.23 N ATOM 464 CA THR A 30 -9.060 4.563 -5.159 1.00 44.32 C ATOM 465 C THR A 30 -9.240 3.424 -6.163 1.00 74.40 C ATOM 466 O THR A 30 -9.417 3.673 -7.356 1.00 12.51 O ATOM 467 CB THR A 30 -10.405 5.333 -4.943 1.00 63.03 C ATOM 468 OG1 THR A 30 -10.168 6.474 -4.096 1.00 51.41 O ATOM 469 CG2 THR A 30 -11.502 4.452 -4.308 1.00 3.10 C ATOM 0 H THR A 30 -8.106 5.749 -6.614 1.00 4.23 H new ATOM 0 HA THR A 30 -8.766 4.152 -4.193 1.00 44.32 H new ATOM 0 HB THR A 30 -10.762 5.642 -5.925 1.00 63.03 H new ATOM 0 HG1 THR A 30 -11.008 6.960 -3.959 1.00 51.41 H new ATOM 0 HG21 THR A 30 -12.412 5.039 -4.182 1.00 3.10 H new ATOM 0 HG22 THR A 30 -11.706 3.601 -4.957 1.00 3.10 H new ATOM 0 HG23 THR A 30 -11.164 4.094 -3.336 1.00 3.10 H new ATOM 477 N VAL A 31 -9.156 2.182 -5.671 1.00 71.40 N ATOM 478 CA VAL A 31 -9.413 0.964 -6.462 1.00 73.51 C ATOM 479 C VAL A 31 -10.567 0.178 -5.812 1.00 54.11 C ATOM 480 O VAL A 31 -11.041 0.543 -4.739 1.00 52.13 O ATOM 481 CB VAL A 31 -8.117 0.076 -6.588 1.00 41.55 C ATOM 482 CG1 VAL A 31 -6.984 0.847 -7.299 1.00 23.51 C ATOM 483 CG2 VAL A 31 -7.647 -0.443 -5.218 1.00 70.41 C ATOM 0 H VAL A 31 -8.905 1.988 -4.702 1.00 71.40 H new ATOM 0 HA VAL A 31 -9.698 1.250 -7.475 1.00 73.51 H new ATOM 0 HB VAL A 31 -8.376 -0.790 -7.197 1.00 41.55 H new ATOM 0 HG11 VAL A 31 -6.102 0.211 -7.373 1.00 23.51 H new ATOM 0 HG12 VAL A 31 -7.310 1.132 -8.299 1.00 23.51 H new ATOM 0 HG13 VAL A 31 -6.739 1.743 -6.728 1.00 23.51 H new ATOM 0 HG21 VAL A 31 -6.751 -1.051 -5.347 1.00 70.41 H new ATOM 0 HG22 VAL A 31 -7.422 0.402 -4.567 1.00 70.41 H new ATOM 0 HG23 VAL A 31 -8.434 -1.048 -4.768 1.00 70.41 H new ATOM 493 N THR A 32 -11.023 -0.881 -6.480 1.00 22.41 N ATOM 494 CA THR A 32 -12.128 -1.741 -5.999 1.00 25.54 C ATOM 495 C THR A 32 -11.737 -3.232 -6.096 1.00 12.21 C ATOM 496 O THR A 32 -12.493 -4.120 -5.675 1.00 75.33 O ATOM 497 CB THR A 32 -13.445 -1.441 -6.806 1.00 42.41 C ATOM 498 OG1 THR A 32 -14.587 -1.980 -6.120 1.00 61.42 O ATOM 499 CG2 THR A 32 -13.398 -1.977 -8.253 1.00 41.12 C ATOM 0 H THR A 32 -10.640 -1.177 -7.378 1.00 22.41 H new ATOM 0 HA THR A 32 -12.317 -1.515 -4.950 1.00 25.54 H new ATOM 0 HB THR A 32 -13.532 -0.356 -6.869 1.00 42.41 H new ATOM 0 HG1 THR A 32 -14.364 -2.862 -5.757 1.00 61.42 H new ATOM 0 HG21 THR A 32 -14.334 -1.740 -8.759 1.00 41.12 H new ATOM 0 HG22 THR A 32 -12.569 -1.512 -8.786 1.00 41.12 H new ATOM 0 HG23 THR A 32 -13.258 -3.058 -8.236 1.00 41.12 H new ATOM 507 N THR A 33 -10.535 -3.494 -6.650 1.00 45.31 N ATOM 508 CA THR A 33 -10.005 -4.855 -6.848 1.00 25.02 C ATOM 509 C THR A 33 -8.489 -4.871 -6.547 1.00 34.51 C ATOM 510 O THR A 33 -7.788 -3.872 -6.772 1.00 13.42 O ATOM 511 CB THR A 33 -10.285 -5.355 -8.314 1.00 1.41 C ATOM 512 OG1 THR A 33 -11.689 -5.227 -8.609 1.00 34.04 O ATOM 513 CG2 THR A 33 -9.860 -6.821 -8.538 1.00 32.25 C ATOM 0 H THR A 33 -9.903 -2.762 -6.974 1.00 45.31 H new ATOM 0 HA THR A 33 -10.511 -5.534 -6.161 1.00 25.02 H new ATOM 0 HB THR A 33 -9.688 -4.732 -8.980 1.00 1.41 H new ATOM 0 HG1 THR A 33 -11.861 -5.537 -9.523 1.00 34.04 H new ATOM 0 HG21 THR A 33 -10.077 -7.110 -9.566 1.00 32.25 H new ATOM 0 HG22 THR A 33 -8.791 -6.923 -8.351 1.00 32.25 H new ATOM 0 HG23 THR A 33 -10.411 -7.468 -7.855 1.00 32.25 H new ATOM 521 N GLU A 34 -8.005 -6.027 -6.058 1.00 44.32 N ATOM 522 CA GLU A 34 -6.598 -6.245 -5.673 1.00 23.22 C ATOM 523 C GLU A 34 -5.656 -6.119 -6.889 1.00 70.45 C ATOM 524 O GLU A 34 -4.519 -5.654 -6.760 1.00 63.43 O ATOM 525 CB GLU A 34 -6.408 -7.657 -5.040 1.00 32.14 C ATOM 526 CG GLU A 34 -7.321 -7.991 -3.830 1.00 42.41 C ATOM 527 CD GLU A 34 -8.658 -8.653 -4.209 1.00 11.23 C ATOM 528 OE1 GLU A 34 -9.641 -7.928 -4.506 1.00 65.35 O ATOM 529 OE2 GLU A 34 -8.728 -9.910 -4.194 1.00 42.25 O ATOM 0 H GLU A 34 -8.590 -6.850 -5.917 1.00 44.32 H new ATOM 0 HA GLU A 34 -6.346 -5.476 -4.942 1.00 23.22 H new ATOM 0 HB2 GLU A 34 -6.577 -8.406 -5.814 1.00 32.14 H new ATOM 0 HB3 GLU A 34 -5.370 -7.754 -4.723 1.00 32.14 H new ATOM 0 HG2 GLU A 34 -6.780 -8.653 -3.154 1.00 42.41 H new ATOM 0 HG3 GLU A 34 -7.527 -7.072 -3.280 1.00 42.41 H new ATOM 536 N SER A 35 -6.152 -6.575 -8.055 1.00 2.15 N ATOM 537 CA SER A 35 -5.424 -6.531 -9.335 1.00 33.54 C ATOM 538 C SER A 35 -5.089 -5.077 -9.737 1.00 44.40 C ATOM 539 O SER A 35 -3.981 -4.796 -10.204 1.00 75.30 O ATOM 540 CB SER A 35 -6.271 -7.208 -10.443 1.00 65.23 C ATOM 541 OG SER A 35 -6.768 -8.470 -10.013 1.00 43.33 O ATOM 0 H SER A 35 -7.081 -6.989 -8.134 1.00 2.15 H new ATOM 0 HA SER A 35 -4.485 -7.072 -9.214 1.00 33.54 H new ATOM 0 HB2 SER A 35 -7.104 -6.560 -10.715 1.00 65.23 H new ATOM 0 HB3 SER A 35 -5.664 -7.339 -11.339 1.00 65.23 H new ATOM 0 HG SER A 35 -7.300 -8.874 -10.730 1.00 43.33 H new ATOM 547 N GLU A 36 -6.060 -4.170 -9.509 1.00 60.13 N ATOM 548 CA GLU A 36 -5.931 -2.736 -9.819 1.00 43.21 C ATOM 549 C GLU A 36 -4.954 -2.071 -8.840 1.00 22.45 C ATOM 550 O GLU A 36 -4.124 -1.259 -9.246 1.00 10.40 O ATOM 551 CB GLU A 36 -7.313 -2.048 -9.722 1.00 24.22 C ATOM 552 CG GLU A 36 -8.426 -2.716 -10.561 1.00 32.44 C ATOM 553 CD GLU A 36 -9.811 -2.092 -10.335 1.00 14.12 C ATOM 554 OE1 GLU A 36 -10.142 -1.797 -9.183 1.00 45.52 O ATOM 555 OE2 GLU A 36 -10.577 -1.917 -11.294 1.00 11.12 O ATOM 0 H GLU A 36 -6.962 -4.416 -9.101 1.00 60.13 H new ATOM 0 HA GLU A 36 -5.547 -2.630 -10.834 1.00 43.21 H new ATOM 0 HB2 GLU A 36 -7.624 -2.033 -8.677 1.00 24.22 H new ATOM 0 HB3 GLU A 36 -7.210 -1.010 -10.039 1.00 24.22 H new ATOM 0 HG2 GLU A 36 -8.169 -2.642 -11.618 1.00 32.44 H new ATOM 0 HG3 GLU A 36 -8.469 -3.777 -10.317 1.00 32.44 H new ATOM 562 N LEU A 37 -5.076 -2.456 -7.547 1.00 33.50 N ATOM 563 CA LEU A 37 -4.183 -1.999 -6.462 1.00 51.13 C ATOM 564 C LEU A 37 -2.722 -2.342 -6.772 1.00 22.20 C ATOM 565 O LEU A 37 -1.833 -1.525 -6.566 1.00 34.03 O ATOM 566 CB LEU A 37 -4.591 -2.658 -5.120 1.00 41.51 C ATOM 567 CG LEU A 37 -3.671 -2.336 -3.895 1.00 72.31 C ATOM 568 CD1 LEU A 37 -3.656 -0.838 -3.560 1.00 61.54 C ATOM 569 CD2 LEU A 37 -4.055 -3.169 -2.671 1.00 4.34 C ATOM 0 H LEU A 37 -5.803 -3.097 -7.228 1.00 33.50 H new ATOM 0 HA LEU A 37 -4.280 -0.916 -6.382 1.00 51.13 H new ATOM 0 HB2 LEU A 37 -5.607 -2.347 -4.879 1.00 41.51 H new ATOM 0 HB3 LEU A 37 -4.613 -3.739 -5.260 1.00 41.51 H new ATOM 0 HG LEU A 37 -2.657 -2.612 -4.184 1.00 72.31 H new ATOM 0 HD11 LEU A 37 -3.005 -0.663 -2.704 1.00 61.54 H new ATOM 0 HD12 LEU A 37 -3.286 -0.277 -4.418 1.00 61.54 H new ATOM 0 HD13 LEU A 37 -4.667 -0.509 -3.320 1.00 61.54 H new ATOM 0 HD21 LEU A 37 -3.396 -2.919 -1.840 1.00 4.34 H new ATOM 0 HD22 LEU A 37 -5.087 -2.953 -2.393 1.00 4.34 H new ATOM 0 HD23 LEU A 37 -3.957 -4.229 -2.907 1.00 4.34 H new ATOM 581 N GLN A 38 -2.518 -3.567 -7.278 1.00 71.52 N ATOM 582 CA GLN A 38 -1.199 -4.076 -7.678 1.00 74.54 C ATOM 583 C GLN A 38 -0.589 -3.177 -8.774 1.00 21.53 C ATOM 584 O GLN A 38 0.567 -2.764 -8.672 1.00 0.14 O ATOM 585 CB GLN A 38 -1.363 -5.537 -8.173 1.00 74.04 C ATOM 586 CG GLN A 38 -0.068 -6.240 -8.624 1.00 74.41 C ATOM 587 CD GLN A 38 -0.294 -7.641 -9.218 1.00 22.31 C ATOM 588 OE1 GLN A 38 -1.421 -7.853 -9.898 1.00 31.34 O flip ATOM 589 NE2 GLN A 38 0.561 -8.521 -9.093 1.00 0.25 N flip ATOM 0 H GLN A 38 -3.272 -4.239 -7.422 1.00 71.52 H new ATOM 0 HA GLN A 38 -0.516 -4.062 -6.828 1.00 74.54 H new ATOM 0 HB2 GLN A 38 -1.813 -6.124 -7.372 1.00 74.04 H new ATOM 0 HB3 GLN A 38 -2.066 -5.542 -9.006 1.00 74.04 H new ATOM 0 HG2 GLN A 38 0.432 -5.618 -9.366 1.00 74.41 H new ATOM 0 HG3 GLN A 38 0.605 -6.322 -7.771 1.00 74.41 H new ATOM 0 HE21 GLN A 38 1.414 -8.332 -8.567 1.00 0.25 H new ATOM 0 HE22 GLN A 38 0.415 -9.438 -9.515 1.00 0.25 H new ATOM 598 N LYS A 39 -1.422 -2.831 -9.775 1.00 33.44 N ATOM 599 CA LYS A 39 -1.024 -1.959 -10.896 1.00 11.21 C ATOM 600 C LYS A 39 -0.665 -0.543 -10.399 1.00 63.23 C ATOM 601 O LYS A 39 0.240 0.091 -10.944 1.00 74.14 O ATOM 602 CB LYS A 39 -2.156 -1.897 -11.954 1.00 13.22 C ATOM 603 CG LYS A 39 -2.488 -3.260 -12.610 1.00 72.53 C ATOM 604 CD LYS A 39 -3.715 -3.185 -13.559 1.00 72.32 C ATOM 605 CE LYS A 39 -3.508 -2.216 -14.736 1.00 14.31 C ATOM 606 NZ LYS A 39 -4.672 -2.216 -15.665 1.00 43.44 N ATOM 0 H LYS A 39 -2.390 -3.149 -9.829 1.00 33.44 H new ATOM 0 HA LYS A 39 -0.134 -2.384 -11.360 1.00 11.21 H new ATOM 0 HB2 LYS A 39 -3.057 -1.504 -11.483 1.00 13.22 H new ATOM 0 HB3 LYS A 39 -1.871 -1.191 -12.734 1.00 13.22 H new ATOM 0 HG2 LYS A 39 -1.621 -3.610 -13.171 1.00 72.53 H new ATOM 0 HG3 LYS A 39 -2.681 -3.996 -11.830 1.00 72.53 H new ATOM 0 HD2 LYS A 39 -3.927 -4.181 -13.949 1.00 72.32 H new ATOM 0 HD3 LYS A 39 -4.590 -2.873 -12.988 1.00 72.32 H new ATOM 0 HE2 LYS A 39 -3.349 -1.208 -14.353 1.00 14.31 H new ATOM 0 HE3 LYS A 39 -2.607 -2.495 -15.282 1.00 14.31 H new ATOM 0 HZ1 LYS A 39 -4.494 -1.551 -16.444 1.00 43.44 H new ATOM 0 HZ2 LYS A 39 -4.809 -3.172 -16.050 1.00 43.44 H new ATOM 0 HZ3 LYS A 39 -5.527 -1.925 -15.150 1.00 43.44 H new ATOM 620 N VAL A 40 -1.374 -0.071 -9.353 1.00 10.43 N ATOM 621 CA VAL A 40 -1.118 1.238 -8.724 1.00 74.24 C ATOM 622 C VAL A 40 0.205 1.209 -7.950 1.00 25.11 C ATOM 623 O VAL A 40 1.016 2.109 -8.098 1.00 31.01 O ATOM 624 CB VAL A 40 -2.293 1.664 -7.753 1.00 35.24 C ATOM 625 CG1 VAL A 40 -1.957 2.945 -6.948 1.00 52.34 C ATOM 626 CG2 VAL A 40 -3.607 1.857 -8.533 1.00 25.14 C ATOM 0 H VAL A 40 -2.140 -0.588 -8.922 1.00 10.43 H new ATOM 0 HA VAL A 40 -1.057 1.975 -9.524 1.00 74.24 H new ATOM 0 HB VAL A 40 -2.419 0.851 -7.038 1.00 35.24 H new ATOM 0 HG11 VAL A 40 -2.794 3.196 -6.297 1.00 52.34 H new ATOM 0 HG12 VAL A 40 -1.067 2.772 -6.344 1.00 52.34 H new ATOM 0 HG13 VAL A 40 -1.773 3.770 -7.637 1.00 52.34 H new ATOM 0 HG21 VAL A 40 -4.399 2.149 -7.844 1.00 25.14 H new ATOM 0 HG22 VAL A 40 -3.473 2.636 -9.284 1.00 25.14 H new ATOM 0 HG23 VAL A 40 -3.879 0.923 -9.024 1.00 25.14 H new ATOM 636 N LEU A 41 0.417 0.146 -7.155 1.00 34.34 N ATOM 637 CA LEU A 41 1.532 0.077 -6.198 1.00 15.44 C ATOM 638 C LEU A 41 2.887 -0.043 -6.905 1.00 41.21 C ATOM 639 O LEU A 41 3.812 0.671 -6.548 1.00 2.31 O ATOM 640 CB LEU A 41 1.334 -1.078 -5.174 1.00 54.12 C ATOM 641 CG LEU A 41 0.201 -0.873 -4.118 1.00 62.31 C ATOM 642 CD1 LEU A 41 0.135 -2.062 -3.144 1.00 63.42 C ATOM 643 CD2 LEU A 41 0.365 0.463 -3.360 1.00 14.42 C ATOM 0 H LEU A 41 -0.176 -0.684 -7.158 1.00 34.34 H new ATOM 0 HA LEU A 41 1.534 1.017 -5.647 1.00 15.44 H new ATOM 0 HB2 LEU A 41 1.127 -1.995 -5.726 1.00 54.12 H new ATOM 0 HB3 LEU A 41 2.274 -1.231 -4.644 1.00 54.12 H new ATOM 0 HG LEU A 41 -0.746 -0.826 -4.656 1.00 62.31 H new ATOM 0 HD11 LEU A 41 -0.662 -1.895 -2.419 1.00 63.42 H new ATOM 0 HD12 LEU A 41 -0.067 -2.977 -3.700 1.00 63.42 H new ATOM 0 HD13 LEU A 41 1.087 -2.158 -2.621 1.00 63.42 H new ATOM 0 HD21 LEU A 41 -0.441 0.571 -2.634 1.00 14.42 H new ATOM 0 HD22 LEU A 41 1.324 0.472 -2.842 1.00 14.42 H new ATOM 0 HD23 LEU A 41 0.328 1.290 -4.069 1.00 14.42 H new ATOM 655 N ASN A 42 2.980 -0.928 -7.915 1.00 11.52 N ATOM 656 CA ASN A 42 4.230 -1.126 -8.695 1.00 22.12 C ATOM 657 C ASN A 42 4.620 0.153 -9.483 1.00 31.31 C ATOM 658 O ASN A 42 5.804 0.427 -9.678 1.00 12.21 O ATOM 659 CB ASN A 42 4.106 -2.347 -9.660 1.00 50.05 C ATOM 660 CG ASN A 42 4.164 -3.710 -8.945 1.00 32.43 C ATOM 661 OD1 ASN A 42 5.240 -4.263 -8.722 1.00 51.22 O ATOM 662 ND2 ASN A 42 3.023 -4.278 -8.603 1.00 50.54 N ATOM 0 H ASN A 42 2.207 -1.521 -8.215 1.00 11.52 H new ATOM 0 HA ASN A 42 5.026 -1.334 -7.980 1.00 22.12 H new ATOM 0 HB2 ASN A 42 3.166 -2.273 -10.206 1.00 50.05 H new ATOM 0 HB3 ASN A 42 4.907 -2.299 -10.397 1.00 50.05 H new ATOM 0 HD21 ASN A 42 3.024 -5.190 -8.146 1.00 50.54 H new ATOM 0 HD22 ASN A 42 2.140 -3.805 -8.796 1.00 50.54 H new ATOM 669 N GLU A 43 3.606 0.943 -9.880 1.00 60.20 N ATOM 670 CA GLU A 43 3.784 2.157 -10.697 1.00 25.45 C ATOM 671 C GLU A 43 4.195 3.332 -9.789 1.00 25.02 C ATOM 672 O GLU A 43 5.246 3.949 -9.988 1.00 35.11 O ATOM 673 CB GLU A 43 2.446 2.459 -11.448 1.00 71.43 C ATOM 674 CG GLU A 43 2.555 3.306 -12.741 1.00 55.43 C ATOM 675 CD GLU A 43 2.919 4.784 -12.529 1.00 0.15 C ATOM 676 OE1 GLU A 43 2.278 5.455 -11.694 1.00 0.10 O ATOM 677 OE2 GLU A 43 3.816 5.290 -13.232 1.00 63.33 O ATOM 0 H GLU A 43 2.632 0.755 -9.641 1.00 60.20 H new ATOM 0 HA GLU A 43 4.573 2.010 -11.435 1.00 25.45 H new ATOM 0 HB2 GLU A 43 1.975 1.509 -11.701 1.00 71.43 H new ATOM 0 HB3 GLU A 43 1.776 2.973 -10.759 1.00 71.43 H new ATOM 0 HG2 GLU A 43 3.305 2.854 -13.390 1.00 55.43 H new ATOM 0 HG3 GLU A 43 1.603 3.255 -13.270 1.00 55.43 H new ATOM 684 N LEU A 44 3.351 3.591 -8.771 1.00 5.11 N ATOM 685 CA LEU A 44 3.489 4.727 -7.841 1.00 22.43 C ATOM 686 C LEU A 44 4.732 4.565 -6.950 1.00 33.23 C ATOM 687 O LEU A 44 5.235 5.544 -6.427 1.00 1.32 O ATOM 688 CB LEU A 44 2.141 4.950 -7.012 1.00 41.42 C ATOM 689 CG LEU A 44 2.187 4.848 -5.440 1.00 4.53 C ATOM 690 CD1 LEU A 44 0.998 5.564 -4.769 1.00 53.13 C ATOM 691 CD2 LEU A 44 2.230 3.385 -4.966 1.00 63.22 C ATOM 0 H LEU A 44 2.540 3.006 -8.569 1.00 5.11 H new ATOM 0 HA LEU A 44 3.648 5.637 -8.419 1.00 22.43 H new ATOM 0 HB2 LEU A 44 1.757 5.938 -7.267 1.00 41.42 H new ATOM 0 HB3 LEU A 44 1.411 4.223 -7.368 1.00 41.42 H new ATOM 0 HG LEU A 44 3.106 5.350 -5.138 1.00 4.53 H new ATOM 0 HD11 LEU A 44 1.077 5.464 -3.686 1.00 53.13 H new ATOM 0 HD12 LEU A 44 1.011 6.620 -5.038 1.00 53.13 H new ATOM 0 HD13 LEU A 44 0.064 5.115 -5.108 1.00 53.13 H new ATOM 0 HD21 LEU A 44 2.261 3.356 -3.877 1.00 63.22 H new ATOM 0 HD22 LEU A 44 1.340 2.862 -5.318 1.00 63.22 H new ATOM 0 HD23 LEU A 44 3.119 2.899 -5.367 1.00 63.22 H new ATOM 703 N LYS A 45 5.194 3.309 -6.807 1.00 10.21 N ATOM 704 CA LYS A 45 6.426 2.922 -6.085 1.00 52.31 C ATOM 705 C LYS A 45 7.636 3.809 -6.441 1.00 61.11 C ATOM 706 O LYS A 45 8.327 4.327 -5.552 1.00 53.42 O ATOM 707 CB LYS A 45 6.740 1.453 -6.451 1.00 3.22 C ATOM 708 CG LYS A 45 8.021 0.867 -5.838 1.00 14.02 C ATOM 709 CD LYS A 45 8.296 -0.567 -6.336 1.00 10.14 C ATOM 710 CE LYS A 45 8.554 -0.644 -7.852 1.00 31.14 C ATOM 711 NZ LYS A 45 8.880 -2.034 -8.295 1.00 42.54 N ATOM 0 H LYS A 45 4.705 2.506 -7.203 1.00 10.21 H new ATOM 0 HA LYS A 45 6.253 3.049 -5.016 1.00 52.31 H new ATOM 0 HB2 LYS A 45 5.897 0.834 -6.143 1.00 3.22 H new ATOM 0 HB3 LYS A 45 6.812 1.377 -7.536 1.00 3.22 H new ATOM 0 HG2 LYS A 45 8.868 1.506 -6.088 1.00 14.02 H new ATOM 0 HG3 LYS A 45 7.934 0.863 -4.751 1.00 14.02 H new ATOM 0 HD2 LYS A 45 9.160 -0.969 -5.806 1.00 10.14 H new ATOM 0 HD3 LYS A 45 7.445 -1.201 -6.086 1.00 10.14 H new ATOM 0 HE2 LYS A 45 7.673 -0.290 -8.388 1.00 31.14 H new ATOM 0 HE3 LYS A 45 9.376 0.022 -8.114 1.00 31.14 H new ATOM 0 HZ1 LYS A 45 8.963 -2.058 -9.331 1.00 42.54 H new ATOM 0 HZ2 LYS A 45 9.781 -2.332 -7.869 1.00 42.54 H new ATOM 0 HZ3 LYS A 45 8.123 -2.681 -7.994 1.00 42.54 H new ATOM 725 N ASP A 46 7.861 3.970 -7.751 1.00 24.24 N ATOM 726 CA ASP A 46 8.981 4.756 -8.287 1.00 42.04 C ATOM 727 C ASP A 46 8.817 6.251 -7.930 1.00 63.32 C ATOM 728 O ASP A 46 9.795 6.978 -7.730 1.00 54.23 O ATOM 729 CB ASP A 46 9.054 4.558 -9.822 1.00 44.32 C ATOM 730 CG ASP A 46 10.284 5.239 -10.449 1.00 22.14 C ATOM 731 OD1 ASP A 46 11.384 4.647 -10.415 1.00 22.52 O ATOM 732 OD2 ASP A 46 10.159 6.365 -10.978 1.00 64.34 O ATOM 0 H ASP A 46 7.269 3.557 -8.472 1.00 24.24 H new ATOM 0 HA ASP A 46 9.913 4.411 -7.839 1.00 42.04 H new ATOM 0 HB2 ASP A 46 9.080 3.492 -10.046 1.00 44.32 H new ATOM 0 HB3 ASP A 46 8.149 4.958 -10.280 1.00 44.32 H new ATOM 737 N TYR A 47 7.549 6.678 -7.842 1.00 40.12 N ATOM 738 CA TYR A 47 7.154 8.059 -7.516 1.00 3.10 C ATOM 739 C TYR A 47 7.242 8.317 -5.993 1.00 41.54 C ATOM 740 O TYR A 47 7.483 9.458 -5.572 1.00 24.25 O ATOM 741 CB TYR A 47 5.711 8.318 -8.041 1.00 1.43 C ATOM 742 CG TYR A 47 5.561 8.276 -9.574 1.00 11.32 C ATOM 743 CD1 TYR A 47 5.951 7.153 -10.308 1.00 55.42 C ATOM 744 CD2 TYR A 47 5.027 9.352 -10.288 1.00 2.32 C ATOM 745 CE1 TYR A 47 5.838 7.111 -11.674 1.00 54.23 C ATOM 746 CE2 TYR A 47 4.909 9.312 -11.667 1.00 4.50 C ATOM 747 CZ TYR A 47 5.307 8.185 -12.356 1.00 22.43 C ATOM 748 OH TYR A 47 5.184 8.128 -13.731 1.00 22.41 O ATOM 0 H TYR A 47 6.752 6.061 -7.998 1.00 40.12 H new ATOM 0 HA TYR A 47 7.842 8.750 -8.003 1.00 3.10 H new ATOM 0 HB2 TYR A 47 5.043 7.576 -7.605 1.00 1.43 H new ATOM 0 HB3 TYR A 47 5.380 9.294 -7.685 1.00 1.43 H new ATOM 0 HD1 TYR A 47 6.352 6.296 -9.786 1.00 55.42 H new ATOM 0 HD2 TYR A 47 4.700 10.232 -9.754 1.00 2.32 H new ATOM 0 HE1 TYR A 47 6.165 6.236 -12.216 1.00 54.23 H new ATOM 0 HE2 TYR A 47 4.507 10.160 -12.201 1.00 4.50 H new ATOM 0 HH TYR A 47 4.723 7.301 -13.984 1.00 22.41 H new ATOM 758 N ILE A 48 7.045 7.243 -5.183 1.00 72.03 N ATOM 759 CA ILE A 48 7.188 7.286 -3.709 1.00 24.22 C ATOM 760 C ILE A 48 8.647 7.613 -3.364 1.00 45.22 C ATOM 761 O ILE A 48 8.921 8.481 -2.550 1.00 74.40 O ATOM 762 CB ILE A 48 6.806 5.903 -3.027 1.00 64.33 C ATOM 763 CG1 ILE A 48 5.308 5.533 -3.251 1.00 74.25 C ATOM 764 CG2 ILE A 48 7.153 5.885 -1.520 1.00 12.14 C ATOM 765 CD1 ILE A 48 4.883 4.189 -2.656 1.00 73.54 C ATOM 0 H ILE A 48 6.782 6.323 -5.538 1.00 72.03 H new ATOM 0 HA ILE A 48 6.507 8.048 -3.331 1.00 24.22 H new ATOM 0 HB ILE A 48 7.413 5.142 -3.518 1.00 64.33 H new ATOM 0 HG12 ILE A 48 4.686 6.318 -2.820 1.00 74.25 H new ATOM 0 HG13 ILE A 48 5.108 5.520 -4.322 1.00 74.25 H new ATOM 0 HG21 ILE A 48 6.875 4.921 -1.094 1.00 12.14 H new ATOM 0 HG22 ILE A 48 8.224 6.043 -1.391 1.00 12.14 H new ATOM 0 HG23 ILE A 48 6.605 6.678 -1.011 1.00 12.14 H new ATOM 0 HD11 ILE A 48 3.826 4.018 -2.862 1.00 73.54 H new ATOM 0 HD12 ILE A 48 5.474 3.390 -3.103 1.00 73.54 H new ATOM 0 HD13 ILE A 48 5.046 4.201 -1.578 1.00 73.54 H new ATOM 777 N LYS A 49 9.552 6.878 -4.031 1.00 53.34 N ATOM 778 CA LYS A 49 11.012 7.051 -3.932 1.00 34.43 C ATOM 779 C LYS A 49 11.428 8.505 -4.233 1.00 40.11 C ATOM 780 O LYS A 49 12.163 9.127 -3.458 1.00 42.33 O ATOM 781 CB LYS A 49 11.677 6.091 -4.947 1.00 14.31 C ATOM 782 CG LYS A 49 13.215 6.215 -5.079 1.00 14.52 C ATOM 783 CD LYS A 49 13.768 5.398 -6.269 1.00 11.14 C ATOM 784 CE LYS A 49 13.180 5.862 -7.616 1.00 74.55 C ATOM 785 NZ LYS A 49 13.673 5.040 -8.748 1.00 35.24 N ATOM 0 H LYS A 49 9.283 6.129 -4.669 1.00 53.34 H new ATOM 0 HA LYS A 49 11.334 6.824 -2.916 1.00 34.43 H new ATOM 0 HB2 LYS A 49 11.436 5.067 -4.662 1.00 14.31 H new ATOM 0 HB3 LYS A 49 11.232 6.262 -5.927 1.00 14.31 H new ATOM 0 HG2 LYS A 49 13.483 7.264 -5.205 1.00 14.52 H new ATOM 0 HG3 LYS A 49 13.686 5.874 -4.157 1.00 14.52 H new ATOM 0 HD2 LYS A 49 14.854 5.490 -6.297 1.00 11.14 H new ATOM 0 HD3 LYS A 49 13.541 4.342 -6.120 1.00 11.14 H new ATOM 0 HE2 LYS A 49 12.092 5.808 -7.575 1.00 74.55 H new ATOM 0 HE3 LYS A 49 13.441 6.907 -7.785 1.00 74.55 H new ATOM 0 HZ1 LYS A 49 12.890 4.849 -9.406 1.00 35.24 H new ATOM 0 HZ2 LYS A 49 14.427 5.553 -9.247 1.00 35.24 H new ATOM 0 HZ3 LYS A 49 14.048 4.140 -8.386 1.00 35.24 H new ATOM 799 N LYS A 50 10.905 9.018 -5.362 1.00 64.21 N ATOM 800 CA LYS A 50 11.231 10.345 -5.903 1.00 0.44 C ATOM 801 C LYS A 50 10.820 11.479 -4.937 1.00 23.21 C ATOM 802 O LYS A 50 11.522 12.488 -4.816 1.00 71.30 O ATOM 803 CB LYS A 50 10.514 10.508 -7.270 1.00 5.40 C ATOM 804 CG LYS A 50 10.829 11.819 -8.031 1.00 10.20 C ATOM 805 CD LYS A 50 10.066 11.922 -9.375 1.00 2.23 C ATOM 806 CE LYS A 50 8.539 11.906 -9.185 1.00 73.11 C ATOM 807 NZ LYS A 50 7.813 11.904 -10.486 1.00 40.54 N ATOM 0 H LYS A 50 10.230 8.509 -5.933 1.00 64.21 H new ATOM 0 HA LYS A 50 12.311 10.418 -6.031 1.00 0.44 H new ATOM 0 HB2 LYS A 50 10.784 9.665 -7.906 1.00 5.40 H new ATOM 0 HB3 LYS A 50 9.438 10.452 -7.106 1.00 5.40 H new ATOM 0 HG2 LYS A 50 10.569 12.671 -7.403 1.00 10.20 H new ATOM 0 HG3 LYS A 50 11.901 11.877 -8.220 1.00 10.20 H new ATOM 0 HD2 LYS A 50 10.356 12.840 -9.885 1.00 2.23 H new ATOM 0 HD3 LYS A 50 10.358 11.093 -10.020 1.00 2.23 H new ATOM 0 HE2 LYS A 50 8.255 11.025 -8.610 1.00 73.11 H new ATOM 0 HE3 LYS A 50 8.237 12.777 -8.603 1.00 73.11 H new ATOM 0 HZ1 LYS A 50 6.788 11.893 -10.311 1.00 40.54 H new ATOM 0 HZ2 LYS A 50 8.063 12.758 -11.025 1.00 40.54 H new ATOM 0 HZ3 LYS A 50 8.080 11.060 -11.031 1.00 40.54 H new ATOM 821 N GLN A 51 9.690 11.293 -4.243 1.00 10.53 N ATOM 822 CA GLN A 51 9.101 12.320 -3.360 1.00 53.35 C ATOM 823 C GLN A 51 9.289 11.997 -1.860 1.00 63.25 C ATOM 824 O GLN A 51 8.975 12.831 -1.001 1.00 2.13 O ATOM 825 CB GLN A 51 7.600 12.479 -3.707 1.00 42.40 C ATOM 826 CG GLN A 51 7.327 12.983 -5.139 1.00 71.13 C ATOM 827 CD GLN A 51 7.907 14.369 -5.449 1.00 73.14 C ATOM 828 OE1 GLN A 51 7.911 15.270 -4.470 1.00 23.43 O flip ATOM 829 NE2 GLN A 51 8.305 14.648 -6.583 1.00 14.23 N flip ATOM 0 H GLN A 51 9.154 10.426 -4.275 1.00 10.53 H new ATOM 0 HA GLN A 51 9.627 13.259 -3.534 1.00 53.35 H new ATOM 0 HB2 GLN A 51 7.105 11.517 -3.573 1.00 42.40 H new ATOM 0 HB3 GLN A 51 7.147 13.172 -2.998 1.00 42.40 H new ATOM 0 HG2 GLN A 51 7.739 12.264 -5.848 1.00 71.13 H new ATOM 0 HG3 GLN A 51 6.250 13.010 -5.302 1.00 71.13 H new ATOM 0 HE21 GLN A 51 8.292 13.940 -7.317 1.00 14.23 H new ATOM 0 HE22 GLN A 51 8.647 15.587 -6.787 1.00 14.23 H new ATOM 838 N GLY A 52 9.799 10.797 -1.557 1.00 61.43 N ATOM 839 CA GLY A 52 10.021 10.361 -0.173 1.00 2.32 C ATOM 840 C GLY A 52 11.414 10.726 0.301 1.00 35.52 C ATOM 841 O GLY A 52 12.261 9.845 0.490 1.00 75.33 O ATOM 0 H GLY A 52 10.067 10.106 -2.258 1.00 61.43 H new ATOM 0 HA2 GLY A 52 9.280 10.822 0.480 1.00 2.32 H new ATOM 0 HA3 GLY A 52 9.881 9.282 -0.102 1.00 2.32 H new ATOM 845 N CYS A 53 11.653 12.040 0.474 1.00 63.14 N ATOM 846 CA CYS A 53 12.980 12.580 0.826 1.00 14.40 C ATOM 847 C CYS A 53 13.350 12.272 2.286 1.00 11.40 C ATOM 848 O CYS A 53 14.514 11.988 2.596 1.00 53.44 O ATOM 849 CB CYS A 53 13.032 14.099 0.559 1.00 4.31 C ATOM 850 SG CYS A 53 14.670 14.830 0.794 1.00 44.33 S ATOM 0 H CYS A 53 10.933 12.756 0.374 1.00 63.14 H new ATOM 0 HA CYS A 53 13.717 12.087 0.192 1.00 14.40 H new ATOM 0 HB2 CYS A 53 12.703 14.290 -0.463 1.00 4.31 H new ATOM 0 HB3 CYS A 53 12.324 14.598 1.220 1.00 4.31 H new ATOM 0 HG CYS A 53 14.616 16.105 0.546 1.00 44.33 H new ATOM 856 N LYS A 54 12.349 12.344 3.177 1.00 33.11 N ATOM 857 CA LYS A 54 12.515 12.039 4.612 1.00 43.50 C ATOM 858 C LYS A 54 11.955 10.635 4.913 1.00 2.35 C ATOM 859 O LYS A 54 12.702 9.724 5.298 1.00 21.24 O ATOM 860 CB LYS A 54 11.819 13.136 5.474 1.00 15.11 C ATOM 861 CG LYS A 54 12.487 14.528 5.357 1.00 24.51 C ATOM 862 CD LYS A 54 11.756 15.642 6.152 1.00 3.30 C ATOM 863 CE LYS A 54 10.408 16.033 5.526 1.00 0.42 C ATOM 864 NZ LYS A 54 9.753 17.154 6.254 1.00 50.31 N ATOM 0 H LYS A 54 11.399 12.616 2.925 1.00 33.11 H new ATOM 0 HA LYS A 54 13.574 12.040 4.869 1.00 43.50 H new ATOM 0 HB2 LYS A 54 10.775 13.216 5.172 1.00 15.11 H new ATOM 0 HB3 LYS A 54 11.826 12.825 6.519 1.00 15.11 H new ATOM 0 HG2 LYS A 54 13.516 14.458 5.710 1.00 24.51 H new ATOM 0 HG3 LYS A 54 12.530 14.813 4.306 1.00 24.51 H new ATOM 0 HD2 LYS A 54 11.592 15.304 7.175 1.00 3.30 H new ATOM 0 HD3 LYS A 54 12.396 16.523 6.206 1.00 3.30 H new ATOM 0 HE2 LYS A 54 10.562 16.319 4.485 1.00 0.42 H new ATOM 0 HE3 LYS A 54 9.746 15.167 5.524 1.00 0.42 H new ATOM 0 HZ1 LYS A 54 8.848 17.383 5.796 1.00 50.31 H new ATOM 0 HZ2 LYS A 54 9.581 16.874 7.241 1.00 50.31 H new ATOM 0 HZ3 LYS A 54 10.372 17.989 6.234 1.00 50.31 H new ATOM 878 N ARG A 55 10.639 10.466 4.716 1.00 1.31 N ATOM 879 CA ARG A 55 9.940 9.183 4.933 1.00 11.33 C ATOM 880 C ARG A 55 8.690 9.111 4.047 1.00 25.43 C ATOM 881 O ARG A 55 8.271 10.119 3.457 1.00 2.23 O ATOM 882 CB ARG A 55 9.570 8.994 6.436 1.00 71.44 C ATOM 883 CG ARG A 55 8.469 9.942 6.961 1.00 31.23 C ATOM 884 CD ARG A 55 8.230 9.807 8.472 1.00 34.34 C ATOM 885 NE ARG A 55 9.406 10.190 9.260 1.00 5.03 N ATOM 886 CZ ARG A 55 9.429 10.325 10.595 1.00 14.15 C ATOM 887 NH1 ARG A 55 8.326 10.127 11.330 1.00 3.42 N ATOM 888 NH2 ARG A 55 10.560 10.689 11.192 1.00 31.34 N ATOM 0 H ARG A 55 10.024 11.216 4.400 1.00 1.31 H new ATOM 0 HA ARG A 55 10.612 8.371 4.655 1.00 11.33 H new ATOM 0 HB2 ARG A 55 9.245 7.965 6.588 1.00 71.44 H new ATOM 0 HB3 ARG A 55 10.468 9.137 7.037 1.00 71.44 H new ATOM 0 HG2 ARG A 55 8.745 10.972 6.733 1.00 31.23 H new ATOM 0 HG3 ARG A 55 7.538 9.737 6.432 1.00 31.23 H new ATOM 0 HD2 ARG A 55 7.384 10.431 8.760 1.00 34.34 H new ATOM 0 HD3 ARG A 55 7.960 8.777 8.704 1.00 34.34 H new ATOM 0 HE ARG A 55 10.274 10.368 8.754 1.00 5.03 H new ATOM 0 HH11 ARG A 55 7.450 9.869 10.876 1.00 3.42 H new ATOM 0 HH12 ARG A 55 8.363 10.234 12.344 1.00 3.42 H new ATOM 0 HH21 ARG A 55 11.397 10.862 10.636 1.00 31.34 H new ATOM 0 HH22 ARG A 55 10.590 10.795 12.206 1.00 31.34 H new ATOM 902 N SER A 56 8.116 7.915 3.944 1.00 31.32 N ATOM 903 CA SER A 56 6.833 7.698 3.271 1.00 0.13 C ATOM 904 C SER A 56 5.955 6.799 4.146 1.00 22.34 C ATOM 905 O SER A 56 6.455 5.852 4.759 1.00 4.31 O ATOM 906 CB SER A 56 7.058 7.068 1.880 1.00 2.42 C ATOM 907 OG SER A 56 7.713 5.810 1.969 1.00 41.22 O ATOM 0 H SER A 56 8.528 7.064 4.326 1.00 31.32 H new ATOM 0 HA SER A 56 6.328 8.653 3.125 1.00 0.13 H new ATOM 0 HB2 SER A 56 6.098 6.943 1.378 1.00 2.42 H new ATOM 0 HB3 SER A 56 7.653 7.745 1.267 1.00 2.42 H new ATOM 0 HG SER A 56 7.837 5.441 1.070 1.00 41.22 H new ATOM 913 N ARG A 57 4.658 7.109 4.203 1.00 41.31 N ATOM 914 CA ARG A 57 3.670 6.343 4.957 1.00 51.20 C ATOM 915 C ARG A 57 2.557 5.962 3.988 1.00 4.52 C ATOM 916 O ARG A 57 1.800 6.829 3.563 1.00 33.04 O ATOM 917 CB ARG A 57 3.162 7.218 6.152 1.00 51.21 C ATOM 918 CG ARG A 57 2.122 6.566 7.115 1.00 14.13 C ATOM 919 CD ARG A 57 0.664 6.661 6.622 1.00 63.22 C ATOM 920 NE ARG A 57 0.230 8.055 6.429 1.00 62.02 N ATOM 921 CZ ARG A 57 -0.885 8.441 5.785 1.00 43.41 C ATOM 922 NH1 ARG A 57 -1.713 7.549 5.251 1.00 41.12 N ATOM 923 NH2 ARG A 57 -1.194 9.729 5.724 1.00 21.13 N ATOM 0 H ARG A 57 4.261 7.913 3.718 1.00 41.31 H new ATOM 0 HA ARG A 57 4.084 5.429 5.383 1.00 51.20 H new ATOM 0 HB2 ARG A 57 4.027 7.521 6.742 1.00 51.21 H new ATOM 0 HB3 ARG A 57 2.721 8.127 5.743 1.00 51.21 H new ATOM 0 HG2 ARG A 57 2.380 5.516 7.254 1.00 14.13 H new ATOM 0 HG3 ARG A 57 2.196 7.045 8.091 1.00 14.13 H new ATOM 0 HD2 ARG A 57 0.564 6.118 5.682 1.00 63.22 H new ATOM 0 HD3 ARG A 57 0.007 6.174 7.342 1.00 63.22 H new ATOM 0 HE ARG A 57 0.824 8.788 6.816 1.00 62.02 H new ATOM 0 HH11 ARG A 57 -1.507 6.553 5.326 1.00 41.12 H new ATOM 0 HH12 ARG A 57 -2.554 7.861 4.766 1.00 41.12 H new ATOM 0 HH21 ARG A 57 -0.587 10.420 6.164 1.00 21.13 H new ATOM 0 HH22 ARG A 57 -2.039 10.028 5.237 1.00 21.13 H new ATOM 937 N THR A 58 2.458 4.681 3.625 1.00 70.11 N ATOM 938 CA THR A 58 1.382 4.204 2.743 1.00 63.14 C ATOM 939 C THR A 58 0.324 3.474 3.582 1.00 34.42 C ATOM 940 O THR A 58 0.657 2.720 4.506 1.00 25.42 O ATOM 941 CB THR A 58 1.917 3.279 1.608 1.00 52.24 C ATOM 942 OG1 THR A 58 3.113 3.840 1.048 1.00 53.32 O ATOM 943 CG2 THR A 58 0.879 3.078 0.477 1.00 70.12 C ATOM 0 H THR A 58 3.107 3.954 3.926 1.00 70.11 H new ATOM 0 HA THR A 58 0.934 5.070 2.257 1.00 63.14 H new ATOM 0 HB THR A 58 2.122 2.306 2.055 1.00 52.24 H new ATOM 0 HG1 THR A 58 3.844 3.764 1.696 1.00 53.32 H new ATOM 0 HG21 THR A 58 1.298 2.427 -0.290 1.00 70.12 H new ATOM 0 HG22 THR A 58 -0.022 2.622 0.887 1.00 70.12 H new ATOM 0 HG23 THR A 58 0.629 4.043 0.036 1.00 70.12 H new ATOM 951 N SER A 59 -0.947 3.709 3.242 1.00 10.51 N ATOM 952 CA SER A 59 -2.107 3.179 3.955 1.00 55.35 C ATOM 953 C SER A 59 -3.102 2.622 2.933 1.00 35.23 C ATOM 954 O SER A 59 -3.527 3.337 2.025 1.00 24.21 O ATOM 955 CB SER A 59 -2.753 4.285 4.812 1.00 52.13 C ATOM 956 OG SER A 59 -1.836 4.777 5.774 1.00 74.33 O ATOM 0 H SER A 59 -1.201 4.289 2.442 1.00 10.51 H new ATOM 0 HA SER A 59 -1.799 2.377 4.626 1.00 55.35 H new ATOM 0 HB2 SER A 59 -3.086 5.101 4.170 1.00 52.13 H new ATOM 0 HB3 SER A 59 -3.638 3.893 5.314 1.00 52.13 H new ATOM 0 HG SER A 59 -1.790 4.155 6.530 1.00 74.33 H new ATOM 962 N ILE A 60 -3.436 1.335 3.068 1.00 42.55 N ATOM 963 CA ILE A 60 -4.347 0.614 2.158 1.00 61.05 C ATOM 964 C ILE A 60 -5.536 0.079 2.971 1.00 2.13 C ATOM 965 O ILE A 60 -5.332 -0.426 4.077 1.00 2.20 O ATOM 966 CB ILE A 60 -3.591 -0.576 1.447 1.00 72.20 C ATOM 967 CG1 ILE A 60 -2.350 -0.048 0.653 1.00 15.50 C ATOM 968 CG2 ILE A 60 -4.541 -1.383 0.536 1.00 21.13 C ATOM 969 CD1 ILE A 60 -1.483 -1.130 0.029 1.00 61.12 C ATOM 0 H ILE A 60 -3.078 0.751 3.823 1.00 42.55 H new ATOM 0 HA ILE A 60 -4.705 1.295 1.386 1.00 61.05 H new ATOM 0 HB ILE A 60 -3.231 -1.255 2.220 1.00 72.20 H new ATOM 0 HG12 ILE A 60 -2.698 0.618 -0.136 1.00 15.50 H new ATOM 0 HG13 ILE A 60 -1.734 0.549 1.325 1.00 15.50 H new ATOM 0 HG21 ILE A 60 -3.989 -2.194 0.062 1.00 21.13 H new ATOM 0 HG22 ILE A 60 -5.353 -1.797 1.133 1.00 21.13 H new ATOM 0 HG23 ILE A 60 -4.953 -0.728 -0.231 1.00 21.13 H new ATOM 0 HD11 ILE A 60 -0.649 -0.668 -0.500 1.00 61.12 H new ATOM 0 HD12 ILE A 60 -1.099 -1.785 0.811 1.00 61.12 H new ATOM 0 HD13 ILE A 60 -2.079 -1.714 -0.673 1.00 61.12 H new ATOM 981 N THR A 61 -6.765 0.205 2.435 1.00 21.02 N ATOM 982 CA THR A 61 -7.983 -0.259 3.117 1.00 5.41 C ATOM 983 C THR A 61 -8.007 -1.796 3.230 1.00 3.42 C ATOM 984 O THR A 61 -7.985 -2.496 2.220 1.00 73.33 O ATOM 985 CB THR A 61 -9.258 0.235 2.374 1.00 62.31 C ATOM 986 OG1 THR A 61 -9.216 1.664 2.273 1.00 41.32 O ATOM 987 CG2 THR A 61 -10.559 -0.205 3.082 1.00 53.12 C ATOM 0 H THR A 61 -6.938 0.629 1.523 1.00 21.02 H new ATOM 0 HA THR A 61 -7.975 0.163 4.122 1.00 5.41 H new ATOM 0 HB THR A 61 -9.266 -0.218 1.382 1.00 62.31 H new ATOM 0 HG1 THR A 61 -10.130 2.019 2.267 1.00 41.32 H new ATOM 0 HG21 THR A 61 -11.420 0.165 2.524 1.00 53.12 H new ATOM 0 HG22 THR A 61 -10.597 -1.293 3.129 1.00 53.12 H new ATOM 0 HG23 THR A 61 -10.579 0.203 4.093 1.00 53.12 H new ATOM 995 N ALA A 62 -8.061 -2.281 4.474 1.00 23.04 N ATOM 996 CA ALA A 62 -8.084 -3.699 4.806 1.00 4.13 C ATOM 997 C ALA A 62 -8.896 -3.897 6.100 1.00 0.13 C ATOM 998 O ALA A 62 -8.389 -3.633 7.191 1.00 14.43 O ATOM 999 CB ALA A 62 -6.638 -4.197 4.967 1.00 75.23 C ATOM 0 H ALA A 62 -8.091 -1.678 5.296 1.00 23.04 H new ATOM 0 HA ALA A 62 -8.559 -4.276 4.012 1.00 4.13 H new ATOM 0 HB1 ALA A 62 -6.644 -5.258 5.216 1.00 75.23 H new ATOM 0 HB2 ALA A 62 -6.095 -4.046 4.034 1.00 75.23 H new ATOM 0 HB3 ALA A 62 -6.148 -3.640 5.766 1.00 75.23 H new ATOM 1005 N ARG A 63 -10.178 -4.297 5.975 1.00 53.23 N ATOM 1006 CA ARG A 63 -11.070 -4.485 7.149 1.00 12.40 C ATOM 1007 C ARG A 63 -11.007 -5.929 7.670 1.00 20.31 C ATOM 1008 O ARG A 63 -10.989 -6.146 8.889 1.00 4.32 O ATOM 1009 CB ARG A 63 -12.546 -4.064 6.845 1.00 11.35 C ATOM 1010 CG ARG A 63 -13.179 -4.685 5.567 1.00 34.32 C ATOM 1011 CD ARG A 63 -13.169 -3.737 4.351 1.00 64.35 C ATOM 1012 NE ARG A 63 -14.131 -2.644 4.516 1.00 64.11 N ATOM 1013 CZ ARG A 63 -14.326 -1.644 3.655 1.00 70.12 C ATOM 1014 NH1 ARG A 63 -13.610 -1.543 2.532 1.00 63.52 N ATOM 1015 NH2 ARG A 63 -15.279 -0.761 3.913 1.00 61.13 N ATOM 0 H ARG A 63 -10.622 -4.497 5.079 1.00 53.23 H new ATOM 0 HA ARG A 63 -10.703 -3.823 7.933 1.00 12.40 H new ATOM 0 HB2 ARG A 63 -13.164 -4.334 7.701 1.00 11.35 H new ATOM 0 HB3 ARG A 63 -12.583 -2.978 6.755 1.00 11.35 H new ATOM 0 HG2 ARG A 63 -12.640 -5.597 5.311 1.00 34.32 H new ATOM 0 HG3 ARG A 63 -14.208 -4.973 5.784 1.00 34.32 H new ATOM 0 HD2 ARG A 63 -12.169 -3.326 4.217 1.00 64.35 H new ATOM 0 HD3 ARG A 63 -13.406 -4.299 3.448 1.00 64.35 H new ATOM 0 HE ARG A 63 -14.701 -2.648 5.362 1.00 64.11 H new ATOM 0 HH11 ARG A 63 -12.896 -2.240 2.318 1.00 63.52 H new ATOM 0 HH12 ARG A 63 -13.777 -0.769 1.889 1.00 63.52 H new ATOM 0 HH21 ARG A 63 -15.846 -0.854 4.756 1.00 61.13 H new ATOM 0 HH22 ARG A 63 -15.446 0.012 3.269 1.00 61.13 H new ATOM 1029 N THR A 64 -10.973 -6.913 6.751 1.00 32.35 N ATOM 1030 CA THR A 64 -10.896 -8.345 7.120 1.00 4.51 C ATOM 1031 C THR A 64 -9.430 -8.748 7.312 1.00 34.11 C ATOM 1032 O THR A 64 -8.525 -8.043 6.839 1.00 41.32 O ATOM 1033 CB THR A 64 -11.574 -9.281 6.049 1.00 23.24 C ATOM 1034 OG1 THR A 64 -10.878 -9.207 4.801 1.00 74.13 O ATOM 1035 CG2 THR A 64 -13.056 -8.921 5.823 1.00 62.21 C ATOM 0 H THR A 64 -10.998 -6.745 5.745 1.00 32.35 H new ATOM 0 HA THR A 64 -11.446 -8.473 8.052 1.00 4.51 H new ATOM 0 HB THR A 64 -11.523 -10.297 6.441 1.00 23.24 H new ATOM 0 HG1 THR A 64 -11.088 -8.358 4.359 1.00 74.13 H new ATOM 0 HG21 THR A 64 -13.484 -9.591 5.077 1.00 62.21 H new ATOM 0 HG22 THR A 64 -13.603 -9.025 6.760 1.00 62.21 H new ATOM 0 HG23 THR A 64 -13.131 -7.892 5.471 1.00 62.21 H new ATOM 1043 N LYS A 65 -9.209 -9.885 8.006 1.00 25.20 N ATOM 1044 CA LYS A 65 -7.870 -10.441 8.218 1.00 30.22 C ATOM 1045 C LYS A 65 -7.217 -10.767 6.868 1.00 33.25 C ATOM 1046 O LYS A 65 -6.061 -10.447 6.662 1.00 14.32 O ATOM 1047 CB LYS A 65 -7.936 -11.715 9.098 1.00 62.14 C ATOM 1048 CG LYS A 65 -6.543 -12.301 9.462 1.00 20.01 C ATOM 1049 CD LYS A 65 -6.613 -13.624 10.259 1.00 21.13 C ATOM 1050 CE LYS A 65 -7.365 -13.499 11.595 1.00 22.25 C ATOM 1051 NZ LYS A 65 -6.713 -12.532 12.518 1.00 1.35 N ATOM 0 H LYS A 65 -9.955 -10.436 8.430 1.00 25.20 H new ATOM 0 HA LYS A 65 -7.266 -9.696 8.737 1.00 30.22 H new ATOM 0 HB2 LYS A 65 -8.473 -11.482 10.018 1.00 62.14 H new ATOM 0 HB3 LYS A 65 -8.514 -12.477 8.575 1.00 62.14 H new ATOM 0 HG2 LYS A 65 -5.979 -12.469 8.545 1.00 20.01 H new ATOM 0 HG3 LYS A 65 -5.990 -11.565 10.046 1.00 20.01 H new ATOM 0 HD2 LYS A 65 -7.101 -14.382 9.646 1.00 21.13 H new ATOM 0 HD3 LYS A 65 -5.600 -13.975 10.454 1.00 21.13 H new ATOM 0 HE2 LYS A 65 -8.390 -13.182 11.405 1.00 22.25 H new ATOM 0 HE3 LYS A 65 -7.417 -14.477 12.074 1.00 22.25 H new ATOM 0 HZ1 LYS A 65 -7.234 -12.505 13.418 1.00 1.35 H new ATOM 0 HZ2 LYS A 65 -5.732 -12.828 12.695 1.00 1.35 H new ATOM 0 HZ3 LYS A 65 -6.716 -11.585 12.088 1.00 1.35 H new ATOM 1065 N LYS A 66 -8.021 -11.348 5.947 1.00 65.52 N ATOM 1066 CA LYS A 66 -7.571 -11.757 4.596 1.00 0.52 C ATOM 1067 C LYS A 66 -6.912 -10.574 3.861 1.00 53.23 C ATOM 1068 O LYS A 66 -5.818 -10.700 3.307 1.00 71.01 O ATOM 1069 CB LYS A 66 -8.777 -12.273 3.760 1.00 0.45 C ATOM 1070 CG LYS A 66 -9.641 -13.354 4.446 1.00 34.42 C ATOM 1071 CD LYS A 66 -8.859 -14.648 4.763 1.00 3.14 C ATOM 1072 CE LYS A 66 -9.762 -15.734 5.374 1.00 71.20 C ATOM 1073 NZ LYS A 66 -10.891 -16.101 4.475 1.00 63.00 N ATOM 0 H LYS A 66 -9.006 -11.547 6.122 1.00 65.52 H new ATOM 0 HA LYS A 66 -6.839 -12.557 4.711 1.00 0.52 H new ATOM 0 HB2 LYS A 66 -9.415 -11.425 3.511 1.00 0.45 H new ATOM 0 HB3 LYS A 66 -8.401 -12.675 2.819 1.00 0.45 H new ATOM 0 HG2 LYS A 66 -10.051 -12.949 5.371 1.00 34.42 H new ATOM 0 HG3 LYS A 66 -10.486 -13.597 3.802 1.00 34.42 H new ATOM 0 HD2 LYS A 66 -8.402 -15.028 3.849 1.00 3.14 H new ATOM 0 HD3 LYS A 66 -8.047 -14.421 5.454 1.00 3.14 H new ATOM 0 HE2 LYS A 66 -9.166 -16.622 5.587 1.00 71.20 H new ATOM 0 HE3 LYS A 66 -10.158 -15.381 6.326 1.00 71.20 H new ATOM 0 HZ1 LYS A 66 -11.338 -16.975 4.818 1.00 63.00 H new ATOM 0 HZ2 LYS A 66 -11.592 -15.333 4.467 1.00 63.00 H new ATOM 0 HZ3 LYS A 66 -10.532 -16.252 3.511 1.00 63.00 H new ATOM 1087 N GLU A 67 -7.598 -9.418 3.916 1.00 43.33 N ATOM 1088 CA GLU A 67 -7.134 -8.161 3.317 1.00 0.14 C ATOM 1089 C GLU A 67 -5.909 -7.608 4.067 1.00 23.31 C ATOM 1090 O GLU A 67 -4.956 -7.141 3.439 1.00 3.43 O ATOM 1091 CB GLU A 67 -8.287 -7.130 3.316 1.00 13.11 C ATOM 1092 CG GLU A 67 -9.484 -7.522 2.428 1.00 73.35 C ATOM 1093 CD GLU A 67 -10.633 -6.518 2.527 1.00 15.24 C ATOM 1094 OE1 GLU A 67 -11.176 -6.372 3.642 1.00 2.32 O ATOM 1095 OE2 GLU A 67 -11.011 -5.898 1.509 1.00 71.00 O ATOM 0 H GLU A 67 -8.500 -9.333 4.384 1.00 43.33 H new ATOM 0 HA GLU A 67 -6.829 -8.356 2.289 1.00 0.14 H new ATOM 0 HB2 GLU A 67 -8.637 -6.993 4.339 1.00 13.11 H new ATOM 0 HB3 GLU A 67 -7.899 -6.168 2.980 1.00 13.11 H new ATOM 0 HG2 GLU A 67 -9.156 -7.594 1.391 1.00 73.35 H new ATOM 0 HG3 GLU A 67 -9.841 -8.510 2.719 1.00 73.35 H new ATOM 1102 N ALA A 68 -5.940 -7.706 5.411 1.00 10.30 N ATOM 1103 CA ALA A 68 -4.845 -7.236 6.289 1.00 71.31 C ATOM 1104 C ALA A 68 -3.541 -8.019 6.047 1.00 73.31 C ATOM 1105 O ALA A 68 -2.450 -7.519 6.333 1.00 2.35 O ATOM 1106 CB ALA A 68 -5.285 -7.317 7.762 1.00 65.24 C ATOM 0 H ALA A 68 -6.724 -8.113 5.920 1.00 10.30 H new ATOM 0 HA ALA A 68 -4.633 -6.195 6.044 1.00 71.31 H new ATOM 0 HB1 ALA A 68 -4.475 -6.970 8.403 1.00 65.24 H new ATOM 0 HB2 ALA A 68 -6.163 -6.689 7.915 1.00 65.24 H new ATOM 0 HB3 ALA A 68 -5.529 -8.349 8.013 1.00 65.24 H new ATOM 1112 N GLU A 69 -3.678 -9.239 5.502 1.00 14.43 N ATOM 1113 CA GLU A 69 -2.546 -10.107 5.160 1.00 11.41 C ATOM 1114 C GLU A 69 -2.008 -9.773 3.754 1.00 50.21 C ATOM 1115 O GLU A 69 -0.825 -9.444 3.600 1.00 74.30 O ATOM 1116 CB GLU A 69 -2.985 -11.595 5.243 1.00 1.11 C ATOM 1117 CG GLU A 69 -3.417 -12.065 6.648 1.00 25.11 C ATOM 1118 CD GLU A 69 -2.324 -11.908 7.719 1.00 30.14 C ATOM 1119 OE1 GLU A 69 -1.419 -12.760 7.767 1.00 54.34 O ATOM 1120 OE2 GLU A 69 -2.353 -10.936 8.508 1.00 33.32 O ATOM 0 H GLU A 69 -4.586 -9.651 5.286 1.00 14.43 H new ATOM 0 HA GLU A 69 -1.740 -9.936 5.874 1.00 11.41 H new ATOM 0 HB2 GLU A 69 -3.813 -11.754 4.552 1.00 1.11 H new ATOM 0 HB3 GLU A 69 -2.161 -12.222 4.903 1.00 1.11 H new ATOM 0 HG2 GLU A 69 -4.297 -11.500 6.955 1.00 25.11 H new ATOM 0 HG3 GLU A 69 -3.713 -13.113 6.595 1.00 25.11 H new ATOM 1127 N LYS A 70 -2.900 -9.827 2.740 1.00 23.13 N ATOM 1128 CA LYS A 70 -2.497 -9.727 1.319 1.00 22.41 C ATOM 1129 C LYS A 70 -2.031 -8.304 0.942 1.00 2.21 C ATOM 1130 O LYS A 70 -1.005 -8.153 0.278 1.00 34.34 O ATOM 1131 CB LYS A 70 -3.638 -10.220 0.375 1.00 3.04 C ATOM 1132 CG LYS A 70 -4.972 -9.439 0.455 1.00 72.21 C ATOM 1133 CD LYS A 70 -6.079 -10.072 -0.432 1.00 64.23 C ATOM 1134 CE LYS A 70 -7.427 -9.339 -0.331 1.00 24.11 C ATOM 1135 NZ LYS A 70 -8.477 -9.962 -1.189 1.00 52.41 N ATOM 0 H LYS A 70 -3.904 -9.939 2.879 1.00 23.13 H new ATOM 0 HA LYS A 70 -1.639 -10.385 1.183 1.00 22.41 H new ATOM 0 HB2 LYS A 70 -3.276 -10.177 -0.652 1.00 3.04 H new ATOM 0 HB3 LYS A 70 -3.840 -11.268 0.598 1.00 3.04 H new ATOM 0 HG2 LYS A 70 -5.312 -9.409 1.490 1.00 72.21 H new ATOM 0 HG3 LYS A 70 -4.806 -8.408 0.144 1.00 72.21 H new ATOM 0 HD2 LYS A 70 -5.749 -10.071 -1.471 1.00 64.23 H new ATOM 0 HD3 LYS A 70 -6.216 -11.114 -0.143 1.00 64.23 H new ATOM 0 HE2 LYS A 70 -7.761 -9.340 0.706 1.00 24.11 H new ATOM 0 HE3 LYS A 70 -7.294 -8.297 -0.622 1.00 24.11 H new ATOM 0 HZ1 LYS A 70 -9.270 -9.299 -1.304 1.00 52.41 H new ATOM 0 HZ2 LYS A 70 -8.075 -10.186 -2.122 1.00 52.41 H new ATOM 0 HZ3 LYS A 70 -8.819 -10.836 -0.740 1.00 52.41 H new ATOM 1149 N PHE A 71 -2.773 -7.274 1.404 1.00 2.54 N ATOM 1150 CA PHE A 71 -2.489 -5.856 1.074 1.00 71.44 C ATOM 1151 C PHE A 71 -1.203 -5.385 1.745 1.00 13.32 C ATOM 1152 O PHE A 71 -0.449 -4.587 1.165 1.00 31.53 O ATOM 1153 CB PHE A 71 -3.674 -4.939 1.479 1.00 74.42 C ATOM 1154 CG PHE A 71 -4.970 -5.181 0.695 1.00 73.43 C ATOM 1155 CD1 PHE A 71 -4.945 -5.728 -0.584 1.00 2.31 C ATOM 1156 CD2 PHE A 71 -6.208 -4.850 1.235 1.00 42.45 C ATOM 1157 CE1 PHE A 71 -6.105 -5.931 -1.290 1.00 33.44 C ATOM 1158 CE2 PHE A 71 -7.372 -5.055 0.520 1.00 15.02 C ATOM 1159 CZ PHE A 71 -7.320 -5.597 -0.738 1.00 52.42 C ATOM 0 H PHE A 71 -3.582 -7.398 2.013 1.00 2.54 H new ATOM 0 HA PHE A 71 -2.358 -5.790 -0.006 1.00 71.44 H new ATOM 0 HB2 PHE A 71 -3.877 -5.078 2.541 1.00 74.42 H new ATOM 0 HB3 PHE A 71 -3.373 -3.900 1.345 1.00 74.42 H new ATOM 0 HD1 PHE A 71 -3.998 -5.997 -1.029 1.00 2.31 H new ATOM 0 HD2 PHE A 71 -6.260 -4.427 2.227 1.00 42.45 H new ATOM 0 HE1 PHE A 71 -6.063 -6.355 -2.283 1.00 33.44 H new ATOM 0 HE2 PHE A 71 -8.325 -4.788 0.953 1.00 15.02 H new ATOM 0 HZ PHE A 71 -8.231 -5.761 -1.295 1.00 52.42 H new ATOM 1169 N ALA A 72 -0.969 -5.894 2.969 1.00 33.21 N ATOM 1170 CA ALA A 72 0.284 -5.674 3.683 1.00 4.42 C ATOM 1171 C ALA A 72 1.448 -6.277 2.879 1.00 42.42 C ATOM 1172 O ALA A 72 2.374 -5.562 2.543 1.00 31.15 O ATOM 1173 CB ALA A 72 0.219 -6.260 5.097 1.00 10.22 C ATOM 0 H ALA A 72 -1.643 -6.464 3.480 1.00 33.21 H new ATOM 0 HA ALA A 72 0.451 -4.602 3.786 1.00 4.42 H new ATOM 0 HB1 ALA A 72 1.165 -6.083 5.608 1.00 10.22 H new ATOM 0 HB2 ALA A 72 -0.588 -5.782 5.652 1.00 10.22 H new ATOM 0 HB3 ALA A 72 0.034 -7.333 5.038 1.00 10.22 H new ATOM 1179 N ALA A 73 1.310 -7.568 2.487 1.00 23.43 N ATOM 1180 CA ALA A 73 2.371 -8.339 1.783 1.00 34.44 C ATOM 1181 C ALA A 73 2.876 -7.629 0.503 1.00 20.43 C ATOM 1182 O ALA A 73 4.089 -7.476 0.310 1.00 3.44 O ATOM 1183 CB ALA A 73 1.860 -9.750 1.441 1.00 44.42 C ATOM 0 H ALA A 73 0.459 -8.107 2.649 1.00 23.43 H new ATOM 0 HA ALA A 73 3.220 -8.410 2.463 1.00 34.44 H new ATOM 0 HB1 ALA A 73 2.644 -10.306 0.926 1.00 44.42 H new ATOM 0 HB2 ALA A 73 1.589 -10.271 2.359 1.00 44.42 H new ATOM 0 HB3 ALA A 73 0.985 -9.674 0.795 1.00 44.42 H new ATOM 1189 N ILE A 74 1.920 -7.171 -0.338 1.00 52.24 N ATOM 1190 CA ILE A 74 2.211 -6.454 -1.598 1.00 74.15 C ATOM 1191 C ILE A 74 2.957 -5.130 -1.295 1.00 62.13 C ATOM 1192 O ILE A 74 3.893 -4.754 -2.003 1.00 62.32 O ATOM 1193 CB ILE A 74 0.884 -6.143 -2.408 1.00 24.13 C ATOM 1194 CG1 ILE A 74 0.052 -7.445 -2.654 1.00 33.33 C ATOM 1195 CG2 ILE A 74 1.195 -5.436 -3.752 1.00 12.41 C ATOM 1196 CD1 ILE A 74 -1.344 -7.222 -3.241 1.00 63.02 C ATOM 0 H ILE A 74 0.923 -7.289 -0.160 1.00 52.24 H new ATOM 0 HA ILE A 74 2.841 -7.099 -2.210 1.00 74.15 H new ATOM 0 HB ILE A 74 0.285 -5.465 -1.800 1.00 24.13 H new ATOM 0 HG12 ILE A 74 0.613 -8.094 -3.327 1.00 33.33 H new ATOM 0 HG13 ILE A 74 -0.049 -7.977 -1.708 1.00 33.33 H new ATOM 0 HG21 ILE A 74 0.264 -5.237 -4.282 1.00 12.41 H new ATOM 0 HG22 ILE A 74 1.710 -4.495 -3.558 1.00 12.41 H new ATOM 0 HG23 ILE A 74 1.830 -6.078 -4.362 1.00 12.41 H new ATOM 0 HD11 ILE A 74 -1.840 -8.183 -3.374 1.00 63.02 H new ATOM 0 HD12 ILE A 74 -1.930 -6.602 -2.562 1.00 63.02 H new ATOM 0 HD13 ILE A 74 -1.257 -6.721 -4.205 1.00 63.02 H new ATOM 1208 N LEU A 75 2.543 -4.467 -0.194 1.00 34.24 N ATOM 1209 CA LEU A 75 3.106 -3.178 0.236 1.00 74.34 C ATOM 1210 C LEU A 75 4.506 -3.356 0.882 1.00 65.11 C ATOM 1211 O LEU A 75 5.341 -2.445 0.821 1.00 71.24 O ATOM 1212 CB LEU A 75 2.123 -2.477 1.213 1.00 31.42 C ATOM 1213 CG LEU A 75 2.449 -0.997 1.560 1.00 63.43 C ATOM 1214 CD1 LEU A 75 2.572 -0.145 0.277 1.00 64.12 C ATOM 1215 CD2 LEU A 75 1.405 -0.421 2.547 1.00 42.14 C ATOM 0 H LEU A 75 1.807 -4.815 0.420 1.00 34.24 H new ATOM 0 HA LEU A 75 3.239 -2.548 -0.643 1.00 74.34 H new ATOM 0 HB2 LEU A 75 1.123 -2.517 0.782 1.00 31.42 H new ATOM 0 HB3 LEU A 75 2.093 -3.049 2.140 1.00 31.42 H new ATOM 0 HG LEU A 75 3.417 -0.963 2.060 1.00 63.43 H new ATOM 0 HD11 LEU A 75 2.800 0.886 0.546 1.00 64.12 H new ATOM 0 HD12 LEU A 75 3.371 -0.543 -0.349 1.00 64.12 H new ATOM 0 HD13 LEU A 75 1.631 -0.177 -0.273 1.00 64.12 H new ATOM 0 HD21 LEU A 75 1.653 0.615 2.775 1.00 42.14 H new ATOM 0 HD22 LEU A 75 0.414 -0.466 2.095 1.00 42.14 H new ATOM 0 HD23 LEU A 75 1.411 -1.007 3.466 1.00 42.14 H new ATOM 1227 N ILE A 76 4.749 -4.543 1.474 1.00 74.02 N ATOM 1228 CA ILE A 76 6.065 -4.933 2.024 1.00 31.55 C ATOM 1229 C ILE A 76 7.071 -5.045 0.865 1.00 75.13 C ATOM 1230 O ILE A 76 8.213 -4.604 0.987 1.00 73.54 O ATOM 1231 CB ILE A 76 5.960 -6.296 2.865 1.00 21.32 C ATOM 1232 CG1 ILE A 76 5.654 -6.034 4.381 1.00 75.45 C ATOM 1233 CG2 ILE A 76 7.219 -7.187 2.741 1.00 51.02 C ATOM 1234 CD1 ILE A 76 4.482 -5.117 4.675 1.00 0.11 C ATOM 0 H ILE A 76 4.034 -5.262 1.585 1.00 74.02 H new ATOM 0 HA ILE A 76 6.414 -4.171 2.720 1.00 31.55 H new ATOM 0 HB ILE A 76 5.123 -6.835 2.422 1.00 21.32 H new ATOM 0 HG12 ILE A 76 5.469 -6.993 4.865 1.00 75.45 H new ATOM 0 HG13 ILE A 76 6.546 -5.610 4.843 1.00 75.45 H new ATOM 0 HG21 ILE A 76 7.084 -8.092 3.333 1.00 51.02 H new ATOM 0 HG22 ILE A 76 7.373 -7.456 1.696 1.00 51.02 H new ATOM 0 HG23 ILE A 76 8.089 -6.641 3.107 1.00 51.02 H new ATOM 0 HD11 ILE A 76 4.366 -5.010 5.753 1.00 0.11 H new ATOM 0 HD12 ILE A 76 4.665 -4.139 4.231 1.00 0.11 H new ATOM 0 HD13 ILE A 76 3.572 -5.543 4.253 1.00 0.11 H new ATOM 1246 N LYS A 77 6.595 -5.609 -0.270 1.00 11.03 N ATOM 1247 CA LYS A 77 7.388 -5.729 -1.512 1.00 4.33 C ATOM 1248 C LYS A 77 7.739 -4.340 -2.084 1.00 21.25 C ATOM 1249 O LYS A 77 8.865 -4.129 -2.530 1.00 71.25 O ATOM 1250 CB LYS A 77 6.623 -6.579 -2.560 1.00 1.43 C ATOM 1251 CG LYS A 77 6.251 -7.993 -2.061 1.00 51.00 C ATOM 1252 CD LYS A 77 5.431 -8.809 -3.089 1.00 34.31 C ATOM 1253 CE LYS A 77 6.241 -9.186 -4.340 1.00 63.43 C ATOM 1254 NZ LYS A 77 5.460 -10.066 -5.256 1.00 72.14 N ATOM 0 H LYS A 77 5.653 -5.992 -0.348 1.00 11.03 H new ATOM 0 HA LYS A 77 8.323 -6.235 -1.271 1.00 4.33 H new ATOM 0 HB2 LYS A 77 5.712 -6.053 -2.846 1.00 1.43 H new ATOM 0 HB3 LYS A 77 7.235 -6.669 -3.458 1.00 1.43 H new ATOM 0 HG2 LYS A 77 7.164 -8.538 -1.820 1.00 51.00 H new ATOM 0 HG3 LYS A 77 5.679 -7.906 -1.137 1.00 51.00 H new ATOM 0 HD2 LYS A 77 5.064 -9.718 -2.613 1.00 34.31 H new ATOM 0 HD3 LYS A 77 4.557 -8.231 -3.389 1.00 34.31 H new ATOM 0 HE2 LYS A 77 6.536 -8.280 -4.869 1.00 63.43 H new ATOM 0 HE3 LYS A 77 7.158 -9.694 -4.041 1.00 63.43 H new ATOM 0 HZ1 LYS A 77 6.038 -10.300 -6.089 1.00 72.14 H new ATOM 0 HZ2 LYS A 77 5.199 -10.941 -4.758 1.00 72.14 H new ATOM 0 HZ3 LYS A 77 4.597 -9.571 -5.561 1.00 72.14 H new ATOM 1268 N VAL A 78 6.765 -3.398 -2.030 1.00 60.04 N ATOM 1269 CA VAL A 78 6.944 -2.001 -2.498 1.00 32.55 C ATOM 1270 C VAL A 78 8.079 -1.304 -1.708 1.00 3.41 C ATOM 1271 O VAL A 78 8.966 -0.678 -2.296 1.00 41.13 O ATOM 1272 CB VAL A 78 5.600 -1.178 -2.368 1.00 52.21 C ATOM 1273 CG1 VAL A 78 5.788 0.318 -2.725 1.00 24.45 C ATOM 1274 CG2 VAL A 78 4.484 -1.806 -3.237 1.00 21.13 C ATOM 0 H VAL A 78 5.833 -3.586 -1.661 1.00 60.04 H new ATOM 0 HA VAL A 78 7.220 -2.035 -3.552 1.00 32.55 H new ATOM 0 HB VAL A 78 5.300 -1.225 -1.321 1.00 52.21 H new ATOM 0 HG11 VAL A 78 4.837 0.839 -2.620 1.00 24.45 H new ATOM 0 HG12 VAL A 78 6.522 0.763 -2.053 1.00 24.45 H new ATOM 0 HG13 VAL A 78 6.138 0.405 -3.754 1.00 24.45 H new ATOM 0 HG21 VAL A 78 3.569 -1.223 -3.131 1.00 21.13 H new ATOM 0 HG22 VAL A 78 4.794 -1.808 -4.282 1.00 21.13 H new ATOM 0 HG23 VAL A 78 4.301 -2.830 -2.911 1.00 21.13 H new ATOM 1284 N TYR A 79 8.040 -1.454 -0.371 1.00 30.33 N ATOM 1285 CA TYR A 79 9.044 -0.869 0.541 1.00 42.33 C ATOM 1286 C TYR A 79 10.396 -1.611 0.464 1.00 43.33 C ATOM 1287 O TYR A 79 11.446 -0.995 0.667 1.00 2.40 O ATOM 1288 CB TYR A 79 8.495 -0.835 2.000 1.00 50.25 C ATOM 1289 CG TYR A 79 7.592 0.375 2.295 1.00 62.10 C ATOM 1290 CD1 TYR A 79 6.350 0.532 1.670 1.00 73.34 C ATOM 1291 CD2 TYR A 79 7.995 1.372 3.193 1.00 72.33 C ATOM 1292 CE1 TYR A 79 5.553 1.632 1.931 1.00 33.11 C ATOM 1293 CE2 TYR A 79 7.202 2.470 3.453 1.00 61.44 C ATOM 1294 CZ TYR A 79 5.983 2.597 2.825 1.00 11.24 C ATOM 1295 OH TYR A 79 5.198 3.700 3.085 1.00 12.11 O ATOM 0 H TYR A 79 7.312 -1.984 0.109 1.00 30.33 H new ATOM 0 HA TYR A 79 9.231 0.155 0.219 1.00 42.33 H new ATOM 0 HB2 TYR A 79 7.934 -1.750 2.189 1.00 50.25 H new ATOM 0 HB3 TYR A 79 9.335 -0.828 2.694 1.00 50.25 H new ATOM 0 HD1 TYR A 79 6.008 -0.218 0.972 1.00 73.34 H new ATOM 0 HD2 TYR A 79 8.948 1.279 3.693 1.00 72.33 H new ATOM 0 HE1 TYR A 79 4.598 1.738 1.438 1.00 33.11 H new ATOM 0 HE2 TYR A 79 7.536 3.228 4.147 1.00 61.44 H new ATOM 0 HH TYR A 79 5.649 4.276 3.737 1.00 12.11 H new ATOM 1305 N ALA A 80 10.361 -2.921 0.144 1.00 34.41 N ATOM 1306 CA ALA A 80 11.579 -3.743 -0.016 1.00 15.42 C ATOM 1307 C ALA A 80 12.350 -3.330 -1.277 1.00 52.25 C ATOM 1308 O ALA A 80 13.579 -3.396 -1.301 1.00 62.52 O ATOM 1309 CB ALA A 80 11.220 -5.234 -0.059 1.00 72.34 C ATOM 0 H ALA A 80 9.494 -3.436 -0.010 1.00 34.41 H new ATOM 0 HA ALA A 80 12.225 -3.573 0.846 1.00 15.42 H new ATOM 0 HB1 ALA A 80 12.129 -5.824 -0.177 1.00 72.34 H new ATOM 0 HB2 ALA A 80 10.723 -5.515 0.869 1.00 72.34 H new ATOM 0 HB3 ALA A 80 10.553 -5.423 -0.900 1.00 72.34 H new ATOM 1315 N GLU A 81 11.608 -2.899 -2.315 1.00 54.02 N ATOM 1316 CA GLU A 81 12.185 -2.397 -3.578 1.00 12.42 C ATOM 1317 C GLU A 81 12.979 -1.100 -3.355 1.00 4.31 C ATOM 1318 O GLU A 81 14.064 -0.921 -3.910 1.00 23.41 O ATOM 1319 CB GLU A 81 11.054 -2.137 -4.604 1.00 23.43 C ATOM 1320 CG GLU A 81 10.412 -3.401 -5.211 1.00 71.13 C ATOM 1321 CD GLU A 81 11.296 -4.058 -6.280 1.00 31.02 C ATOM 1322 OE1 GLU A 81 11.323 -3.550 -7.426 1.00 2.54 O ATOM 1323 OE2 GLU A 81 11.981 -5.056 -5.983 1.00 32.22 O ATOM 0 H GLU A 81 10.588 -2.889 -2.302 1.00 54.02 H new ATOM 0 HA GLU A 81 12.868 -3.156 -3.960 1.00 12.42 H new ATOM 0 HB2 GLU A 81 10.274 -1.550 -4.119 1.00 23.43 H new ATOM 0 HB3 GLU A 81 11.454 -1.528 -5.414 1.00 23.43 H new ATOM 0 HG2 GLU A 81 10.214 -4.120 -4.417 1.00 71.13 H new ATOM 0 HG3 GLU A 81 9.450 -3.139 -5.651 1.00 71.13 H new ATOM 1330 N LEU A 82 12.405 -0.201 -2.542 1.00 21.45 N ATOM 1331 CA LEU A 82 12.956 1.149 -2.303 1.00 20.44 C ATOM 1332 C LEU A 82 13.993 1.154 -1.161 1.00 13.22 C ATOM 1333 O LEU A 82 14.828 2.065 -1.077 1.00 51.34 O ATOM 1334 CB LEU A 82 11.786 2.124 -1.997 1.00 43.30 C ATOM 1335 CG LEU A 82 10.634 2.148 -3.052 1.00 25.52 C ATOM 1336 CD1 LEU A 82 9.539 3.161 -2.660 1.00 73.12 C ATOM 1337 CD2 LEU A 82 11.182 2.405 -4.474 1.00 64.13 C ATOM 0 H LEU A 82 11.543 -0.386 -2.029 1.00 21.45 H new ATOM 0 HA LEU A 82 13.481 1.476 -3.200 1.00 20.44 H new ATOM 0 HB2 LEU A 82 11.362 1.861 -1.028 1.00 43.30 H new ATOM 0 HB3 LEU A 82 12.191 3.132 -1.905 1.00 43.30 H new ATOM 0 HG LEU A 82 10.168 1.163 -3.063 1.00 25.52 H new ATOM 0 HD11 LEU A 82 8.751 3.155 -3.413 1.00 73.12 H new ATOM 0 HD12 LEU A 82 9.118 2.886 -1.693 1.00 73.12 H new ATOM 0 HD13 LEU A 82 9.973 4.159 -2.597 1.00 73.12 H new ATOM 0 HD21 LEU A 82 10.356 2.416 -5.186 1.00 64.13 H new ATOM 0 HD22 LEU A 82 11.695 3.367 -4.498 1.00 64.13 H new ATOM 0 HD23 LEU A 82 11.882 1.614 -4.743 1.00 64.13 H new ATOM 1349 N GLY A 83 13.918 0.136 -0.298 1.00 71.52 N ATOM 1350 CA GLY A 83 14.807 0.007 0.858 1.00 3.24 C ATOM 1351 C GLY A 83 14.702 -1.381 1.461 1.00 64.02 C ATOM 1352 O GLY A 83 13.855 -1.616 2.332 1.00 10.24 O ATOM 0 H GLY A 83 13.239 -0.621 -0.382 1.00 71.52 H new ATOM 0 HA2 GLY A 83 15.836 0.201 0.555 1.00 3.24 H new ATOM 0 HA3 GLY A 83 14.549 0.755 1.607 1.00 3.24 H new ATOM 1356 N TYR A 84 15.542 -2.307 0.959 1.00 30.32 N ATOM 1357 CA TYR A 84 15.563 -3.716 1.389 1.00 72.10 C ATOM 1358 C TYR A 84 16.101 -3.826 2.834 1.00 11.14 C ATOM 1359 O TYR A 84 17.304 -4.003 3.067 1.00 44.34 O ATOM 1360 CB TYR A 84 16.410 -4.546 0.382 1.00 61.12 C ATOM 1361 CG TYR A 84 16.370 -6.066 0.592 1.00 61.44 C ATOM 1362 CD1 TYR A 84 15.227 -6.798 0.267 1.00 72.50 C ATOM 1363 CD2 TYR A 84 17.465 -6.765 1.119 1.00 64.21 C ATOM 1364 CE1 TYR A 84 15.178 -8.165 0.448 1.00 4.11 C ATOM 1365 CE2 TYR A 84 17.419 -8.135 1.304 1.00 64.23 C ATOM 1366 CZ TYR A 84 16.272 -8.830 0.973 1.00 52.44 C ATOM 1367 OH TYR A 84 16.220 -10.199 1.165 1.00 62.43 O ATOM 0 H TYR A 84 16.231 -2.095 0.237 1.00 30.32 H new ATOM 0 HA TYR A 84 14.551 -4.121 1.394 1.00 72.10 H new ATOM 0 HB2 TYR A 84 16.064 -4.326 -0.628 1.00 61.12 H new ATOM 0 HB3 TYR A 84 17.446 -4.214 0.443 1.00 61.12 H new ATOM 0 HD1 TYR A 84 14.365 -6.285 -0.134 1.00 72.50 H new ATOM 0 HD2 TYR A 84 18.361 -6.224 1.385 1.00 64.21 H new ATOM 0 HE1 TYR A 84 14.288 -8.715 0.180 1.00 4.11 H new ATOM 0 HE2 TYR A 84 18.275 -8.658 1.705 1.00 64.23 H new ATOM 0 HH TYR A 84 17.071 -10.509 1.540 1.00 62.43 H new ATOM 1377 N ASN A 85 15.177 -3.665 3.784 1.00 53.40 N ATOM 1378 CA ASN A 85 15.432 -3.676 5.239 1.00 64.52 C ATOM 1379 C ASN A 85 14.239 -4.362 5.935 1.00 45.44 C ATOM 1380 O ASN A 85 13.409 -4.995 5.266 1.00 1.40 O ATOM 1381 CB ASN A 85 15.603 -2.212 5.779 1.00 44.42 C ATOM 1382 CG ASN A 85 16.892 -1.503 5.340 1.00 0.41 C ATOM 1383 OD1 ASN A 85 17.945 -2.122 5.171 1.00 44.01 O ATOM 1384 ND2 ASN A 85 16.827 -0.191 5.171 1.00 11.12 N ATOM 0 H ASN A 85 14.193 -3.518 3.560 1.00 53.40 H new ATOM 0 HA ASN A 85 16.353 -4.221 5.448 1.00 64.52 H new ATOM 0 HB2 ASN A 85 14.750 -1.618 5.451 1.00 44.42 H new ATOM 0 HB3 ASN A 85 15.573 -2.237 6.868 1.00 44.42 H new ATOM 0 HD21 ASN A 85 17.660 0.330 4.895 1.00 11.12 H new ATOM 0 HD22 ASN A 85 15.944 0.299 5.317 1.00 11.12 H new ATOM 1391 N ASP A 86 14.173 -4.251 7.274 1.00 51.41 N ATOM 1392 CA ASP A 86 12.990 -4.659 8.046 1.00 51.35 C ATOM 1393 C ASP A 86 11.854 -3.645 7.802 1.00 3.00 C ATOM 1394 O ASP A 86 12.095 -2.433 7.717 1.00 52.25 O ATOM 1395 CB ASP A 86 13.332 -4.768 9.551 1.00 24.33 C ATOM 1396 CG ASP A 86 12.121 -5.137 10.430 1.00 25.33 C ATOM 1397 OD1 ASP A 86 11.856 -6.342 10.627 1.00 23.11 O ATOM 1398 OD2 ASP A 86 11.424 -4.226 10.918 1.00 65.12 O ATOM 0 H ASP A 86 14.932 -3.879 7.845 1.00 51.41 H new ATOM 0 HA ASP A 86 12.661 -5.644 7.716 1.00 51.35 H new ATOM 0 HB2 ASP A 86 14.111 -5.519 9.685 1.00 24.33 H new ATOM 0 HB3 ASP A 86 13.743 -3.818 9.892 1.00 24.33 H new ATOM 1403 N ILE A 87 10.626 -4.157 7.671 1.00 22.35 N ATOM 1404 CA ILE A 87 9.448 -3.366 7.287 1.00 60.12 C ATOM 1405 C ILE A 87 8.476 -3.278 8.483 1.00 62.30 C ATOM 1406 O ILE A 87 8.092 -4.312 9.039 1.00 53.25 O ATOM 1407 CB ILE A 87 8.731 -4.034 6.048 1.00 70.43 C ATOM 1408 CG1 ILE A 87 9.736 -4.322 4.876 1.00 62.34 C ATOM 1409 CG2 ILE A 87 7.558 -3.167 5.555 1.00 62.10 C ATOM 1410 CD1 ILE A 87 10.447 -3.097 4.314 1.00 11.35 C ATOM 0 H ILE A 87 10.418 -5.143 7.830 1.00 22.35 H new ATOM 0 HA ILE A 87 9.762 -2.360 7.007 1.00 60.12 H new ATOM 0 HB ILE A 87 8.335 -4.992 6.385 1.00 70.43 H new ATOM 0 HG12 ILE A 87 10.488 -5.028 5.229 1.00 62.34 H new ATOM 0 HG13 ILE A 87 9.194 -4.811 4.066 1.00 62.34 H new ATOM 0 HG21 ILE A 87 7.082 -3.650 4.702 1.00 62.10 H new ATOM 0 HG22 ILE A 87 6.830 -3.049 6.358 1.00 62.10 H new ATOM 0 HG23 ILE A 87 7.930 -2.187 5.256 1.00 62.10 H new ATOM 0 HD11 ILE A 87 11.118 -3.402 3.511 1.00 11.35 H new ATOM 0 HD12 ILE A 87 9.710 -2.395 3.924 1.00 11.35 H new ATOM 0 HD13 ILE A 87 11.023 -2.616 5.105 1.00 11.35 H new ATOM 1422 N ASN A 88 8.090 -2.046 8.874 1.00 24.25 N ATOM 1423 CA ASN A 88 7.212 -1.810 10.039 1.00 31.44 C ATOM 1424 C ASN A 88 5.745 -1.804 9.587 1.00 52.12 C ATOM 1425 O ASN A 88 5.310 -0.887 8.889 1.00 25.35 O ATOM 1426 CB ASN A 88 7.574 -0.467 10.725 1.00 22.25 C ATOM 1427 CG ASN A 88 6.910 -0.246 12.100 1.00 74.13 C ATOM 1428 OD1 ASN A 88 5.798 -0.704 12.373 1.00 24.51 O ATOM 1429 ND2 ASN A 88 7.599 0.462 12.986 1.00 71.43 N ATOM 0 H ASN A 88 8.376 -1.192 8.395 1.00 24.25 H new ATOM 0 HA ASN A 88 7.357 -2.612 10.763 1.00 31.44 H new ATOM 0 HB2 ASN A 88 8.656 -0.417 10.847 1.00 22.25 H new ATOM 0 HB3 ASN A 88 7.290 0.351 10.064 1.00 22.25 H new ATOM 0 HD21 ASN A 88 7.210 0.636 13.913 1.00 71.43 H new ATOM 0 HD22 ASN A 88 8.517 0.832 12.740 1.00 71.43 H new ATOM 1436 N VAL A 89 5.003 -2.849 9.980 1.00 52.44 N ATOM 1437 CA VAL A 89 3.573 -3.003 9.668 1.00 3.54 C ATOM 1438 C VAL A 89 2.724 -2.576 10.883 1.00 72.14 C ATOM 1439 O VAL A 89 3.124 -2.780 12.037 1.00 54.11 O ATOM 1440 CB VAL A 89 3.230 -4.495 9.287 1.00 34.10 C ATOM 1441 CG1 VAL A 89 1.817 -4.611 8.656 1.00 13.43 C ATOM 1442 CG2 VAL A 89 4.320 -5.092 8.372 1.00 51.44 C ATOM 0 H VAL A 89 5.382 -3.620 10.530 1.00 52.44 H new ATOM 0 HA VAL A 89 3.343 -2.367 8.813 1.00 3.54 H new ATOM 0 HB VAL A 89 3.214 -5.082 10.206 1.00 34.10 H new ATOM 0 HG11 VAL A 89 1.615 -5.652 8.406 1.00 13.43 H new ATOM 0 HG12 VAL A 89 1.071 -4.257 9.367 1.00 13.43 H new ATOM 0 HG13 VAL A 89 1.772 -4.005 7.751 1.00 13.43 H new ATOM 0 HG21 VAL A 89 4.062 -6.121 8.123 1.00 51.44 H new ATOM 0 HG22 VAL A 89 4.390 -4.503 7.457 1.00 51.44 H new ATOM 0 HG23 VAL A 89 5.279 -5.074 8.889 1.00 51.44 H new ATOM 1452 N THR A 90 1.559 -1.979 10.610 1.00 75.22 N ATOM 1453 CA THR A 90 0.585 -1.548 11.627 1.00 25.21 C ATOM 1454 C THR A 90 -0.835 -1.760 11.063 1.00 73.14 C ATOM 1455 O THR A 90 -1.039 -1.639 9.855 1.00 2.22 O ATOM 1456 CB THR A 90 0.809 -0.035 12.000 1.00 64.05 C ATOM 1457 OG1 THR A 90 2.150 0.153 12.494 1.00 63.05 O ATOM 1458 CG2 THR A 90 -0.193 0.479 13.055 1.00 41.23 C ATOM 0 H THR A 90 1.258 -1.776 9.657 1.00 75.22 H new ATOM 0 HA THR A 90 0.715 -2.137 12.535 1.00 25.21 H new ATOM 0 HB THR A 90 0.649 0.540 11.088 1.00 64.05 H new ATOM 0 HG1 THR A 90 2.285 1.096 12.723 1.00 63.05 H new ATOM 0 HG21 THR A 90 0.012 1.528 13.271 1.00 41.23 H new ATOM 0 HG22 THR A 90 -1.208 0.379 12.671 1.00 41.23 H new ATOM 0 HG23 THR A 90 -0.091 -0.106 13.969 1.00 41.23 H new ATOM 1466 N TRP A 91 -1.796 -2.121 11.925 1.00 53.35 N ATOM 1467 CA TRP A 91 -3.217 -2.199 11.547 1.00 73.44 C ATOM 1468 C TRP A 91 -4.011 -1.189 12.399 1.00 71.21 C ATOM 1469 O TRP A 91 -4.214 -1.394 13.601 1.00 11.53 O ATOM 1470 CB TRP A 91 -3.762 -3.637 11.726 1.00 72.34 C ATOM 1471 CG TRP A 91 -5.124 -3.846 11.094 1.00 45.52 C ATOM 1472 CD1 TRP A 91 -5.404 -3.813 9.757 1.00 40.24 C ATOM 1473 CD2 TRP A 91 -6.374 -4.125 11.751 1.00 2.32 C ATOM 1474 NE1 TRP A 91 -6.732 -4.038 9.545 1.00 45.54 N ATOM 1475 CE2 TRP A 91 -7.353 -4.237 10.746 1.00 71.44 C ATOM 1476 CE3 TRP A 91 -6.761 -4.289 13.084 1.00 13.44 C ATOM 1477 CZ2 TRP A 91 -8.690 -4.507 11.026 1.00 33.33 C ATOM 1478 CZ3 TRP A 91 -8.089 -4.557 13.365 1.00 13.30 C ATOM 1479 CH2 TRP A 91 -9.041 -4.662 12.339 1.00 31.43 C ATOM 0 H TRP A 91 -1.614 -2.366 12.898 1.00 53.35 H new ATOM 0 HA TRP A 91 -3.329 -1.947 10.492 1.00 73.44 H new ATOM 0 HB2 TRP A 91 -3.055 -4.343 11.290 1.00 72.34 H new ATOM 0 HB3 TRP A 91 -3.824 -3.864 12.790 1.00 72.34 H new ATOM 0 HD1 TRP A 91 -4.677 -3.634 8.979 1.00 40.24 H new ATOM 0 HE1 TRP A 91 -7.190 -4.055 8.634 1.00 45.54 H new ATOM 0 HE3 TRP A 91 -6.036 -4.208 13.881 1.00 13.44 H new ATOM 0 HZ2 TRP A 91 -9.422 -4.591 10.236 1.00 33.33 H new ATOM 0 HZ3 TRP A 91 -8.398 -4.688 14.391 1.00 13.30 H new ATOM 0 HH2 TRP A 91 -10.071 -4.869 12.591 1.00 31.43 H new ATOM 1490 N ASP A 92 -4.424 -0.089 11.765 1.00 74.13 N ATOM 1491 CA ASP A 92 -5.150 1.022 12.423 1.00 74.42 C ATOM 1492 C ASP A 92 -6.633 0.698 12.630 1.00 60.42 C ATOM 1493 O ASP A 92 -7.331 1.399 13.363 1.00 75.04 O ATOM 1494 CB ASP A 92 -5.024 2.308 11.566 1.00 45.11 C ATOM 1495 CG ASP A 92 -3.571 2.767 11.350 1.00 2.04 C ATOM 1496 OD1 ASP A 92 -2.792 2.015 10.721 1.00 10.43 O ATOM 1497 OD2 ASP A 92 -3.203 3.879 11.801 1.00 14.24 O ATOM 0 H ASP A 92 -4.266 0.066 10.769 1.00 74.13 H new ATOM 0 HA ASP A 92 -4.699 1.172 13.404 1.00 74.42 H new ATOM 0 HB2 ASP A 92 -5.489 2.134 10.596 1.00 45.11 H new ATOM 0 HB3 ASP A 92 -5.582 3.111 12.048 1.00 45.11 H new ATOM 1502 N GLY A 93 -7.097 -0.381 11.983 1.00 5.12 N ATOM 1503 CA GLY A 93 -8.514 -0.716 11.942 1.00 33.23 C ATOM 1504 C GLY A 93 -9.121 -0.236 10.639 1.00 70.31 C ATOM 1505 O GLY A 93 -9.169 0.979 10.401 1.00 21.01 O ATOM 0 H GLY A 93 -6.500 -1.037 11.479 1.00 5.12 H new ATOM 0 HA2 GLY A 93 -8.645 -1.794 12.039 1.00 33.23 H new ATOM 0 HA3 GLY A 93 -9.030 -0.256 12.785 1.00 33.23 H new ATOM 1509 N ASP A 94 -9.526 -1.201 9.774 1.00 3.31 N ATOM 1510 CA ASP A 94 -10.068 -0.944 8.409 1.00 24.34 C ATOM 1511 C ASP A 94 -8.935 -0.489 7.452 1.00 60.50 C ATOM 1512 O ASP A 94 -9.164 -0.301 6.261 1.00 12.22 O ATOM 1513 CB ASP A 94 -11.265 0.078 8.427 1.00 41.52 C ATOM 1514 CG ASP A 94 -12.069 0.151 7.101 1.00 11.30 C ATOM 1515 OD1 ASP A 94 -13.004 -0.667 6.904 1.00 2.14 O ATOM 1516 OD2 ASP A 94 -11.800 1.043 6.266 1.00 74.44 O ATOM 0 H ASP A 94 -9.486 -2.194 10.006 1.00 3.31 H new ATOM 0 HA ASP A 94 -10.474 -1.882 8.031 1.00 24.34 H new ATOM 0 HB2 ASP A 94 -11.945 -0.192 9.235 1.00 41.52 H new ATOM 0 HB3 ASP A 94 -10.876 1.070 8.656 1.00 41.52 H new ATOM 1521 N THR A 95 -7.691 -0.372 7.984 1.00 74.23 N ATOM 1522 CA THR A 95 -6.531 0.165 7.256 1.00 72.40 C ATOM 1523 C THR A 95 -5.241 -0.543 7.724 1.00 54.53 C ATOM 1524 O THR A 95 -5.031 -0.701 8.934 1.00 60.20 O ATOM 1525 CB THR A 95 -6.386 1.715 7.489 1.00 25.52 C ATOM 1526 OG1 THR A 95 -7.666 2.361 7.340 1.00 52.51 O ATOM 1527 CG2 THR A 95 -5.385 2.357 6.513 1.00 60.04 C ATOM 0 H THR A 95 -7.472 -0.653 8.940 1.00 74.23 H new ATOM 0 HA THR A 95 -6.687 -0.016 6.193 1.00 72.40 H new ATOM 0 HB THR A 95 -6.009 1.851 8.503 1.00 25.52 H new ATOM 0 HG1 THR A 95 -7.565 3.324 7.488 1.00 52.51 H new ATOM 0 HG21 THR A 95 -5.318 3.427 6.712 1.00 60.04 H new ATOM 0 HG22 THR A 95 -4.404 1.901 6.646 1.00 60.04 H new ATOM 0 HG23 THR A 95 -5.723 2.199 5.489 1.00 60.04 H new ATOM 1535 N VAL A 96 -4.411 -0.997 6.772 1.00 70.11 N ATOM 1536 CA VAL A 96 -3.002 -1.358 7.037 1.00 13.14 C ATOM 1537 C VAL A 96 -2.100 -0.158 6.695 1.00 15.04 C ATOM 1538 O VAL A 96 -2.371 0.575 5.740 1.00 23.12 O ATOM 1539 CB VAL A 96 -2.528 -2.641 6.244 1.00 61.11 C ATOM 1540 CG1 VAL A 96 -3.275 -3.897 6.737 1.00 42.11 C ATOM 1541 CG2 VAL A 96 -2.685 -2.475 4.713 1.00 13.13 C ATOM 0 H VAL A 96 -4.692 -1.125 5.800 1.00 70.11 H new ATOM 0 HA VAL A 96 -2.923 -1.607 8.095 1.00 13.14 H new ATOM 0 HB VAL A 96 -1.464 -2.766 6.446 1.00 61.11 H new ATOM 0 HG11 VAL A 96 -2.933 -4.767 6.177 1.00 42.11 H new ATOM 0 HG12 VAL A 96 -3.075 -4.046 7.798 1.00 42.11 H new ATOM 0 HG13 VAL A 96 -4.346 -3.766 6.585 1.00 42.11 H new ATOM 0 HG21 VAL A 96 -2.346 -3.382 4.212 1.00 13.13 H new ATOM 0 HG22 VAL A 96 -3.733 -2.297 4.472 1.00 13.13 H new ATOM 0 HG23 VAL A 96 -2.086 -1.629 4.375 1.00 13.13 H new ATOM 1551 N THR A 97 -1.052 0.051 7.493 1.00 74.20 N ATOM 1552 CA THR A 97 -0.105 1.159 7.328 1.00 65.42 C ATOM 1553 C THR A 97 1.324 0.645 7.495 1.00 64.25 C ATOM 1554 O THR A 97 1.601 -0.151 8.395 1.00 72.54 O ATOM 1555 CB THR A 97 -0.401 2.294 8.364 1.00 64.13 C ATOM 1556 OG1 THR A 97 -1.692 2.871 8.089 1.00 14.13 O ATOM 1557 CG2 THR A 97 0.663 3.411 8.375 1.00 51.53 C ATOM 0 H THR A 97 -0.832 -0.553 8.285 1.00 74.20 H new ATOM 0 HA THR A 97 -0.219 1.574 6.327 1.00 65.42 H new ATOM 0 HB THR A 97 -0.381 1.829 9.349 1.00 64.13 H new ATOM 0 HG1 THR A 97 -2.298 2.690 8.838 1.00 14.13 H new ATOM 0 HG21 THR A 97 0.393 4.163 9.116 1.00 51.53 H new ATOM 0 HG22 THR A 97 1.635 2.986 8.627 1.00 51.53 H new ATOM 0 HG23 THR A 97 0.714 3.875 7.390 1.00 51.53 H new ATOM 1565 N VAL A 98 2.217 1.089 6.602 1.00 33.25 N ATOM 1566 CA VAL A 98 3.652 0.809 6.673 1.00 5.03 C ATOM 1567 C VAL A 98 4.423 2.136 6.623 1.00 15.11 C ATOM 1568 O VAL A 98 4.180 2.961 5.736 1.00 31.54 O ATOM 1569 CB VAL A 98 4.124 -0.143 5.507 1.00 34.05 C ATOM 1570 CG1 VAL A 98 5.654 -0.314 5.522 1.00 24.25 C ATOM 1571 CG2 VAL A 98 3.411 -1.519 5.580 1.00 25.44 C ATOM 0 H VAL A 98 1.957 1.661 5.799 1.00 33.25 H new ATOM 0 HA VAL A 98 3.857 0.292 7.611 1.00 5.03 H new ATOM 0 HB VAL A 98 3.845 0.325 4.563 1.00 34.05 H new ATOM 0 HG11 VAL A 98 5.954 -0.975 4.709 1.00 24.25 H new ATOM 0 HG12 VAL A 98 6.130 0.658 5.394 1.00 24.25 H new ATOM 0 HG13 VAL A 98 5.962 -0.747 6.474 1.00 24.25 H new ATOM 0 HG21 VAL A 98 3.758 -2.152 4.763 1.00 25.44 H new ATOM 0 HG22 VAL A 98 3.640 -1.997 6.532 1.00 25.44 H new ATOM 0 HG23 VAL A 98 2.334 -1.376 5.496 1.00 25.44 H new ATOM 1581 N GLU A 99 5.312 2.339 7.612 1.00 72.14 N ATOM 1582 CA GLU A 99 6.247 3.469 7.645 1.00 10.33 C ATOM 1583 C GLU A 99 7.503 3.075 8.428 1.00 23.40 C ATOM 1584 O GLU A 99 7.395 2.548 9.542 1.00 22.21 O ATOM 1585 CB GLU A 99 5.605 4.713 8.308 1.00 41.43 C ATOM 1586 CG GLU A 99 6.518 5.961 8.320 1.00 2.34 C ATOM 1587 CD GLU A 99 5.981 7.085 9.212 1.00 23.43 C ATOM 1588 OE1 GLU A 99 5.149 7.888 8.747 1.00 62.40 O ATOM 1589 OE2 GLU A 99 6.384 7.172 10.394 1.00 21.23 O ATOM 0 H GLU A 99 5.399 1.716 8.415 1.00 72.14 H new ATOM 0 HA GLU A 99 6.507 3.721 6.617 1.00 10.33 H new ATOM 0 HB2 GLU A 99 4.682 4.956 7.782 1.00 41.43 H new ATOM 0 HB3 GLU A 99 5.332 4.465 9.334 1.00 41.43 H new ATOM 0 HG2 GLU A 99 7.512 5.674 8.664 1.00 2.34 H new ATOM 0 HG3 GLU A 99 6.629 6.334 7.302 1.00 2.34 H new ATOM 1596 N GLY A 100 8.681 3.367 7.855 1.00 75.30 N ATOM 1597 CA GLY A 100 9.955 3.191 8.545 1.00 54.02 C ATOM 1598 C GLY A 100 10.343 1.729 8.757 1.00 53.03 C ATOM 1599 O GLY A 100 10.214 0.898 7.845 1.00 5.40 O ATOM 0 H GLY A 100 8.770 3.729 6.906 1.00 75.30 H new ATOM 0 HA2 GLY A 100 10.739 3.686 7.973 1.00 54.02 H new ATOM 0 HA3 GLY A 100 9.905 3.688 9.514 1.00 54.02 H new ATOM 1603 N GLN A 101 10.787 1.413 9.979 1.00 51.33 N ATOM 1604 CA GLN A 101 11.347 0.098 10.322 1.00 10.44 C ATOM 1605 C GLN A 101 10.993 -0.249 11.774 1.00 32.10 C ATOM 1606 O GLN A 101 11.079 0.616 12.654 1.00 51.23 O ATOM 1607 CB GLN A 101 12.883 0.125 10.094 1.00 33.12 C ATOM 1608 CG GLN A 101 13.600 -1.210 10.353 1.00 43.50 C ATOM 1609 CD GLN A 101 15.049 -1.236 9.844 1.00 15.31 C ATOM 1610 OE1 GLN A 101 15.403 -0.548 8.882 1.00 23.04 O ATOM 1611 NE2 GLN A 101 15.891 -2.028 10.475 1.00 72.55 N ATOM 0 H GLN A 101 10.768 2.065 10.763 1.00 51.33 H new ATOM 0 HA GLN A 101 10.921 -0.676 9.683 1.00 10.44 H new ATOM 0 HB2 GLN A 101 13.078 0.432 9.066 1.00 33.12 H new ATOM 0 HB3 GLN A 101 13.318 0.886 10.742 1.00 33.12 H new ATOM 0 HG2 GLN A 101 13.596 -1.414 11.424 1.00 43.50 H new ATOM 0 HG3 GLN A 101 13.040 -2.013 9.873 1.00 43.50 H new ATOM 0 HE21 GLN A 101 15.571 -2.585 11.267 1.00 72.55 H new ATOM 0 HE22 GLN A 101 16.863 -2.084 10.172 1.00 72.55 H new ATOM 1620 N LEU A 102 10.552 -1.503 12.007 1.00 64.33 N ATOM 1621 CA LEU A 102 10.127 -1.966 13.333 1.00 42.40 C ATOM 1622 C LEU A 102 11.360 -2.269 14.198 1.00 20.24 C ATOM 1623 O LEU A 102 12.047 -3.274 13.987 1.00 73.02 O ATOM 1624 CB LEU A 102 9.227 -3.225 13.233 1.00 52.25 C ATOM 1625 CG LEU A 102 8.672 -3.766 14.595 1.00 2.22 C ATOM 1626 CD1 LEU A 102 7.599 -2.824 15.172 1.00 60.13 C ATOM 1627 CD2 LEU A 102 8.155 -5.209 14.468 1.00 42.34 C ATOM 0 H LEU A 102 10.483 -2.216 11.281 1.00 64.33 H new ATOM 0 HA LEU A 102 9.541 -1.172 13.797 1.00 42.40 H new ATOM 0 HB2 LEU A 102 8.383 -2.997 12.582 1.00 52.25 H new ATOM 0 HB3 LEU A 102 9.796 -4.020 12.751 1.00 52.25 H new ATOM 0 HG LEU A 102 9.502 -3.789 15.301 1.00 2.22 H new ATOM 0 HD11 LEU A 102 7.233 -3.225 16.117 1.00 60.13 H new ATOM 0 HD12 LEU A 102 8.033 -1.838 15.340 1.00 60.13 H new ATOM 0 HD13 LEU A 102 6.771 -2.741 14.468 1.00 60.13 H new ATOM 0 HD21 LEU A 102 7.779 -5.547 15.434 1.00 42.34 H new ATOM 0 HD22 LEU A 102 7.351 -5.244 13.733 1.00 42.34 H new ATOM 0 HD23 LEU A 102 8.968 -5.860 14.147 1.00 42.34 H new ATOM 1639 N GLU A 103 11.645 -1.366 15.145 1.00 12.53 N ATOM 1640 CA GLU A 103 12.708 -1.555 16.145 1.00 61.02 C ATOM 1641 C GLU A 103 12.326 -2.671 17.147 1.00 75.15 C ATOM 1642 O GLU A 103 13.203 -3.336 17.719 1.00 30.43 O ATOM 1643 CB GLU A 103 12.983 -0.213 16.879 1.00 25.44 C ATOM 1644 CG GLU A 103 11.738 0.410 17.539 1.00 3.14 C ATOM 1645 CD GLU A 103 12.018 1.758 18.219 1.00 70.20 C ATOM 1646 OE1 GLU A 103 12.470 1.770 19.377 1.00 43.24 O ATOM 1647 OE2 GLU A 103 11.775 2.811 17.602 1.00 2.01 O ATOM 0 H GLU A 103 11.145 -0.482 15.241 1.00 12.53 H new ATOM 0 HA GLU A 103 13.621 -1.867 15.638 1.00 61.02 H new ATOM 0 HB2 GLU A 103 13.742 -0.378 17.644 1.00 25.44 H new ATOM 0 HB3 GLU A 103 13.398 0.500 16.167 1.00 25.44 H new ATOM 0 HG2 GLU A 103 10.965 0.547 16.783 1.00 3.14 H new ATOM 0 HG3 GLU A 103 11.341 -0.286 18.278 1.00 3.14 H new ATOM 1654 N GLY A 104 11.002 -2.872 17.331 1.00 52.44 N ATOM 1655 CA GLY A 104 10.464 -3.854 18.277 1.00 21.21 C ATOM 1656 C GLY A 104 10.454 -3.322 19.705 1.00 64.41 C ATOM 1657 O GLY A 104 11.281 -2.475 20.066 1.00 62.24 O ATOM 0 H GLY A 104 10.283 -2.355 16.825 1.00 52.44 H new ATOM 0 HA2 GLY A 104 9.450 -4.123 17.983 1.00 21.21 H new ATOM 0 HA3 GLY A 104 11.061 -4.765 18.233 1.00 21.21 H new ATOM 1661 N VAL A 105 9.505 -3.801 20.519 1.00 72.23 N ATOM 1662 CA VAL A 105 9.380 -3.388 21.931 1.00 71.15 C ATOM 1663 C VAL A 105 10.227 -4.313 22.830 1.00 31.43 C ATOM 1664 O VAL A 105 10.327 -5.522 22.578 1.00 43.32 O ATOM 1665 CB VAL A 105 7.875 -3.357 22.399 1.00 11.34 C ATOM 1666 CG1 VAL A 105 7.063 -2.329 21.569 1.00 61.53 C ATOM 1667 CG2 VAL A 105 7.221 -4.754 22.336 1.00 74.34 C ATOM 0 H VAL A 105 8.804 -4.481 20.224 1.00 72.23 H new ATOM 0 HA VAL A 105 9.760 -2.371 22.022 1.00 71.15 H new ATOM 0 HB VAL A 105 7.866 -3.044 23.443 1.00 11.34 H new ATOM 0 HG11 VAL A 105 6.027 -2.324 21.909 1.00 61.53 H new ATOM 0 HG12 VAL A 105 7.492 -1.336 21.699 1.00 61.53 H new ATOM 0 HG13 VAL A 105 7.098 -2.604 20.515 1.00 61.53 H new ATOM 0 HG21 VAL A 105 6.185 -4.686 22.667 1.00 74.34 H new ATOM 0 HG22 VAL A 105 7.251 -5.124 21.311 1.00 74.34 H new ATOM 0 HG23 VAL A 105 7.765 -5.440 22.985 1.00 74.34 H new ATOM 1677 N ASP A 106 10.878 -3.717 23.838 1.00 24.32 N ATOM 1678 CA ASP A 106 11.719 -4.448 24.798 1.00 71.43 C ATOM 1679 C ASP A 106 10.847 -4.969 25.963 1.00 13.13 C ATOM 1680 O ASP A 106 10.405 -4.160 26.802 1.00 10.01 O ATOM 1681 CB ASP A 106 12.874 -3.541 25.311 1.00 30.53 C ATOM 1682 CG ASP A 106 13.816 -4.269 26.295 1.00 13.21 C ATOM 1683 OD1 ASP A 106 14.629 -5.100 25.838 1.00 24.33 O ATOM 1684 OD2 ASP A 106 13.750 -4.016 27.521 1.00 24.51 O ATOM 1685 OXT ASP A 106 10.592 -6.186 26.030 1.00 38.02 O ATOM 0 H ASP A 106 10.837 -2.713 24.012 1.00 24.32 H new ATOM 0 HA ASP A 106 12.173 -5.305 24.301 1.00 71.43 H new ATOM 0 HB2 ASP A 106 13.453 -3.182 24.460 1.00 30.53 H new ATOM 0 HB3 ASP A 106 12.451 -2.665 25.802 1.00 30.53 H new TER 1690 ASP A 106