USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 785 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 NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 205 ZNZN :(H bumps) USER MOD NoAdj-H: A 120 HIS HE2 : A 120 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD NoAdj-H: A 125 HIS HE2 : A 125 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD Set 1.1: A 137 LYS NZ :NH3+ 171:sc= 0 (180deg=0) USER MOD Set 1.2: A 140 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 99 ASN : amide:sc= 0 X(o=-0.022,f=0.036) USER MOD Set 2.2: A 100 SER OG : rot 180:sc= -0.0221 USER MOD Set 3.1: A 72 CYS SG : rot 131:sc= -1.48! USER MOD Set 3.2: A 75 CYS SG : rot -97:sc= -5.47! USER MOD Set 3.3: A 93 HIS : no HE2:sc= -4.04! C(o=-11!,f=-16!) USER MOD Set 4.1: A 76 THR OG1 : rot 180:sc= 0.0549 USER MOD Set 4.2: A 112 LYS NZ :NH3+ 142:sc= 1.33 (180deg=0.743) USER MOD Set 5.1: A 62 GLN : amide:sc= 0 K(o=0.21,f=-0.4) USER MOD Set 5.2: A 65 LYS NZ :NH3+ 174:sc= 0.207 (180deg=0.195) USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A -2 HIS : no HD1:sc= -1.83! X(o=-1.8!,f=-1.9) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -4 HIS : no HE2:sc= -0.438 K(o=-0.44,f=-3.3!) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=-0.023) USER MOD Single : A -8 MET CE :methyl 167:sc= -0.0288 (180deg=-0.281) USER MOD Single : A -8 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= -0.743! (180deg=-1.22!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.18 K(o=-1.2,f=-4.4!) USER MOD Single : A 79 THR OG1 : rot 160:sc= 0.0353 USER MOD Single : A 83 ASN : amide:sc= -0.961 K(o=-0.96,f=-0.0065) USER MOD Single : A 84 MET CE :methyl -165:sc= -0.0582 (180deg=-0.35) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -100:sc= 1.23 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 101 SER OG : rot 80:sc= -1.1 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot -156:sc= -5.36! USER MOD Single : A 107 CYS SG : rot 46:sc= -5.36! USER MOD Single : A 108 ASN : amide:sc= -1.9! K(o=-1.9!,f=-0.56) USER MOD Single : A 111 THR OG1 : rot 52:sc= 1.18 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 85:sc= 0.00413 USER MOD Single : A 121 ASN : amide:sc= -4.31! C(o=-4.3!,f=-6.9!) USER MOD Single : A 123 LYS NZ :NH3+ -128:sc= 0.422 (180deg=0) USER MOD Single : A 124 TYR OH : rot -149:sc= -1.9! USER MOD Single : A 130 ASN : amide:sc= -3.06! K(o=-3.1!,f=-0.57) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 154:sc= -0.0792 (180deg=-0.905) USER MOD Single : A 139 ASN : amide:sc= -0.0766 X(o=-0.077,f=-0.077) USER MOD Single : A 141 GLN : amide:sc= -1.16 X(o=-1.2,f=-0.68) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.0025 USER MOD Single : A 146 GLN : amide:sc= -0.484 K(o=-0.48,f=-1.5!) USER MOD Single : A 147 THR OG1 : rot -147:sc= -3.29! USER MOD Single : A 149 ASN : amide:sc= -5.26! K(o=-5.3!,f=-0.31) USER MOD Single : A 152 THR OG1 : rot -90:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -8 -12.631 5.411 -37.153 1.00 63.43 N ATOM 2 CA MET A -8 -11.736 5.619 -36.025 1.00 40.44 C ATOM 3 C MET A -8 -11.805 4.447 -35.074 1.00 44.55 C ATOM 4 O MET A -8 -12.894 4.055 -34.646 1.00 4.41 O ATOM 5 CB MET A -8 -12.093 6.924 -35.285 1.00 22.23 C ATOM 6 CG MET A -8 -11.307 7.160 -33.991 1.00 60.32 C ATOM 7 SD MET A -8 -9.514 7.209 -34.230 1.00 32.55 S ATOM 8 CE MET A -8 -9.350 8.649 -35.283 1.00 22.11 C ATOM 0 H1 MET A -8 -12.572 6.225 -37.798 1.00 63.43 H new ATOM 0 H2 MET A -8 -12.354 4.547 -37.661 1.00 63.43 H new ATOM 0 H3 MET A -8 -13.607 5.312 -36.808 1.00 63.43 H new ATOM 0 HA MET A -8 -10.718 5.702 -36.406 1.00 40.44 H new ATOM 0 HB2 MET A -8 -11.922 7.765 -35.957 1.00 22.23 H new ATOM 0 HB3 MET A -8 -13.158 6.914 -35.051 1.00 22.23 H new ATOM 0 HG2 MET A -8 -11.631 8.100 -33.545 1.00 60.32 H new ATOM 0 HG3 MET A -8 -11.549 6.370 -33.280 1.00 60.32 H new ATOM 0 HE1 MET A -8 -8.303 8.948 -35.331 1.00 22.11 H new ATOM 0 HE2 MET A -8 -9.705 8.409 -36.285 1.00 22.11 H new ATOM 0 HE3 MET A -8 -9.942 9.468 -34.875 1.00 22.11 H new ATOM 17 N ALA A -7 -10.657 3.880 -34.778 1.00 74.11 N ATOM 18 CA ALA A -7 -10.535 2.825 -33.809 1.00 14.25 C ATOM 19 C ALA A -7 -9.707 3.353 -32.675 1.00 73.21 C ATOM 20 O ALA A -7 -8.500 3.603 -32.839 1.00 30.44 O ATOM 21 CB ALA A -7 -9.882 1.601 -34.411 1.00 31.02 C ATOM 0 H ALA A -7 -9.773 4.145 -35.212 1.00 74.11 H new ATOM 0 HA ALA A -7 -11.523 2.521 -33.462 1.00 14.25 H new ATOM 0 HB1 ALA A -7 -9.804 0.821 -33.654 1.00 31.02 H new ATOM 0 HB2 ALA A -7 -10.485 1.239 -35.244 1.00 31.02 H new ATOM 0 HB3 ALA A -7 -8.886 1.859 -34.770 1.00 31.02 H new ATOM 27 N HIS A -6 -10.337 3.569 -31.560 1.00 73.22 N ATOM 28 CA HIS A -6 -9.689 4.156 -30.421 1.00 31.54 C ATOM 29 C HIS A -6 -10.589 3.909 -29.234 1.00 4.33 C ATOM 30 O HIS A -6 -11.753 3.528 -29.417 1.00 1.40 O ATOM 31 CB HIS A -6 -9.553 5.683 -30.670 1.00 53.12 C ATOM 32 CG HIS A -6 -8.673 6.423 -29.709 1.00 53.25 C ATOM 33 ND1 HIS A -6 -9.136 7.170 -28.647 1.00 3.15 N ATOM 34 CD2 HIS A -6 -7.331 6.540 -29.690 1.00 43.23 C ATOM 35 CE1 HIS A -6 -8.084 7.703 -28.027 1.00 12.20 C ATOM 36 NE2 HIS A -6 -6.954 7.350 -28.626 1.00 23.05 N ATOM 0 H HIS A -6 -11.320 3.343 -31.412 1.00 73.22 H new ATOM 0 HA HIS A -6 -8.700 3.733 -30.248 1.00 31.54 H new ATOM 0 HB2 HIS A -6 -9.167 5.835 -31.678 1.00 53.12 H new ATOM 0 HB3 HIS A -6 -10.548 6.127 -30.639 1.00 53.12 H new ATOM 0 HD2 HIS A -6 -6.654 6.076 -30.392 1.00 43.23 H new ATOM 0 HE1 HIS A -6 -8.143 8.337 -27.155 1.00 12.20 H new ATOM 0 HE2 HIS A -6 -6.006 7.618 -28.361 1.00 23.05 H new ATOM 44 N HIS A -5 -10.082 4.084 -28.036 1.00 23.34 N ATOM 45 CA HIS A -5 -10.933 4.006 -26.880 1.00 21.42 C ATOM 46 C HIS A -5 -11.670 5.326 -26.787 1.00 21.45 C ATOM 47 O HIS A -5 -11.116 6.333 -26.317 1.00 41.15 O ATOM 48 CB HIS A -5 -10.139 3.718 -25.589 1.00 41.51 C ATOM 49 CG HIS A -5 -9.433 2.390 -25.574 1.00 44.44 C ATOM 50 ND1 HIS A -5 -8.112 2.226 -25.223 1.00 1.01 N ATOM 51 CD2 HIS A -5 -9.899 1.143 -25.845 1.00 5.41 C ATOM 52 CE1 HIS A -5 -7.818 0.929 -25.289 1.00 23.31 C ATOM 53 NE2 HIS A -5 -8.868 0.223 -25.660 1.00 71.52 N ATOM 0 H HIS A -5 -9.100 4.278 -27.841 1.00 23.34 H new ATOM 0 HA HIS A -5 -11.630 3.175 -26.986 1.00 21.42 H new ATOM 0 HB2 HIS A -5 -9.402 4.509 -25.447 1.00 41.51 H new ATOM 0 HB3 HIS A -5 -10.822 3.762 -24.740 1.00 41.51 H new ATOM 0 HD2 HIS A -5 -10.906 0.903 -26.154 1.00 5.41 H new ATOM 0 HE1 HIS A -5 -6.847 0.510 -25.068 1.00 23.31 H new ATOM 0 HE2 HIS A -5 -8.916 -0.788 -25.786 1.00 71.52 H new ATOM 61 N HIS A -4 -12.879 5.341 -27.321 1.00 12.35 N ATOM 62 CA HIS A -4 -13.678 6.557 -27.424 1.00 44.53 C ATOM 63 C HIS A -4 -14.155 7.031 -26.071 1.00 54.30 C ATOM 64 O HIS A -4 -14.403 8.225 -25.871 1.00 1.44 O ATOM 65 CB HIS A -4 -14.859 6.373 -28.391 1.00 14.13 C ATOM 66 CG HIS A -4 -14.449 5.985 -29.789 1.00 61.31 C ATOM 67 ND1 HIS A -4 -15.030 4.964 -30.510 1.00 5.22 N ATOM 68 CD2 HIS A -4 -13.504 6.517 -30.604 1.00 24.03 C ATOM 69 CE1 HIS A -4 -14.437 4.906 -31.701 1.00 43.40 C ATOM 70 NE2 HIS A -4 -13.502 5.831 -31.813 1.00 65.22 N ATOM 0 H HIS A -4 -13.338 4.511 -27.697 1.00 12.35 H new ATOM 0 HA HIS A -4 -13.029 7.332 -27.832 1.00 44.53 H new ATOM 0 HB2 HIS A -4 -15.526 5.608 -27.993 1.00 14.13 H new ATOM 0 HB3 HIS A -4 -15.428 7.301 -28.434 1.00 14.13 H new ATOM 0 HD1 HIS A -4 -15.784 4.358 -30.187 1.00 5.22 H new ATOM 0 HD2 HIS A -4 -12.855 7.343 -30.353 1.00 24.03 H new ATOM 0 HE1 HIS A -4 -14.688 4.195 -32.474 1.00 43.40 H new ATOM 78 N HIS A -3 -14.286 6.115 -25.145 1.00 41.20 N ATOM 79 CA HIS A -3 -14.677 6.479 -23.800 1.00 73.34 C ATOM 80 C HIS A -3 -13.427 6.706 -22.993 1.00 10.43 C ATOM 81 O HIS A -3 -13.323 7.687 -22.266 1.00 65.23 O ATOM 82 CB HIS A -3 -15.536 5.390 -23.138 1.00 14.21 C ATOM 83 CG HIS A -3 -16.775 5.032 -23.899 1.00 71.10 C ATOM 84 ND1 HIS A -3 -17.982 5.670 -23.758 1.00 64.44 N ATOM 85 CD2 HIS A -3 -16.972 4.068 -24.822 1.00 10.33 C ATOM 86 CE1 HIS A -3 -18.856 5.087 -24.576 1.00 51.12 C ATOM 87 NE2 HIS A -3 -18.288 4.103 -25.249 1.00 0.53 N ATOM 0 H HIS A -3 -14.130 5.118 -25.292 1.00 41.20 H new ATOM 0 HA HIS A -3 -15.283 7.384 -23.842 1.00 73.34 H new ATOM 0 HB2 HIS A -3 -14.930 4.493 -23.012 1.00 14.21 H new ATOM 0 HB3 HIS A -3 -15.821 5.725 -22.141 1.00 14.21 H new ATOM 0 HD2 HIS A -3 -16.220 3.377 -25.173 1.00 10.33 H new ATOM 0 HE1 HIS A -3 -19.891 5.380 -24.676 1.00 51.12 H new ATOM 0 HE2 HIS A -3 -18.728 3.495 -25.940 1.00 0.53 H new ATOM 95 N HIS A -2 -12.470 5.791 -23.173 1.00 4.33 N ATOM 96 CA HIS A -2 -11.178 5.813 -22.505 1.00 24.11 C ATOM 97 C HIS A -2 -11.350 5.634 -20.995 1.00 20.44 C ATOM 98 O HIS A -2 -11.331 6.584 -20.221 1.00 40.24 O ATOM 99 CB HIS A -2 -10.361 7.081 -22.874 1.00 42.52 C ATOM 100 CG HIS A -2 -8.979 7.168 -22.280 1.00 64.13 C ATOM 101 ND1 HIS A -2 -8.643 8.032 -21.266 1.00 41.34 N ATOM 102 CD2 HIS A -2 -7.835 6.519 -22.611 1.00 42.10 C ATOM 103 CE1 HIS A -2 -7.344 7.900 -21.012 1.00 13.31 C ATOM 104 NE2 HIS A -2 -6.795 6.987 -21.803 1.00 45.14 N ATOM 0 H HIS A -2 -12.581 4.997 -23.804 1.00 4.33 H new ATOM 0 HA HIS A -2 -10.592 4.967 -22.863 1.00 24.11 H new ATOM 0 HB2 HIS A -2 -10.273 7.130 -23.959 1.00 42.52 H new ATOM 0 HB3 HIS A -2 -10.927 7.958 -22.560 1.00 42.52 H new ATOM 0 HD2 HIS A -2 -7.743 5.762 -23.376 1.00 42.10 H new ATOM 0 HE1 HIS A -2 -6.807 8.461 -20.262 1.00 13.31 H new ATOM 0 HE2 HIS A -2 -5.819 6.689 -21.818 1.00 45.14 H new ATOM 112 N HIS A -1 -11.551 4.398 -20.599 1.00 5.14 N ATOM 113 CA HIS A -1 -11.786 4.033 -19.206 1.00 65.34 C ATOM 114 C HIS A -1 -10.484 3.833 -18.453 1.00 45.54 C ATOM 115 O HIS A -1 -10.436 3.130 -17.438 1.00 64.32 O ATOM 116 CB HIS A -1 -12.648 2.770 -19.113 1.00 1.22 C ATOM 117 CG HIS A -1 -14.064 2.959 -19.553 1.00 13.31 C ATOM 118 ND1 HIS A -1 -14.652 2.276 -20.592 1.00 0.05 N ATOM 119 CD2 HIS A -1 -15.028 3.747 -19.035 1.00 34.24 C ATOM 120 CE1 HIS A -1 -15.922 2.658 -20.671 1.00 63.14 C ATOM 121 NE2 HIS A -1 -16.208 3.552 -19.744 1.00 63.50 N ATOM 0 H HIS A -1 -11.557 3.602 -21.237 1.00 5.14 H new ATOM 0 HA HIS A -1 -12.321 4.860 -18.740 1.00 65.34 H new ATOM 0 HB2 HIS A -1 -12.192 1.988 -19.720 1.00 1.22 H new ATOM 0 HB3 HIS A -1 -12.644 2.416 -18.082 1.00 1.22 H new ATOM 0 HD2 HIS A -1 -14.903 4.422 -18.202 1.00 34.24 H new ATOM 0 HE1 HIS A -1 -16.628 2.285 -21.399 1.00 63.14 H new ATOM 0 HE2 HIS A -1 -17.107 4.005 -19.581 1.00 63.50 H new ATOM 129 N ASN A 60 -9.444 4.445 -18.946 1.00 33.43 N ATOM 130 CA ASN A 60 -8.166 4.439 -18.285 1.00 51.23 C ATOM 131 C ASN A 60 -8.242 5.372 -17.105 1.00 64.23 C ATOM 132 O ASN A 60 -8.303 6.600 -17.266 1.00 11.41 O ATOM 133 CB ASN A 60 -7.065 4.888 -19.233 1.00 5.33 C ATOM 134 CG ASN A 60 -5.713 5.046 -18.556 1.00 63.50 C ATOM 135 OD1 ASN A 60 -5.370 4.318 -17.615 1.00 43.41 O ATOM 136 ND2 ASN A 60 -4.954 6.022 -18.996 1.00 51.24 N ATOM 0 H ASN A 60 -9.458 4.966 -19.823 1.00 33.43 H new ATOM 0 HA ASN A 60 -7.930 3.427 -17.955 1.00 51.23 H new ATOM 0 HB2 ASN A 60 -6.975 4.164 -20.043 1.00 5.33 H new ATOM 0 HB3 ASN A 60 -7.350 5.838 -19.685 1.00 5.33 H new ATOM 0 HD21 ASN A 60 -4.049 6.201 -18.560 1.00 51.24 H new ATOM 0 HD22 ASN A 60 -5.269 6.602 -19.774 1.00 51.24 H new ATOM 143 N GLN A 61 -8.287 4.804 -15.940 1.00 55.25 N ATOM 144 CA GLN A 61 -8.413 5.559 -14.736 1.00 13.33 C ATOM 145 C GLN A 61 -7.382 5.080 -13.755 1.00 73.45 C ATOM 146 O GLN A 61 -6.803 4.002 -13.926 1.00 30.14 O ATOM 147 CB GLN A 61 -9.814 5.359 -14.124 1.00 42.14 C ATOM 148 CG GLN A 61 -10.968 5.676 -15.059 1.00 1.43 C ATOM 149 CD GLN A 61 -12.325 5.490 -14.416 1.00 24.45 C ATOM 150 OE1 GLN A 61 -12.510 4.666 -13.526 1.00 24.24 O ATOM 151 NE2 GLN A 61 -13.280 6.243 -14.868 1.00 64.33 N ATOM 0 H GLN A 61 -8.237 3.795 -15.799 1.00 55.25 H new ATOM 0 HA GLN A 61 -8.268 6.616 -14.959 1.00 13.33 H new ATOM 0 HB2 GLN A 61 -9.906 4.325 -13.793 1.00 42.14 H new ATOM 0 HB3 GLN A 61 -9.901 5.986 -13.237 1.00 42.14 H new ATOM 0 HG2 GLN A 61 -10.875 6.706 -15.404 1.00 1.43 H new ATOM 0 HG3 GLN A 61 -10.900 5.037 -15.939 1.00 1.43 H new ATOM 0 HE21 GLN A 61 -13.090 6.918 -15.609 1.00 64.33 H new ATOM 0 HE22 GLN A 61 -14.221 6.160 -14.482 1.00 64.33 H new ATOM 160 N GLN A 62 -7.154 5.855 -12.742 1.00 10.41 N ATOM 161 CA GLN A 62 -6.280 5.468 -11.658 1.00 2.23 C ATOM 162 C GLN A 62 -7.145 5.043 -10.487 1.00 55.54 C ATOM 163 O GLN A 62 -6.647 4.787 -9.386 1.00 31.11 O ATOM 164 CB GLN A 62 -5.381 6.635 -11.233 1.00 41.13 C ATOM 165 CG GLN A 62 -4.410 7.110 -12.303 1.00 74.45 C ATOM 166 CD GLN A 62 -3.542 8.264 -11.834 1.00 52.03 C ATOM 167 OE1 GLN A 62 -3.953 9.082 -11.013 1.00 31.00 O ATOM 168 NE2 GLN A 62 -2.337 8.329 -12.318 1.00 73.21 N ATOM 0 H GLN A 62 -7.567 6.781 -12.635 1.00 10.41 H new ATOM 0 HA GLN A 62 -5.637 4.651 -11.985 1.00 2.23 H new ATOM 0 HB2 GLN A 62 -6.012 7.473 -10.936 1.00 41.13 H new ATOM 0 HB3 GLN A 62 -4.813 6.336 -10.352 1.00 41.13 H new ATOM 0 HG2 GLN A 62 -3.772 6.279 -12.604 1.00 74.45 H new ATOM 0 HG3 GLN A 62 -4.970 7.417 -13.186 1.00 74.45 H new ATOM 0 HE21 GLN A 62 -2.022 7.637 -12.998 1.00 73.21 H new ATOM 0 HE22 GLN A 62 -1.706 9.072 -12.018 1.00 73.21 H new ATOM 177 N ASN A 63 -8.462 4.972 -10.753 1.00 72.43 N ATOM 178 CA ASN A 63 -9.472 4.636 -9.753 1.00 74.52 C ATOM 179 C ASN A 63 -9.511 5.731 -8.700 1.00 63.41 C ATOM 180 O ASN A 63 -9.247 6.896 -9.030 1.00 71.24 O ATOM 181 CB ASN A 63 -9.239 3.228 -9.163 1.00 63.22 C ATOM 182 CG ASN A 63 -9.652 2.120 -10.122 1.00 25.14 C ATOM 183 OD1 ASN A 63 -8.861 1.662 -10.954 1.00 32.31 O ATOM 184 ND2 ASN A 63 -10.883 1.674 -10.015 1.00 2.54 N ATOM 0 H ASN A 63 -8.851 5.149 -11.679 1.00 72.43 H new ATOM 0 HA ASN A 63 -10.455 4.589 -10.222 1.00 74.52 H new ATOM 0 HB2 ASN A 63 -8.185 3.113 -8.912 1.00 63.22 H new ATOM 0 HB3 ASN A 63 -9.801 3.129 -8.234 1.00 63.22 H new ATOM 0 HD21 ASN A 63 -11.210 0.928 -10.629 1.00 2.54 H new ATOM 0 HD22 ASN A 63 -11.511 2.073 -9.318 1.00 2.54 H new ATOM 191 N LYS A 64 -9.856 5.415 -7.463 1.00 71.33 N ATOM 192 CA LYS A 64 -9.892 6.437 -6.410 1.00 42.45 C ATOM 193 C LYS A 64 -8.472 6.902 -6.014 1.00 32.24 C ATOM 194 O LYS A 64 -8.323 7.816 -5.198 1.00 13.12 O ATOM 195 CB LYS A 64 -10.665 5.952 -5.175 1.00 72.44 C ATOM 196 CG LYS A 64 -10.025 4.776 -4.439 1.00 54.41 C ATOM 197 CD LYS A 64 -10.797 4.364 -3.173 1.00 11.24 C ATOM 198 CE LYS A 64 -10.542 5.279 -1.956 1.00 13.34 C ATOM 199 NZ LYS A 64 -11.076 6.653 -2.089 1.00 2.32 N ATOM 0 H LYS A 64 -10.113 4.476 -7.158 1.00 71.33 H new ATOM 0 HA LYS A 64 -10.422 7.295 -6.824 1.00 42.45 H new ATOM 0 HB2 LYS A 64 -10.769 6.784 -4.479 1.00 72.44 H new ATOM 0 HB3 LYS A 64 -11.671 5.666 -5.483 1.00 72.44 H new ATOM 0 HG2 LYS A 64 -9.964 3.922 -5.114 1.00 54.41 H new ATOM 0 HG3 LYS A 64 -9.003 5.039 -4.165 1.00 54.41 H new ATOM 0 HD2 LYS A 64 -11.864 4.362 -3.395 1.00 11.24 H new ATOM 0 HD3 LYS A 64 -10.524 3.342 -2.910 1.00 11.24 H new ATOM 0 HE2 LYS A 64 -10.983 4.817 -1.073 1.00 13.34 H new ATOM 0 HE3 LYS A 64 -9.468 5.337 -1.782 1.00 13.34 H new ATOM 0 HZ1 LYS A 64 -11.027 7.135 -1.169 1.00 2.32 H new ATOM 0 HZ2 LYS A 64 -10.511 7.179 -2.786 1.00 2.32 H new ATOM 0 HZ3 LYS A 64 -12.066 6.612 -2.406 1.00 2.32 H new ATOM 213 N LYS A 65 -7.454 6.250 -6.604 1.00 21.44 N ATOM 214 CA LYS A 65 -6.040 6.526 -6.356 1.00 24.33 C ATOM 215 C LYS A 65 -5.678 6.179 -4.910 1.00 50.24 C ATOM 216 O LYS A 65 -6.412 5.450 -4.228 1.00 50.12 O ATOM 217 CB LYS A 65 -5.679 8.001 -6.694 1.00 2.40 C ATOM 218 CG LYS A 65 -4.579 8.170 -7.751 1.00 4.21 C ATOM 219 CD LYS A 65 -3.269 7.515 -7.315 1.00 11.40 C ATOM 220 CE LYS A 65 -2.172 7.660 -8.356 1.00 63.54 C ATOM 221 NZ LYS A 65 -1.738 9.067 -8.535 1.00 72.14 N ATOM 0 H LYS A 65 -7.602 5.501 -7.280 1.00 21.44 H new ATOM 0 HA LYS A 65 -5.448 5.894 -7.018 1.00 24.33 H new ATOM 0 HB2 LYS A 65 -6.578 8.510 -7.042 1.00 2.40 H new ATOM 0 HB3 LYS A 65 -5.363 8.502 -5.779 1.00 2.40 H new ATOM 0 HG2 LYS A 65 -4.909 7.731 -8.693 1.00 4.21 H new ATOM 0 HG3 LYS A 65 -4.411 9.231 -7.935 1.00 4.21 H new ATOM 0 HD2 LYS A 65 -2.937 7.962 -6.378 1.00 11.40 H new ATOM 0 HD3 LYS A 65 -3.443 6.457 -7.120 1.00 11.40 H new ATOM 0 HE2 LYS A 65 -1.315 7.054 -8.062 1.00 63.54 H new ATOM 0 HE3 LYS A 65 -2.527 7.269 -9.310 1.00 63.54 H new ATOM 0 HZ1 LYS A 65 -0.922 9.099 -9.179 1.00 72.14 H new ATOM 0 HZ2 LYS A 65 -2.519 9.623 -8.938 1.00 72.14 H new ATOM 0 HZ3 LYS A 65 -1.468 9.467 -7.614 1.00 72.14 H new ATOM 235 N VAL A 66 -4.548 6.646 -4.472 1.00 11.24 N ATOM 236 CA VAL A 66 -4.124 6.428 -3.150 1.00 70.51 C ATOM 237 C VAL A 66 -4.250 7.785 -2.433 1.00 3.43 C ATOM 238 O VAL A 66 -3.767 8.812 -2.932 1.00 23.01 O ATOM 239 CB VAL A 66 -2.663 5.848 -3.125 1.00 14.13 C ATOM 240 CG1 VAL A 66 -1.595 6.897 -3.357 1.00 4.01 C ATOM 241 CG2 VAL A 66 -2.413 5.033 -1.880 1.00 74.02 C ATOM 0 H VAL A 66 -3.899 7.192 -5.039 1.00 11.24 H new ATOM 0 HA VAL A 66 -4.733 5.683 -2.638 1.00 70.51 H new ATOM 0 HB VAL A 66 -2.587 5.172 -3.976 1.00 14.13 H new ATOM 0 HG11 VAL A 66 -0.612 6.428 -3.327 1.00 4.01 H new ATOM 0 HG12 VAL A 66 -1.746 7.361 -4.332 1.00 4.01 H new ATOM 0 HG13 VAL A 66 -1.658 7.658 -2.580 1.00 4.01 H new ATOM 0 HG21 VAL A 66 -1.394 4.648 -1.896 1.00 74.02 H new ATOM 0 HG22 VAL A 66 -2.549 5.662 -1.000 1.00 74.02 H new ATOM 0 HG23 VAL A 66 -3.115 4.200 -1.843 1.00 74.02 H new ATOM 251 N GLU A 67 -4.977 7.828 -1.346 1.00 13.34 N ATOM 252 CA GLU A 67 -5.219 9.105 -0.704 1.00 12.44 C ATOM 253 C GLU A 67 -4.182 9.430 0.339 1.00 62.33 C ATOM 254 O GLU A 67 -3.188 10.076 0.042 1.00 21.24 O ATOM 255 CB GLU A 67 -6.605 9.164 -0.123 1.00 22.13 C ATOM 256 CG GLU A 67 -7.671 8.882 -1.129 1.00 53.00 C ATOM 257 CD GLU A 67 -9.046 9.019 -0.541 1.00 2.22 C ATOM 258 OE1 GLU A 67 -9.512 10.157 -0.355 1.00 32.43 O ATOM 259 OE2 GLU A 67 -9.684 7.995 -0.246 1.00 22.12 O ATOM 0 H GLU A 67 -5.404 7.020 -0.893 1.00 13.34 H new ATOM 0 HA GLU A 67 -5.138 9.868 -1.479 1.00 12.44 H new ATOM 0 HB2 GLU A 67 -6.682 8.444 0.692 1.00 22.13 H new ATOM 0 HB3 GLU A 67 -6.771 10.152 0.307 1.00 22.13 H new ATOM 0 HG2 GLU A 67 -7.566 9.567 -1.971 1.00 53.00 H new ATOM 0 HG3 GLU A 67 -7.543 7.873 -1.521 1.00 53.00 H new ATOM 266 N GLY A 68 -4.392 8.967 1.549 1.00 71.13 N ATOM 267 CA GLY A 68 -3.439 9.233 2.578 1.00 4.42 C ATOM 268 C GLY A 68 -3.292 8.099 3.518 1.00 45.24 C ATOM 269 O GLY A 68 -2.781 8.250 4.614 1.00 44.51 O ATOM 0 H GLY A 68 -5.201 8.415 1.833 1.00 71.13 H new ATOM 0 HA2 GLY A 68 -2.472 9.454 2.126 1.00 4.42 H new ATOM 0 HA3 GLY A 68 -3.743 10.122 3.130 1.00 4.42 H new ATOM 273 N GLY A 69 -3.752 6.967 3.109 1.00 5.55 N ATOM 274 CA GLY A 69 -3.599 5.813 3.927 1.00 24.23 C ATOM 275 C GLY A 69 -2.941 4.685 3.213 1.00 0.13 C ATOM 276 O GLY A 69 -2.305 4.871 2.189 1.00 13.43 O ATOM 0 H GLY A 69 -4.233 6.815 2.222 1.00 5.55 H new ATOM 0 HA2 GLY A 69 -3.011 6.072 4.807 1.00 24.23 H new ATOM 0 HA3 GLY A 69 -4.578 5.491 4.281 1.00 24.23 H new ATOM 280 N TYR A 70 -3.134 3.512 3.704 1.00 73.12 N ATOM 281 CA TYR A 70 -2.530 2.353 3.128 1.00 32.33 C ATOM 282 C TYR A 70 -3.557 1.573 2.413 1.00 33.21 C ATOM 283 O TYR A 70 -4.542 1.127 3.006 1.00 33.21 O ATOM 284 CB TYR A 70 -1.856 1.517 4.204 1.00 52.42 C ATOM 285 CG TYR A 70 -1.014 2.340 5.141 1.00 34.42 C ATOM 286 CD1 TYR A 70 0.063 3.080 4.680 1.00 72.31 C ATOM 287 CD2 TYR A 70 -1.324 2.396 6.485 1.00 54.21 C ATOM 288 CE1 TYR A 70 0.803 3.859 5.537 1.00 41.35 C ATOM 289 CE2 TYR A 70 -0.594 3.160 7.347 1.00 0.14 C ATOM 290 CZ TYR A 70 0.475 3.897 6.870 1.00 14.31 C ATOM 291 OH TYR A 70 1.207 4.684 7.730 1.00 45.44 O ATOM 0 H TYR A 70 -3.717 3.324 4.520 1.00 73.12 H new ATOM 0 HA TYR A 70 -1.762 2.657 2.417 1.00 32.33 H new ATOM 0 HB2 TYR A 70 -2.618 0.988 4.777 1.00 52.42 H new ATOM 0 HB3 TYR A 70 -1.230 0.760 3.731 1.00 52.42 H new ATOM 0 HD1 TYR A 70 0.325 3.044 3.633 1.00 72.31 H new ATOM 0 HD2 TYR A 70 -2.160 1.824 6.861 1.00 54.21 H new ATOM 0 HE1 TYR A 70 1.636 4.437 5.165 1.00 41.35 H new ATOM 0 HE2 TYR A 70 -0.849 3.189 8.396 1.00 0.14 H new ATOM 0 HH TYR A 70 0.846 4.600 8.637 1.00 45.44 H new ATOM 301 N GLU A 71 -3.377 1.499 1.137 1.00 10.03 N ATOM 302 CA GLU A 71 -4.210 0.727 0.288 1.00 23.45 C ATOM 303 C GLU A 71 -3.564 -0.615 0.153 1.00 42.42 C ATOM 304 O GLU A 71 -2.362 -0.694 0.020 1.00 4.44 O ATOM 305 CB GLU A 71 -4.302 1.351 -1.101 1.00 33.33 C ATOM 306 CG GLU A 71 -5.098 0.501 -2.079 1.00 3.24 C ATOM 307 CD GLU A 71 -4.807 0.834 -3.500 1.00 40.20 C ATOM 308 OE1 GLU A 71 -3.645 0.649 -3.941 1.00 31.35 O ATOM 309 OE2 GLU A 71 -5.741 1.253 -4.238 1.00 42.52 O ATOM 0 H GLU A 71 -2.627 1.987 0.647 1.00 10.03 H new ATOM 0 HA GLU A 71 -5.214 0.668 0.709 1.00 23.45 H new ATOM 0 HB2 GLU A 71 -4.765 2.335 -1.022 1.00 33.33 H new ATOM 0 HB3 GLU A 71 -3.296 1.502 -1.493 1.00 33.33 H new ATOM 0 HG2 GLU A 71 -4.875 -0.551 -1.904 1.00 3.24 H new ATOM 0 HG3 GLU A 71 -6.163 0.637 -1.889 1.00 3.24 H new ATOM 316 N CYS A 72 -4.338 -1.629 0.239 1.00 5.33 N ATOM 317 CA CYS A 72 -3.848 -2.964 0.012 1.00 1.24 C ATOM 318 C CYS A 72 -3.739 -3.280 -1.489 1.00 52.24 C ATOM 319 O CYS A 72 -4.511 -2.806 -2.318 1.00 32.54 O ATOM 320 CB CYS A 72 -4.777 -4.004 0.610 1.00 72.41 C ATOM 321 SG CYS A 72 -5.103 -3.907 2.408 1.00 34.23 S ATOM 0 H CYS A 72 -5.331 -1.574 0.468 1.00 5.33 H new ATOM 0 HA CYS A 72 -2.867 -3.004 0.484 1.00 1.24 H new ATOM 0 HB2 CYS A 72 -5.733 -3.940 0.090 1.00 72.41 H new ATOM 0 HB3 CYS A 72 -4.363 -4.989 0.395 1.00 72.41 H new ATOM 0 HG CYS A 72 -6.384 -3.967 2.621 1.00 34.23 H new ATOM 326 N LYS A 73 -2.796 -4.124 -1.800 1.00 11.35 N ATOM 327 CA LYS A 73 -2.627 -4.690 -3.122 1.00 51.34 C ATOM 328 C LYS A 73 -3.804 -5.638 -3.443 1.00 15.54 C ATOM 329 O LYS A 73 -4.118 -5.912 -4.599 1.00 10.11 O ATOM 330 CB LYS A 73 -1.271 -5.455 -3.150 1.00 35.40 C ATOM 331 CG LYS A 73 -1.055 -6.384 -4.335 1.00 42.11 C ATOM 332 CD LYS A 73 -1.095 -5.644 -5.643 1.00 4.10 C ATOM 333 CE LYS A 73 -1.157 -6.609 -6.806 1.00 73.20 C ATOM 334 NZ LYS A 73 -1.298 -5.915 -8.097 1.00 35.41 N ATOM 0 H LYS A 73 -2.102 -4.450 -1.128 1.00 11.35 H new ATOM 0 HA LYS A 73 -2.619 -3.905 -3.878 1.00 51.34 H new ATOM 0 HB2 LYS A 73 -0.463 -4.723 -3.135 1.00 35.40 H new ATOM 0 HB3 LYS A 73 -1.188 -6.041 -2.234 1.00 35.40 H new ATOM 0 HG2 LYS A 73 -0.093 -6.886 -4.232 1.00 42.11 H new ATOM 0 HG3 LYS A 73 -1.821 -7.159 -4.333 1.00 42.11 H new ATOM 0 HD2 LYS A 73 -1.962 -4.984 -5.666 1.00 4.10 H new ATOM 0 HD3 LYS A 73 -0.211 -5.013 -5.736 1.00 4.10 H new ATOM 0 HE2 LYS A 73 -0.253 -7.218 -6.819 1.00 73.20 H new ATOM 0 HE3 LYS A 73 -1.997 -7.289 -6.667 1.00 73.20 H new ATOM 0 HZ1 LYS A 73 -1.336 -6.615 -8.865 1.00 35.41 H new ATOM 0 HZ2 LYS A 73 -2.174 -5.354 -8.096 1.00 35.41 H new ATOM 0 HZ3 LYS A 73 -0.484 -5.285 -8.243 1.00 35.41 H new ATOM 348 N TYR A 74 -4.472 -6.079 -2.404 1.00 34.43 N ATOM 349 CA TYR A 74 -5.499 -7.077 -2.525 1.00 60.14 C ATOM 350 C TYR A 74 -6.881 -6.587 -2.062 1.00 52.22 C ATOM 351 O TYR A 74 -7.802 -7.387 -1.912 1.00 4.10 O ATOM 352 CB TYR A 74 -5.064 -8.393 -1.821 1.00 52.25 C ATOM 353 CG TYR A 74 -3.834 -8.264 -0.908 1.00 53.11 C ATOM 354 CD1 TYR A 74 -2.545 -8.378 -1.423 1.00 63.34 C ATOM 355 CD2 TYR A 74 -3.965 -8.034 0.443 1.00 32.42 C ATOM 356 CE1 TYR A 74 -1.431 -8.264 -0.605 1.00 73.11 C ATOM 357 CE2 TYR A 74 -2.857 -7.920 1.272 1.00 65.53 C ATOM 358 CZ TYR A 74 -1.594 -8.037 0.745 1.00 40.31 C ATOM 359 OH TYR A 74 -0.487 -7.927 1.571 1.00 11.22 O ATOM 0 H TYR A 74 -4.316 -5.753 -1.450 1.00 34.43 H new ATOM 0 HA TYR A 74 -5.620 -7.288 -3.587 1.00 60.14 H new ATOM 0 HB2 TYR A 74 -5.900 -8.764 -1.229 1.00 52.25 H new ATOM 0 HB3 TYR A 74 -4.855 -9.144 -2.583 1.00 52.25 H new ATOM 0 HD1 TYR A 74 -2.410 -8.559 -2.479 1.00 63.34 H new ATOM 0 HD2 TYR A 74 -4.953 -7.940 0.868 1.00 32.42 H new ATOM 0 HE1 TYR A 74 -0.440 -8.353 -1.024 1.00 73.11 H new ATOM 0 HE2 TYR A 74 -2.988 -7.740 2.329 1.00 65.53 H new ATOM 0 HH TYR A 74 -0.781 -7.767 2.492 1.00 11.22 H new ATOM 369 N CYS A 75 -7.029 -5.271 -1.853 1.00 73.54 N ATOM 370 CA CYS A 75 -8.327 -4.683 -1.541 1.00 32.22 C ATOM 371 C CYS A 75 -8.246 -3.173 -1.685 1.00 74.03 C ATOM 372 O CYS A 75 -7.195 -2.594 -1.469 1.00 74.42 O ATOM 373 CB CYS A 75 -8.832 -5.079 -0.127 1.00 15.24 C ATOM 374 SG CYS A 75 -7.923 -4.371 1.323 1.00 73.01 S ATOM 0 H CYS A 75 -6.263 -4.599 -1.896 1.00 73.54 H new ATOM 0 HA CYS A 75 -9.055 -5.079 -2.250 1.00 32.22 H new ATOM 0 HB2 CYS A 75 -9.878 -4.784 -0.047 1.00 15.24 H new ATOM 0 HB3 CYS A 75 -8.800 -6.166 -0.048 1.00 15.24 H new ATOM 0 HG CYS A 75 -7.058 -5.238 1.758 1.00 73.01 H new ATOM 379 N THR A 76 -9.339 -2.545 -2.049 1.00 3.51 N ATOM 380 CA THR A 76 -9.378 -1.100 -2.193 1.00 73.54 C ATOM 381 C THR A 76 -9.720 -0.442 -0.821 1.00 43.40 C ATOM 382 O THR A 76 -9.856 0.782 -0.692 1.00 14.44 O ATOM 383 CB THR A 76 -10.392 -0.691 -3.322 1.00 23.41 C ATOM 384 OG1 THR A 76 -10.053 -1.396 -4.540 1.00 71.43 O ATOM 385 CG2 THR A 76 -10.329 0.800 -3.620 1.00 34.42 C ATOM 0 H THR A 76 -10.222 -3.012 -2.253 1.00 3.51 H new ATOM 0 HA THR A 76 -8.398 -0.734 -2.498 1.00 73.54 H new ATOM 0 HB THR A 76 -11.394 -0.944 -2.975 1.00 23.41 H new ATOM 0 HG1 THR A 76 -10.683 -1.147 -5.248 1.00 71.43 H new ATOM 0 HG21 THR A 76 -11.044 1.045 -4.406 1.00 34.42 H new ATOM 0 HG22 THR A 76 -10.574 1.362 -2.719 1.00 34.42 H new ATOM 0 HG23 THR A 76 -9.324 1.063 -3.950 1.00 34.42 H new ATOM 393 N PHE A 77 -9.845 -1.276 0.202 1.00 14.31 N ATOM 394 CA PHE A 77 -10.052 -0.789 1.550 1.00 42.35 C ATOM 395 C PHE A 77 -8.755 -0.207 2.069 1.00 21.12 C ATOM 396 O PHE A 77 -7.800 -0.944 2.382 1.00 44.34 O ATOM 397 CB PHE A 77 -10.557 -1.890 2.493 1.00 0.20 C ATOM 398 CG PHE A 77 -11.924 -2.413 2.159 1.00 71.52 C ATOM 399 CD1 PHE A 77 -13.043 -1.614 2.328 1.00 14.21 C ATOM 400 CD2 PHE A 77 -12.095 -3.700 1.676 1.00 64.41 C ATOM 401 CE1 PHE A 77 -14.303 -2.086 2.023 1.00 73.00 C ATOM 402 CE2 PHE A 77 -13.356 -4.179 1.371 1.00 63.23 C ATOM 403 CZ PHE A 77 -14.460 -3.370 1.544 1.00 55.33 C ATOM 0 H PHE A 77 -9.806 -2.292 0.120 1.00 14.31 H new ATOM 0 HA PHE A 77 -10.824 -0.020 1.520 1.00 42.35 H new ATOM 0 HB2 PHE A 77 -9.850 -2.719 2.476 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -10.568 -1.502 3.512 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -12.927 -0.608 2.704 1.00 14.21 H new ATOM 0 HD2 PHE A 77 -11.234 -4.337 1.536 1.00 64.41 H new ATOM 0 HE1 PHE A 77 -15.166 -1.451 2.159 1.00 73.00 H new ATOM 0 HE2 PHE A 77 -13.476 -5.185 0.998 1.00 63.23 H new ATOM 0 HZ PHE A 77 -15.446 -3.741 1.305 1.00 55.33 H new ATOM 413 N GLN A 78 -8.716 1.098 2.126 1.00 51.55 N ATOM 414 CA GLN A 78 -7.559 1.826 2.540 1.00 42.00 C ATOM 415 C GLN A 78 -7.770 2.463 3.892 1.00 22.11 C ATOM 416 O GLN A 78 -8.845 2.986 4.188 1.00 1.43 O ATOM 417 CB GLN A 78 -7.185 2.892 1.487 1.00 40.33 C ATOM 418 CG GLN A 78 -6.290 3.989 2.026 1.00 62.30 C ATOM 419 CD GLN A 78 -5.774 4.951 0.995 1.00 22.53 C ATOM 420 OE1 GLN A 78 -6.407 5.935 0.656 1.00 73.23 O ATOM 421 NE2 GLN A 78 -4.578 4.738 0.601 1.00 64.30 N ATOM 0 H GLN A 78 -9.508 1.692 1.879 1.00 51.55 H new ATOM 0 HA GLN A 78 -6.732 1.122 2.629 1.00 42.00 H new ATOM 0 HB2 GLN A 78 -6.684 2.404 0.650 1.00 40.33 H new ATOM 0 HB3 GLN A 78 -8.098 3.339 1.095 1.00 40.33 H new ATOM 0 HG2 GLN A 78 -6.842 4.550 2.780 1.00 62.30 H new ATOM 0 HG3 GLN A 78 -5.440 3.529 2.530 1.00 62.30 H new ATOM 0 HE21 GLN A 78 -4.081 3.901 0.908 1.00 64.30 H new ATOM 0 HE22 GLN A 78 -4.119 5.404 -0.020 1.00 64.30 H new ATOM 430 N THR A 79 -6.751 2.421 4.695 1.00 41.01 N ATOM 431 CA THR A 79 -6.776 3.026 5.982 1.00 22.40 C ATOM 432 C THR A 79 -5.386 3.560 6.321 1.00 42.14 C ATOM 433 O THR A 79 -4.390 2.889 6.094 1.00 22.22 O ATOM 434 CB THR A 79 -7.284 2.049 7.086 1.00 3.43 C ATOM 435 OG1 THR A 79 -7.243 2.687 8.368 1.00 3.24 O ATOM 436 CG2 THR A 79 -6.461 0.772 7.125 1.00 61.03 C ATOM 0 H THR A 79 -5.870 1.959 4.468 1.00 41.01 H new ATOM 0 HA THR A 79 -7.485 3.853 5.952 1.00 22.40 H new ATOM 0 HB THR A 79 -8.313 1.783 6.842 1.00 3.43 H new ATOM 0 HG1 THR A 79 -7.840 2.217 8.987 1.00 3.24 H new ATOM 0 HG21 THR A 79 -6.844 0.116 7.906 1.00 61.03 H new ATOM 0 HG22 THR A 79 -6.528 0.267 6.162 1.00 61.03 H new ATOM 0 HG23 THR A 79 -5.420 1.016 7.335 1.00 61.03 H new ATOM 444 N PRO A 80 -5.292 4.825 6.730 1.00 40.33 N ATOM 445 CA PRO A 80 -4.029 5.435 7.187 1.00 10.31 C ATOM 446 C PRO A 80 -3.567 4.911 8.539 1.00 41.10 C ATOM 447 O PRO A 80 -2.468 5.238 9.007 1.00 1.43 O ATOM 448 CB PRO A 80 -4.355 6.922 7.263 1.00 44.14 C ATOM 449 CG PRO A 80 -5.827 6.969 7.444 1.00 13.33 C ATOM 450 CD PRO A 80 -6.377 5.810 6.673 1.00 32.23 C ATOM 0 HA PRO A 80 -3.206 5.201 6.512 1.00 10.31 H new ATOM 0 HB2 PRO A 80 -3.837 7.400 8.094 1.00 44.14 H new ATOM 0 HB3 PRO A 80 -4.050 7.443 6.355 1.00 44.14 H new ATOM 0 HG2 PRO A 80 -6.092 6.897 8.499 1.00 13.33 H new ATOM 0 HG3 PRO A 80 -6.235 7.911 7.076 1.00 13.33 H new ATOM 0 HD2 PRO A 80 -7.293 5.426 7.122 1.00 32.23 H new ATOM 0 HD3 PRO A 80 -6.616 6.087 5.646 1.00 32.23 H new ATOM 458 N ASP A 81 -4.382 4.099 9.153 1.00 0.14 N ATOM 459 CA ASP A 81 -4.037 3.494 10.400 1.00 25.24 C ATOM 460 C ASP A 81 -3.372 2.196 10.090 1.00 44.25 C ATOM 461 O ASP A 81 -4.020 1.279 9.594 1.00 51.32 O ATOM 462 CB ASP A 81 -5.272 3.217 11.269 1.00 41.20 C ATOM 463 CG ASP A 81 -6.029 4.445 11.690 1.00 71.41 C ATOM 464 OD1 ASP A 81 -5.637 5.095 12.676 1.00 31.31 O ATOM 465 OD2 ASP A 81 -7.056 4.771 11.060 1.00 33.25 O ATOM 0 H ASP A 81 -5.303 3.841 8.799 1.00 0.14 H new ATOM 0 HA ASP A 81 -3.389 4.172 10.956 1.00 25.24 H new ATOM 0 HB2 ASP A 81 -5.947 2.561 10.719 1.00 41.20 H new ATOM 0 HB3 ASP A 81 -4.958 2.676 12.162 1.00 41.20 H new ATOM 470 N LEU A 82 -2.077 2.122 10.330 1.00 3.44 N ATOM 471 CA LEU A 82 -1.294 0.933 10.087 1.00 21.03 C ATOM 472 C LEU A 82 -1.917 -0.232 10.842 1.00 53.22 C ATOM 473 O LEU A 82 -2.025 -1.328 10.304 1.00 61.21 O ATOM 474 CB LEU A 82 0.150 1.158 10.564 1.00 12.22 C ATOM 475 CG LEU A 82 1.273 0.353 9.866 1.00 31.01 C ATOM 476 CD1 LEU A 82 1.038 -1.131 9.935 1.00 43.24 C ATOM 477 CD2 LEU A 82 1.408 0.782 8.434 1.00 14.53 C ATOM 0 H LEU A 82 -1.534 2.900 10.705 1.00 3.44 H new ATOM 0 HA LEU A 82 -1.281 0.710 9.020 1.00 21.03 H new ATOM 0 HB2 LEU A 82 0.378 2.218 10.453 1.00 12.22 H new ATOM 0 HB3 LEU A 82 0.190 0.934 11.630 1.00 12.22 H new ATOM 0 HG LEU A 82 2.199 0.564 10.401 1.00 31.01 H new ATOM 0 HD11 LEU A 82 1.852 -1.652 9.432 1.00 43.24 H new ATOM 0 HD12 LEU A 82 0.996 -1.445 10.978 1.00 43.24 H new ATOM 0 HD13 LEU A 82 0.095 -1.373 9.445 1.00 43.24 H new ATOM 0 HD21 LEU A 82 2.201 0.208 7.955 1.00 14.53 H new ATOM 0 HD22 LEU A 82 0.468 0.607 7.912 1.00 14.53 H new ATOM 0 HD23 LEU A 82 1.653 1.843 8.394 1.00 14.53 H new ATOM 489 N ASN A 83 -2.361 0.036 12.070 1.00 54.13 N ATOM 490 CA ASN A 83 -3.010 -0.951 12.906 1.00 11.41 C ATOM 491 C ASN A 83 -4.157 -1.570 12.162 1.00 2.14 C ATOM 492 O ASN A 83 -4.207 -2.764 11.996 1.00 41.11 O ATOM 493 CB ASN A 83 -3.551 -0.301 14.177 1.00 13.31 C ATOM 494 CG ASN A 83 -4.253 -1.267 15.103 1.00 11.30 C ATOM 495 OD1 ASN A 83 -5.159 -0.888 15.847 1.00 25.10 O ATOM 496 ND2 ASN A 83 -3.881 -2.489 15.073 1.00 33.33 N ATOM 0 H ASN A 83 -2.276 0.953 12.508 1.00 54.13 H new ATOM 0 HA ASN A 83 -2.276 -1.712 13.170 1.00 11.41 H new ATOM 0 HB2 ASN A 83 -2.726 0.168 14.714 1.00 13.31 H new ATOM 0 HB3 ASN A 83 -4.245 0.493 13.901 1.00 13.31 H new ATOM 0 HD21 ASN A 83 -4.337 -3.176 15.674 1.00 33.33 H new ATOM 0 HD22 ASN A 83 -3.128 -2.778 14.448 1.00 33.33 H new ATOM 503 N MET A 84 -5.015 -0.733 11.638 1.00 70.32 N ATOM 504 CA MET A 84 -6.213 -1.194 10.965 1.00 64.25 C ATOM 505 C MET A 84 -5.858 -1.815 9.651 1.00 11.03 C ATOM 506 O MET A 84 -6.538 -2.724 9.179 1.00 41.12 O ATOM 507 CB MET A 84 -7.199 -0.060 10.747 1.00 55.43 C ATOM 508 CG MET A 84 -7.594 0.638 12.015 1.00 35.42 C ATOM 509 SD MET A 84 -8.352 -0.472 13.223 1.00 2.22 S ATOM 510 CE MET A 84 -9.820 -1.012 12.343 1.00 33.43 C ATOM 0 H MET A 84 -4.909 0.281 11.662 1.00 70.32 H new ATOM 0 HA MET A 84 -6.688 -1.939 11.604 1.00 64.25 H new ATOM 0 HB2 MET A 84 -6.761 0.666 10.063 1.00 55.43 H new ATOM 0 HB3 MET A 84 -8.093 -0.454 10.264 1.00 55.43 H new ATOM 0 HG2 MET A 84 -6.713 1.102 12.458 1.00 35.42 H new ATOM 0 HG3 MET A 84 -8.292 1.441 11.779 1.00 35.42 H new ATOM 0 HE1 MET A 84 -10.513 -1.478 13.043 1.00 33.43 H new ATOM 0 HE2 MET A 84 -10.300 -0.153 11.875 1.00 33.43 H new ATOM 0 HE3 MET A 84 -9.539 -1.733 11.576 1.00 33.43 H new ATOM 520 N PHE A 85 -4.791 -1.318 9.057 1.00 72.23 N ATOM 521 CA PHE A 85 -4.313 -1.843 7.810 1.00 44.40 C ATOM 522 C PHE A 85 -3.868 -3.276 7.974 1.00 12.21 C ATOM 523 O PHE A 85 -4.434 -4.159 7.366 1.00 21.42 O ATOM 524 CB PHE A 85 -3.162 -0.976 7.249 1.00 51.01 C ATOM 525 CG PHE A 85 -2.460 -1.599 6.069 1.00 61.03 C ATOM 526 CD1 PHE A 85 -3.057 -1.630 4.815 1.00 44.33 C ATOM 527 CD2 PHE A 85 -1.208 -2.176 6.225 1.00 74.21 C ATOM 528 CE1 PHE A 85 -2.414 -2.219 3.743 1.00 33.12 C ATOM 529 CE2 PHE A 85 -0.568 -2.770 5.158 1.00 4.00 C ATOM 530 CZ PHE A 85 -1.172 -2.790 3.914 1.00 61.03 C ATOM 0 H PHE A 85 -4.240 -0.544 9.428 1.00 72.23 H new ATOM 0 HA PHE A 85 -5.135 -1.816 7.094 1.00 44.40 H new ATOM 0 HB2 PHE A 85 -3.560 -0.005 6.954 1.00 51.01 H new ATOM 0 HB3 PHE A 85 -2.435 -0.795 8.041 1.00 51.01 H new ATOM 0 HD1 PHE A 85 -4.033 -1.189 4.677 1.00 44.33 H new ATOM 0 HD2 PHE A 85 -0.729 -2.160 7.193 1.00 74.21 H new ATOM 0 HE1 PHE A 85 -2.885 -2.232 2.771 1.00 33.12 H new ATOM 0 HE2 PHE A 85 0.405 -3.220 5.294 1.00 4.00 H new ATOM 0 HZ PHE A 85 -0.670 -3.253 3.077 1.00 61.03 H new ATOM 540 N THR A 86 -2.964 -3.510 8.887 1.00 61.35 N ATOM 541 CA THR A 86 -2.423 -4.832 9.065 1.00 53.13 C ATOM 542 C THR A 86 -3.444 -5.739 9.740 1.00 23.34 C ATOM 543 O THR A 86 -3.444 -6.933 9.519 1.00 1.24 O ATOM 544 CB THR A 86 -1.037 -4.835 9.799 1.00 64.04 C ATOM 545 OG1 THR A 86 -0.496 -6.176 9.886 1.00 25.43 O ATOM 546 CG2 THR A 86 -1.134 -4.234 11.190 1.00 34.51 C ATOM 0 H THR A 86 -2.586 -2.804 9.519 1.00 61.35 H new ATOM 0 HA THR A 86 -2.219 -5.236 8.074 1.00 53.13 H new ATOM 0 HB THR A 86 -0.365 -4.217 9.204 1.00 64.04 H new ATOM 0 HG1 THR A 86 0.369 -6.151 10.346 1.00 25.43 H new ATOM 0 HG21 THR A 86 -0.153 -4.255 11.665 1.00 34.51 H new ATOM 0 HG22 THR A 86 -1.480 -3.203 11.118 1.00 34.51 H new ATOM 0 HG23 THR A 86 -1.839 -4.812 11.788 1.00 34.51 H new ATOM 554 N PHE A 87 -4.341 -5.148 10.512 1.00 73.12 N ATOM 555 CA PHE A 87 -5.397 -5.882 11.160 1.00 72.23 C ATOM 556 C PHE A 87 -6.392 -6.404 10.149 1.00 62.31 C ATOM 557 O PHE A 87 -6.690 -7.597 10.131 1.00 23.14 O ATOM 558 CB PHE A 87 -6.090 -5.032 12.237 1.00 4.53 C ATOM 559 CG PHE A 87 -7.428 -5.546 12.672 1.00 12.22 C ATOM 560 CD1 PHE A 87 -7.556 -6.784 13.271 1.00 63.43 C ATOM 561 CD2 PHE A 87 -8.566 -4.782 12.473 1.00 0.41 C ATOM 562 CE1 PHE A 87 -8.791 -7.249 13.658 1.00 5.43 C ATOM 563 CE2 PHE A 87 -9.802 -5.241 12.860 1.00 43.03 C ATOM 564 CZ PHE A 87 -9.916 -6.478 13.453 1.00 61.22 C ATOM 0 H PHE A 87 -4.351 -4.146 10.702 1.00 73.12 H new ATOM 0 HA PHE A 87 -4.948 -6.740 11.660 1.00 72.23 H new ATOM 0 HB2 PHE A 87 -5.438 -4.971 13.108 1.00 4.53 H new ATOM 0 HB3 PHE A 87 -6.211 -4.017 11.858 1.00 4.53 H new ATOM 0 HD1 PHE A 87 -6.679 -7.392 13.437 1.00 63.43 H new ATOM 0 HD2 PHE A 87 -8.481 -3.811 12.007 1.00 0.41 H new ATOM 0 HE1 PHE A 87 -8.880 -8.220 14.123 1.00 5.43 H new ATOM 0 HE2 PHE A 87 -10.681 -4.634 12.700 1.00 43.03 H new ATOM 0 HZ PHE A 87 -10.885 -6.844 13.757 1.00 61.22 H new ATOM 574 N HIS A 88 -6.890 -5.531 9.279 1.00 25.43 N ATOM 575 CA HIS A 88 -7.862 -5.968 8.305 1.00 62.53 C ATOM 576 C HIS A 88 -7.195 -6.912 7.314 1.00 4.02 C ATOM 577 O HIS A 88 -7.827 -7.790 6.768 1.00 34.51 O ATOM 578 CB HIS A 88 -8.627 -4.794 7.615 1.00 50.24 C ATOM 579 CG HIS A 88 -7.992 -4.180 6.385 1.00 11.15 C ATOM 580 ND1 HIS A 88 -7.322 -2.983 6.373 1.00 3.35 N ATOM 581 CD2 HIS A 88 -7.991 -4.627 5.104 1.00 24.53 C ATOM 582 CE1 HIS A 88 -6.936 -2.728 5.127 1.00 12.31 C ATOM 583 NE2 HIS A 88 -7.323 -3.722 4.290 1.00 60.23 N ATOM 0 H HIS A 88 -6.640 -4.543 9.234 1.00 25.43 H new ATOM 0 HA HIS A 88 -8.644 -6.515 8.831 1.00 62.53 H new ATOM 0 HB2 HIS A 88 -9.618 -5.153 7.339 1.00 50.24 H new ATOM 0 HB3 HIS A 88 -8.768 -4.004 8.352 1.00 50.24 H new ATOM 0 HD1 HIS A 88 -7.149 -2.389 7.184 1.00 3.35 H new ATOM 0 HD2 HIS A 88 -8.442 -5.549 4.768 1.00 24.53 H new ATOM 0 HE1 HIS A 88 -6.388 -1.848 4.823 1.00 12.31 H new ATOM 591 N VAL A 89 -5.901 -6.719 7.098 1.00 4.33 N ATOM 592 CA VAL A 89 -5.145 -7.608 6.249 1.00 62.31 C ATOM 593 C VAL A 89 -5.074 -8.968 6.894 1.00 22.42 C ATOM 594 O VAL A 89 -5.539 -9.917 6.336 1.00 34.42 O ATOM 595 CB VAL A 89 -3.712 -7.082 5.949 1.00 54.11 C ATOM 596 CG1 VAL A 89 -2.861 -8.150 5.277 1.00 74.54 C ATOM 597 CG2 VAL A 89 -3.762 -5.866 5.053 1.00 51.24 C ATOM 0 H VAL A 89 -5.360 -5.954 7.501 1.00 4.33 H new ATOM 0 HA VAL A 89 -5.662 -7.668 5.291 1.00 62.31 H new ATOM 0 HB VAL A 89 -3.263 -6.815 6.906 1.00 54.11 H new ATOM 0 HG11 VAL A 89 -1.866 -7.752 5.080 1.00 74.54 H new ATOM 0 HG12 VAL A 89 -2.782 -9.018 5.932 1.00 74.54 H new ATOM 0 HG13 VAL A 89 -3.325 -8.447 4.337 1.00 74.54 H new ATOM 0 HG21 VAL A 89 -2.748 -5.516 4.857 1.00 51.24 H new ATOM 0 HG22 VAL A 89 -4.244 -6.128 4.111 1.00 51.24 H new ATOM 0 HG23 VAL A 89 -4.330 -5.076 5.544 1.00 51.24 H new ATOM 607 N ASP A 90 -4.599 -9.012 8.120 1.00 40.12 N ATOM 608 CA ASP A 90 -4.407 -10.265 8.861 1.00 53.11 C ATOM 609 C ASP A 90 -5.726 -11.002 9.033 1.00 24.42 C ATOM 610 O ASP A 90 -5.769 -12.228 9.116 1.00 20.14 O ATOM 611 CB ASP A 90 -3.799 -9.955 10.225 1.00 24.33 C ATOM 612 CG ASP A 90 -3.439 -11.177 11.020 1.00 43.41 C ATOM 613 OD1 ASP A 90 -2.334 -11.733 10.796 1.00 70.42 O ATOM 614 OD2 ASP A 90 -4.205 -11.568 11.929 1.00 32.14 O ATOM 0 H ASP A 90 -4.330 -8.180 8.645 1.00 40.12 H new ATOM 0 HA ASP A 90 -3.733 -10.908 8.296 1.00 53.11 H new ATOM 0 HB2 ASP A 90 -2.905 -9.348 10.084 1.00 24.33 H new ATOM 0 HB3 ASP A 90 -4.505 -9.354 10.799 1.00 24.33 H new ATOM 619 N SER A 91 -6.783 -10.248 9.054 1.00 43.01 N ATOM 620 CA SER A 91 -8.096 -10.782 9.214 1.00 31.05 C ATOM 621 C SER A 91 -8.692 -11.263 7.886 1.00 45.14 C ATOM 622 O SER A 91 -9.176 -12.402 7.790 1.00 5.52 O ATOM 623 CB SER A 91 -9.005 -9.715 9.835 1.00 60.42 C ATOM 624 OG SER A 91 -10.332 -10.188 10.005 1.00 63.42 O ATOM 0 H SER A 91 -6.755 -9.233 8.959 1.00 43.01 H new ATOM 0 HA SER A 91 -8.026 -11.649 9.871 1.00 31.05 H new ATOM 0 HB2 SER A 91 -8.601 -9.410 10.801 1.00 60.42 H new ATOM 0 HB3 SER A 91 -9.013 -8.830 9.199 1.00 60.42 H new ATOM 0 HG SER A 91 -10.896 -9.847 9.280 1.00 63.42 H new ATOM 630 N GLU A 92 -8.637 -10.431 6.873 1.00 0.54 N ATOM 631 CA GLU A 92 -9.379 -10.714 5.648 1.00 52.30 C ATOM 632 C GLU A 92 -8.507 -11.358 4.575 1.00 41.13 C ATOM 633 O GLU A 92 -8.957 -12.236 3.842 1.00 30.04 O ATOM 634 CB GLU A 92 -10.027 -9.433 5.107 1.00 31.45 C ATOM 635 CG GLU A 92 -10.879 -8.664 6.122 1.00 33.32 C ATOM 636 CD GLU A 92 -12.030 -9.465 6.689 1.00 32.23 C ATOM 637 OE1 GLU A 92 -13.110 -9.518 6.051 1.00 54.44 O ATOM 638 OE2 GLU A 92 -11.900 -10.011 7.816 1.00 34.42 O ATOM 0 H GLU A 92 -8.099 -9.565 6.862 1.00 0.54 H new ATOM 0 HA GLU A 92 -10.158 -11.432 5.905 1.00 52.30 H new ATOM 0 HB2 GLU A 92 -9.241 -8.773 4.739 1.00 31.45 H new ATOM 0 HB3 GLU A 92 -10.652 -9.692 4.252 1.00 31.45 H new ATOM 0 HG2 GLU A 92 -10.240 -8.334 6.941 1.00 33.32 H new ATOM 0 HG3 GLU A 92 -11.274 -7.767 5.645 1.00 33.32 H new ATOM 645 N HIS A 93 -7.271 -10.936 4.491 1.00 71.13 N ATOM 646 CA HIS A 93 -6.332 -11.418 3.504 1.00 55.14 C ATOM 647 C HIS A 93 -4.966 -11.710 4.157 1.00 42.24 C ATOM 648 O HIS A 93 -3.983 -11.014 3.894 1.00 33.01 O ATOM 649 CB HIS A 93 -6.204 -10.412 2.306 1.00 31.24 C ATOM 650 CG HIS A 93 -6.701 -8.971 2.557 1.00 43.33 C ATOM 651 ND1 HIS A 93 -8.012 -8.585 2.396 1.00 11.31 N ATOM 652 CD2 HIS A 93 -6.029 -7.833 2.927 1.00 51.14 C ATOM 653 CE1 HIS A 93 -8.122 -7.289 2.651 1.00 52.44 C ATOM 654 NE2 HIS A 93 -6.932 -6.741 2.984 1.00 72.42 N ATOM 0 H HIS A 93 -6.879 -10.234 5.118 1.00 71.13 H new ATOM 0 HA HIS A 93 -6.711 -12.354 3.095 1.00 55.14 H new ATOM 0 HB2 HIS A 93 -5.156 -10.364 2.012 1.00 31.24 H new ATOM 0 HB3 HIS A 93 -6.755 -10.820 1.458 1.00 31.24 H new ATOM 0 HD1 HIS A 93 -8.779 -9.200 2.123 1.00 11.31 H new ATOM 0 HD2 HIS A 93 -4.972 -7.777 3.142 1.00 51.14 H new ATOM 0 HE1 HIS A 93 -9.049 -6.738 2.599 1.00 52.44 H new ATOM 662 N PRO A 94 -4.913 -12.717 5.087 1.00 22.53 N ATOM 663 CA PRO A 94 -3.702 -13.026 5.854 1.00 13.44 C ATOM 664 C PRO A 94 -2.549 -13.538 4.987 1.00 35.15 C ATOM 665 O PRO A 94 -1.501 -12.888 4.875 1.00 22.53 O ATOM 666 CB PRO A 94 -4.158 -14.092 6.863 1.00 14.41 C ATOM 667 CG PRO A 94 -5.388 -14.690 6.270 1.00 61.05 C ATOM 668 CD PRO A 94 -6.039 -13.605 5.471 1.00 25.53 C ATOM 0 HA PRO A 94 -3.298 -12.131 6.328 1.00 13.44 H new ATOM 0 HB2 PRO A 94 -3.386 -14.847 7.014 1.00 14.41 H new ATOM 0 HB3 PRO A 94 -4.366 -13.649 7.837 1.00 14.41 H new ATOM 0 HG2 PRO A 94 -5.140 -15.543 5.638 1.00 61.05 H new ATOM 0 HG3 PRO A 94 -6.058 -15.054 7.049 1.00 61.05 H new ATOM 0 HD2 PRO A 94 -6.548 -14.006 4.594 1.00 25.53 H new ATOM 0 HD3 PRO A 94 -6.786 -13.071 6.058 1.00 25.53 H new ATOM 676 N ASN A 95 -2.726 -14.688 4.388 1.00 74.03 N ATOM 677 CA ASN A 95 -1.725 -15.239 3.510 1.00 11.12 C ATOM 678 C ASN A 95 -2.193 -15.041 2.097 1.00 75.42 C ATOM 679 O ASN A 95 -3.291 -15.465 1.730 1.00 20.33 O ATOM 680 CB ASN A 95 -1.471 -16.730 3.802 1.00 61.13 C ATOM 681 CG ASN A 95 -0.398 -17.347 2.899 1.00 21.11 C ATOM 682 OD1 ASN A 95 -0.694 -17.844 1.813 1.00 54.34 O ATOM 683 ND2 ASN A 95 0.832 -17.349 3.346 1.00 54.40 N ATOM 0 H ASN A 95 -3.561 -15.265 4.493 1.00 74.03 H new ATOM 0 HA ASN A 95 -0.776 -14.727 3.670 1.00 11.12 H new ATOM 0 HB2 ASN A 95 -1.170 -16.844 4.843 1.00 61.13 H new ATOM 0 HB3 ASN A 95 -2.403 -17.282 3.678 1.00 61.13 H new ATOM 0 HD21 ASN A 95 1.576 -17.770 2.790 1.00 54.40 H new ATOM 0 HD22 ASN A 95 1.047 -16.929 4.250 1.00 54.40 H new ATOM 690 N VAL A 96 -1.419 -14.356 1.339 1.00 5.21 N ATOM 691 CA VAL A 96 -1.729 -14.048 -0.020 1.00 42.14 C ATOM 692 C VAL A 96 -0.414 -14.004 -0.778 1.00 43.24 C ATOM 693 O VAL A 96 0.609 -13.611 -0.206 1.00 63.55 O ATOM 694 CB VAL A 96 -2.533 -12.700 -0.102 1.00 13.11 C ATOM 695 CG1 VAL A 96 -1.801 -11.557 0.575 1.00 74.35 C ATOM 696 CG2 VAL A 96 -2.926 -12.346 -1.532 1.00 33.22 C ATOM 0 H VAL A 96 -0.524 -13.980 1.650 1.00 5.21 H new ATOM 0 HA VAL A 96 -2.373 -14.803 -0.471 1.00 42.14 H new ATOM 0 HB VAL A 96 -3.459 -12.861 0.450 1.00 13.11 H new ATOM 0 HG11 VAL A 96 -2.394 -10.646 0.493 1.00 74.35 H new ATOM 0 HG12 VAL A 96 -1.646 -11.796 1.627 1.00 74.35 H new ATOM 0 HG13 VAL A 96 -0.836 -11.406 0.092 1.00 74.35 H new ATOM 0 HG21 VAL A 96 -3.479 -11.407 -1.535 1.00 33.22 H new ATOM 0 HG22 VAL A 96 -2.028 -12.240 -2.141 1.00 33.22 H new ATOM 0 HG23 VAL A 96 -3.552 -13.137 -1.944 1.00 33.22 H new ATOM 706 N VAL A 97 -0.408 -14.476 -2.007 1.00 75.53 N ATOM 707 CA VAL A 97 0.822 -14.584 -2.762 1.00 40.44 C ATOM 708 C VAL A 97 0.733 -13.863 -4.107 1.00 54.20 C ATOM 709 O VAL A 97 -0.070 -14.228 -4.984 1.00 2.32 O ATOM 710 CB VAL A 97 1.248 -16.075 -2.993 1.00 55.12 C ATOM 711 CG1 VAL A 97 2.554 -16.162 -3.783 1.00 4.34 C ATOM 712 CG2 VAL A 97 1.383 -16.823 -1.670 1.00 50.21 C ATOM 0 H VAL A 97 -1.241 -14.791 -2.504 1.00 75.53 H new ATOM 0 HA VAL A 97 1.586 -14.098 -2.155 1.00 40.44 H new ATOM 0 HB VAL A 97 0.460 -16.549 -3.578 1.00 55.12 H new ATOM 0 HG11 VAL A 97 2.823 -17.208 -3.927 1.00 4.34 H new ATOM 0 HG12 VAL A 97 2.425 -15.684 -4.754 1.00 4.34 H new ATOM 0 HG13 VAL A 97 3.347 -15.656 -3.232 1.00 4.34 H new ATOM 0 HG21 VAL A 97 1.679 -17.854 -1.863 1.00 50.21 H new ATOM 0 HG22 VAL A 97 2.139 -16.338 -1.053 1.00 50.21 H new ATOM 0 HG23 VAL A 97 0.427 -16.812 -1.147 1.00 50.21 H new ATOM 722 N LEU A 98 1.526 -12.834 -4.235 1.00 64.13 N ATOM 723 CA LEU A 98 1.689 -12.083 -5.470 1.00 11.51 C ATOM 724 C LEU A 98 3.094 -12.350 -5.986 1.00 24.10 C ATOM 725 O LEU A 98 3.878 -13.026 -5.322 1.00 74.50 O ATOM 726 CB LEU A 98 1.520 -10.549 -5.253 1.00 1.20 C ATOM 727 CG LEU A 98 0.143 -10.006 -4.815 1.00 51.43 C ATOM 728 CD1 LEU A 98 -0.949 -10.422 -5.773 1.00 62.01 C ATOM 729 CD2 LEU A 98 -0.198 -10.391 -3.385 1.00 51.21 C ATOM 0 H LEU A 98 2.096 -12.478 -3.468 1.00 64.13 H new ATOM 0 HA LEU A 98 0.923 -12.401 -6.177 1.00 11.51 H new ATOM 0 HB2 LEU A 98 2.250 -10.239 -4.505 1.00 1.20 H new ATOM 0 HB3 LEU A 98 1.789 -10.052 -6.185 1.00 1.20 H new ATOM 0 HG LEU A 98 0.211 -8.918 -4.844 1.00 51.43 H new ATOM 0 HD11 LEU A 98 -1.904 -10.022 -5.432 1.00 62.01 H new ATOM 0 HD12 LEU A 98 -0.727 -10.035 -6.768 1.00 62.01 H new ATOM 0 HD13 LEU A 98 -1.005 -11.510 -5.811 1.00 62.01 H new ATOM 0 HD21 LEU A 98 -1.176 -9.986 -3.123 1.00 51.21 H new ATOM 0 HD22 LEU A 98 -0.219 -11.477 -3.296 1.00 51.21 H new ATOM 0 HD23 LEU A 98 0.556 -9.986 -2.710 1.00 51.21 H new ATOM 741 N ASN A 99 3.422 -11.833 -7.133 1.00 13.41 N ATOM 742 CA ASN A 99 4.763 -12.022 -7.670 1.00 11.11 C ATOM 743 C ASN A 99 5.425 -10.695 -7.985 1.00 63.31 C ATOM 744 O ASN A 99 6.642 -10.550 -7.897 1.00 44.24 O ATOM 745 CB ASN A 99 4.731 -12.913 -8.913 1.00 2.24 C ATOM 746 CG ASN A 99 6.106 -13.179 -9.497 1.00 12.34 C ATOM 747 OD1 ASN A 99 6.563 -12.468 -10.396 1.00 33.41 O ATOM 748 ND2 ASN A 99 6.771 -14.193 -9.000 1.00 13.32 N ATOM 0 H ASN A 99 2.796 -11.281 -7.720 1.00 13.41 H new ATOM 0 HA ASN A 99 5.357 -12.519 -6.903 1.00 11.11 H new ATOM 0 HB2 ASN A 99 4.262 -13.863 -8.658 1.00 2.24 H new ATOM 0 HB3 ASN A 99 4.106 -12.443 -9.672 1.00 2.24 H new ATOM 0 HD21 ASN A 99 7.700 -14.417 -9.356 1.00 13.32 H new ATOM 0 HD22 ASN A 99 6.360 -14.758 -8.257 1.00 13.32 H new ATOM 755 N SER A 100 4.649 -9.726 -8.384 1.00 70.44 N ATOM 756 CA SER A 100 5.199 -8.440 -8.705 1.00 13.44 C ATOM 757 C SER A 100 4.280 -7.331 -8.240 1.00 63.54 C ATOM 758 O SER A 100 3.258 -7.048 -8.857 1.00 23.15 O ATOM 759 CB SER A 100 5.474 -8.350 -10.202 1.00 72.01 C ATOM 760 OG SER A 100 6.341 -9.408 -10.603 1.00 31.43 O ATOM 0 H SER A 100 3.638 -9.802 -8.494 1.00 70.44 H new ATOM 0 HA SER A 100 6.145 -8.318 -8.178 1.00 13.44 H new ATOM 0 HB2 SER A 100 4.537 -8.407 -10.756 1.00 72.01 H new ATOM 0 HB3 SER A 100 5.927 -7.388 -10.440 1.00 72.01 H new ATOM 0 HG SER A 100 6.511 -9.344 -11.566 1.00 31.43 H new ATOM 766 N SER A 101 4.582 -6.798 -7.091 1.00 52.34 N ATOM 767 CA SER A 101 3.884 -5.704 -6.535 1.00 14.31 C ATOM 768 C SER A 101 4.885 -4.897 -5.744 1.00 11.03 C ATOM 769 O SER A 101 5.990 -5.390 -5.474 1.00 10.55 O ATOM 770 CB SER A 101 2.779 -6.221 -5.637 1.00 3.34 C ATOM 771 OG SER A 101 1.914 -7.083 -6.354 1.00 73.32 O ATOM 0 H SER A 101 5.348 -7.133 -6.506 1.00 52.34 H new ATOM 0 HA SER A 101 3.427 -5.084 -7.306 1.00 14.31 H new ATOM 0 HB2 SER A 101 3.211 -6.754 -4.790 1.00 3.34 H new ATOM 0 HB3 SER A 101 2.212 -5.384 -5.231 1.00 3.34 H new ATOM 0 HG SER A 101 2.322 -7.971 -6.424 1.00 73.32 H new ATOM 777 N TYR A 102 4.518 -3.708 -5.369 1.00 54.54 N ATOM 778 CA TYR A 102 5.398 -2.819 -4.661 1.00 50.05 C ATOM 779 C TYR A 102 4.880 -2.516 -3.278 1.00 43.40 C ATOM 780 O TYR A 102 3.669 -2.333 -3.076 1.00 13.24 O ATOM 781 CB TYR A 102 5.594 -1.538 -5.440 1.00 10.20 C ATOM 782 CG TYR A 102 6.791 -1.494 -6.369 1.00 54.12 C ATOM 783 CD1 TYR A 102 7.034 -2.491 -7.304 1.00 53.33 C ATOM 784 CD2 TYR A 102 7.673 -0.425 -6.312 1.00 53.14 C ATOM 785 CE1 TYR A 102 8.125 -2.426 -8.153 1.00 4.12 C ATOM 786 CE2 TYR A 102 8.768 -0.354 -7.155 1.00 62.44 C ATOM 787 CZ TYR A 102 8.989 -1.357 -8.071 1.00 50.33 C ATOM 788 OH TYR A 102 10.076 -1.287 -8.917 1.00 21.23 O ATOM 0 H TYR A 102 3.591 -3.322 -5.546 1.00 54.54 H new ATOM 0 HA TYR A 102 6.361 -3.320 -4.556 1.00 50.05 H new ATOM 0 HB2 TYR A 102 4.696 -1.356 -6.030 1.00 10.20 H new ATOM 0 HB3 TYR A 102 5.681 -0.716 -4.730 1.00 10.20 H new ATOM 0 HD1 TYR A 102 6.360 -3.332 -7.370 1.00 53.33 H new ATOM 0 HD2 TYR A 102 7.502 0.366 -5.597 1.00 53.14 H new ATOM 0 HE1 TYR A 102 8.298 -3.210 -8.876 1.00 4.12 H new ATOM 0 HE2 TYR A 102 9.446 0.485 -7.094 1.00 62.44 H new ATOM 0 HH TYR A 102 10.584 -0.470 -8.730 1.00 21.23 H new ATOM 798 N VAL A 103 5.784 -2.490 -2.332 1.00 53.43 N ATOM 799 CA VAL A 103 5.461 -2.212 -0.961 1.00 31.12 C ATOM 800 C VAL A 103 6.396 -1.133 -0.404 1.00 13.13 C ATOM 801 O VAL A 103 7.584 -1.110 -0.703 1.00 25.33 O ATOM 802 CB VAL A 103 5.564 -3.528 -0.105 1.00 1.02 C ATOM 803 CG1 VAL A 103 6.937 -4.063 -0.099 1.00 61.25 C ATOM 804 CG2 VAL A 103 5.117 -3.358 1.309 1.00 13.01 C ATOM 0 H VAL A 103 6.776 -2.664 -2.497 1.00 53.43 H new ATOM 0 HA VAL A 103 4.437 -1.841 -0.907 1.00 31.12 H new ATOM 0 HB VAL A 103 4.887 -4.230 -0.592 1.00 1.02 H new ATOM 0 HG11 VAL A 103 6.971 -4.972 0.502 1.00 61.25 H new ATOM 0 HG12 VAL A 103 7.243 -4.291 -1.120 1.00 61.25 H new ATOM 0 HG13 VAL A 103 7.614 -3.322 0.326 1.00 61.25 H new ATOM 0 HG21 VAL A 103 5.216 -4.306 1.838 1.00 13.01 H new ATOM 0 HG22 VAL A 103 5.734 -2.604 1.797 1.00 13.01 H new ATOM 0 HG23 VAL A 103 4.074 -3.040 1.325 1.00 13.01 H new ATOM 814 N CYS A 104 5.858 -0.225 0.361 1.00 24.53 N ATOM 815 CA CYS A 104 6.679 0.739 1.056 1.00 44.42 C ATOM 816 C CYS A 104 7.170 0.022 2.233 1.00 74.32 C ATOM 817 O CYS A 104 6.410 -0.205 3.109 1.00 11.13 O ATOM 818 CB CYS A 104 5.836 1.965 1.487 1.00 22.22 C ATOM 819 SG CYS A 104 6.631 3.218 2.662 1.00 15.41 S ATOM 0 H CYS A 104 4.855 -0.128 0.522 1.00 24.53 H new ATOM 0 HA CYS A 104 7.487 1.119 0.431 1.00 44.42 H new ATOM 0 HB2 CYS A 104 5.534 2.497 0.585 1.00 22.22 H new ATOM 0 HB3 CYS A 104 4.925 1.596 1.959 1.00 22.22 H new ATOM 0 HG CYS A 104 5.702 3.856 3.310 1.00 15.41 H new ATOM 824 N VAL A 105 8.410 -0.403 2.219 1.00 44.51 N ATOM 825 CA VAL A 105 9.000 -1.181 3.311 1.00 44.31 C ATOM 826 C VAL A 105 8.880 -0.448 4.607 1.00 54.24 C ATOM 827 O VAL A 105 8.682 -1.046 5.658 1.00 30.33 O ATOM 828 CB VAL A 105 10.485 -1.410 3.106 1.00 4.40 C ATOM 829 CG1 VAL A 105 10.839 -2.771 3.451 1.00 12.44 C ATOM 830 CG2 VAL A 105 10.922 -1.098 1.729 1.00 43.35 C ATOM 0 H VAL A 105 9.054 -0.223 1.448 1.00 44.51 H new ATOM 0 HA VAL A 105 8.460 -2.128 3.325 1.00 44.31 H new ATOM 0 HB VAL A 105 11.008 -0.722 3.771 1.00 4.40 H new ATOM 0 HG11 VAL A 105 11.908 -2.919 3.298 1.00 12.44 H new ATOM 0 HG12 VAL A 105 10.593 -2.957 4.496 1.00 12.44 H new ATOM 0 HG13 VAL A 105 10.283 -3.463 2.818 1.00 12.44 H new ATOM 0 HG21 VAL A 105 11.993 -1.279 1.637 1.00 43.35 H new ATOM 0 HG22 VAL A 105 10.385 -1.733 1.024 1.00 43.35 H new ATOM 0 HG23 VAL A 105 10.711 -0.052 1.509 1.00 43.35 H new ATOM 840 N GLU A 106 8.968 0.860 4.496 1.00 74.43 N ATOM 841 CA GLU A 106 8.920 1.761 5.615 1.00 72.01 C ATOM 842 C GLU A 106 7.634 1.568 6.375 1.00 1.35 C ATOM 843 O GLU A 106 7.613 1.542 7.597 1.00 43.33 O ATOM 844 CB GLU A 106 9.010 3.207 5.116 1.00 75.10 C ATOM 845 CG GLU A 106 10.130 3.463 4.108 1.00 51.30 C ATOM 846 CD GLU A 106 11.520 3.233 4.657 1.00 12.41 C ATOM 847 OE1 GLU A 106 11.698 2.365 5.541 1.00 30.33 O ATOM 848 OE2 GLU A 106 12.463 3.911 4.198 1.00 15.02 O ATOM 0 H GLU A 106 9.078 1.333 3.599 1.00 74.43 H new ATOM 0 HA GLU A 106 9.761 1.553 6.277 1.00 72.01 H new ATOM 0 HB2 GLU A 106 8.059 3.480 4.659 1.00 75.10 H new ATOM 0 HB3 GLU A 106 9.153 3.865 5.973 1.00 75.10 H new ATOM 0 HG2 GLU A 106 9.981 2.816 3.244 1.00 51.30 H new ATOM 0 HG3 GLU A 106 10.057 4.491 3.753 1.00 51.30 H new ATOM 855 N CYS A 107 6.571 1.387 5.637 1.00 35.11 N ATOM 856 CA CYS A 107 5.263 1.207 6.270 1.00 54.11 C ATOM 857 C CYS A 107 4.842 -0.271 6.225 1.00 42.25 C ATOM 858 O CYS A 107 3.999 -0.727 7.000 1.00 60.43 O ATOM 859 CB CYS A 107 4.253 2.030 5.486 1.00 61.21 C ATOM 860 SG CYS A 107 4.850 3.707 5.039 1.00 64.11 S ATOM 0 H CYS A 107 6.568 1.358 4.617 1.00 35.11 H new ATOM 0 HA CYS A 107 5.311 1.524 7.312 1.00 54.11 H new ATOM 0 HB2 CYS A 107 3.990 1.493 4.574 1.00 61.21 H new ATOM 0 HB3 CYS A 107 3.340 2.124 6.074 1.00 61.21 H new ATOM 0 HG CYS A 107 6.059 3.626 4.569 1.00 64.11 H new ATOM 865 N ASN A 108 5.510 -0.988 5.363 1.00 1.32 N ATOM 866 CA ASN A 108 5.144 -2.310 4.920 1.00 72.20 C ATOM 867 C ASN A 108 3.713 -2.407 4.487 1.00 22.35 C ATOM 868 O ASN A 108 2.893 -3.103 5.082 1.00 4.12 O ATOM 869 CB ASN A 108 5.649 -3.465 5.775 1.00 63.02 C ATOM 870 CG ASN A 108 6.995 -4.002 5.306 1.00 12.45 C ATOM 871 OD1 ASN A 108 7.826 -4.391 6.107 1.00 32.33 O ATOM 872 ND2 ASN A 108 7.184 -4.093 4.002 1.00 5.21 N ATOM 0 H ASN A 108 6.368 -0.651 4.927 1.00 1.32 H new ATOM 0 HA ASN A 108 5.725 -2.458 4.009 1.00 72.20 H new ATOM 0 HB2 ASN A 108 5.736 -3.134 6.810 1.00 63.02 H new ATOM 0 HB3 ASN A 108 4.916 -4.271 5.758 1.00 63.02 H new ATOM 0 HD21 ASN A 108 8.046 -4.499 3.639 1.00 5.21 H new ATOM 0 HD22 ASN A 108 6.467 -3.758 3.358 1.00 5.21 H new ATOM 879 N PHE A 109 3.412 -1.643 3.451 1.00 44.53 N ATOM 880 CA PHE A 109 2.096 -1.614 2.885 1.00 22.41 C ATOM 881 C PHE A 109 2.201 -1.903 1.396 1.00 54.50 C ATOM 882 O PHE A 109 2.975 -1.239 0.675 1.00 21.15 O ATOM 883 CB PHE A 109 1.373 -0.261 3.179 1.00 61.12 C ATOM 884 CG PHE A 109 1.294 0.749 2.044 1.00 41.14 C ATOM 885 CD1 PHE A 109 0.241 0.704 1.154 1.00 32.34 C ATOM 886 CD2 PHE A 109 2.245 1.742 1.889 1.00 32.31 C ATOM 887 CE1 PHE A 109 0.134 1.626 0.130 1.00 74.35 C ATOM 888 CE2 PHE A 109 2.143 2.665 0.852 1.00 64.01 C ATOM 889 CZ PHE A 109 1.089 2.604 -0.023 1.00 54.33 C ATOM 0 H PHE A 109 4.081 -1.029 2.986 1.00 44.53 H new ATOM 0 HA PHE A 109 1.480 -2.384 3.350 1.00 22.41 H new ATOM 0 HB2 PHE A 109 0.357 -0.485 3.502 1.00 61.12 H new ATOM 0 HB3 PHE A 109 1.877 0.215 4.020 1.00 61.12 H new ATOM 0 HD1 PHE A 109 -0.511 -0.064 1.259 1.00 32.34 H new ATOM 0 HD2 PHE A 109 3.074 1.802 2.579 1.00 32.31 H new ATOM 0 HE1 PHE A 109 -0.702 1.578 -0.552 1.00 74.35 H new ATOM 0 HE2 PHE A 109 2.896 3.431 0.736 1.00 64.01 H new ATOM 0 HZ PHE A 109 1.009 3.320 -0.828 1.00 54.33 H new ATOM 899 N LEU A 110 1.498 -2.904 0.963 1.00 72.23 N ATOM 900 CA LEU A 110 1.496 -3.323 -0.424 1.00 54.30 C ATOM 901 C LEU A 110 0.354 -2.686 -1.107 1.00 3.32 C ATOM 902 O LEU A 110 -0.742 -2.772 -0.615 1.00 52.42 O ATOM 903 CB LEU A 110 1.342 -4.835 -0.553 1.00 41.41 C ATOM 904 CG LEU A 110 2.613 -5.653 -0.689 1.00 24.12 C ATOM 905 CD1 LEU A 110 2.280 -7.110 -0.522 1.00 35.22 C ATOM 906 CD2 LEU A 110 3.200 -5.444 -2.074 1.00 3.30 C ATOM 0 H LEU A 110 0.897 -3.468 1.564 1.00 72.23 H new ATOM 0 HA LEU A 110 2.446 -3.029 -0.870 1.00 54.30 H new ATOM 0 HB2 LEU A 110 0.801 -5.195 0.322 1.00 41.41 H new ATOM 0 HB3 LEU A 110 0.715 -5.038 -1.421 1.00 41.41 H new ATOM 0 HG LEU A 110 3.331 -5.341 0.070 1.00 24.12 H new ATOM 0 HD11 LEU A 110 3.189 -7.704 -0.619 1.00 35.22 H new ATOM 0 HD12 LEU A 110 1.843 -7.273 0.463 1.00 35.22 H new ATOM 0 HD13 LEU A 110 1.567 -7.411 -1.289 1.00 35.22 H new ATOM 0 HD21 LEU A 110 4.113 -6.031 -2.174 1.00 3.30 H new ATOM 0 HD22 LEU A 110 2.479 -5.763 -2.827 1.00 3.30 H new ATOM 0 HD23 LEU A 110 3.430 -4.388 -2.216 1.00 3.30 H new ATOM 918 N THR A 111 0.595 -2.107 -2.231 1.00 72.21 N ATOM 919 CA THR A 111 -0.429 -1.405 -2.967 1.00 22.45 C ATOM 920 C THR A 111 -0.543 -1.970 -4.374 1.00 14.35 C ATOM 921 O THR A 111 0.373 -2.652 -4.857 1.00 64.14 O ATOM 922 CB THR A 111 -0.149 0.130 -2.962 1.00 21.44 C ATOM 923 OG1 THR A 111 -0.997 0.865 -3.882 1.00 11.41 O ATOM 924 CG2 THR A 111 1.325 0.431 -3.219 1.00 32.12 C ATOM 0 H THR A 111 1.511 -2.100 -2.679 1.00 72.21 H new ATOM 0 HA THR A 111 -1.392 -1.554 -2.479 1.00 22.45 H new ATOM 0 HB THR A 111 -0.400 0.478 -1.960 1.00 21.44 H new ATOM 0 HG1 THR A 111 -1.934 0.627 -3.724 1.00 11.41 H new ATOM 0 HG21 THR A 111 1.483 1.509 -3.209 1.00 32.12 H new ATOM 0 HG22 THR A 111 1.932 -0.032 -2.441 1.00 32.12 H new ATOM 0 HG23 THR A 111 1.614 0.031 -4.191 1.00 32.12 H new ATOM 932 N LYS A 112 -1.664 -1.714 -5.018 1.00 5.05 N ATOM 933 CA LYS A 112 -1.935 -2.242 -6.337 1.00 3.31 C ATOM 934 C LYS A 112 -1.595 -1.262 -7.447 1.00 2.41 C ATOM 935 O LYS A 112 -2.078 -1.388 -8.568 1.00 74.35 O ATOM 936 CB LYS A 112 -3.371 -2.793 -6.436 1.00 31.51 C ATOM 937 CG LYS A 112 -4.457 -1.935 -5.812 1.00 4.51 C ATOM 938 CD LYS A 112 -5.783 -2.675 -5.840 1.00 23.33 C ATOM 939 CE LYS A 112 -6.863 -1.979 -5.022 1.00 24.02 C ATOM 940 NZ LYS A 112 -7.165 -0.618 -5.495 1.00 52.24 N ATOM 0 H LYS A 112 -2.412 -1.133 -4.640 1.00 5.05 H new ATOM 0 HA LYS A 112 -1.262 -3.086 -6.488 1.00 3.31 H new ATOM 0 HB2 LYS A 112 -3.611 -2.939 -7.489 1.00 31.51 H new ATOM 0 HB3 LYS A 112 -3.395 -3.775 -5.964 1.00 31.51 H new ATOM 0 HG2 LYS A 112 -4.191 -1.687 -4.784 1.00 4.51 H new ATOM 0 HG3 LYS A 112 -4.545 -0.994 -6.354 1.00 4.51 H new ATOM 0 HD2 LYS A 112 -6.120 -2.770 -6.872 1.00 23.33 H new ATOM 0 HD3 LYS A 112 -5.638 -3.686 -5.458 1.00 23.33 H new ATOM 0 HE2 LYS A 112 -7.774 -2.577 -5.052 1.00 24.02 H new ATOM 0 HE3 LYS A 112 -6.546 -1.932 -3.980 1.00 24.02 H new ATOM 0 HZ1 LYS A 112 -8.187 -0.442 -5.417 1.00 52.24 H new ATOM 0 HZ2 LYS A 112 -6.649 0.074 -4.914 1.00 52.24 H new ATOM 0 HZ3 LYS A 112 -6.872 -0.523 -6.488 1.00 52.24 H new ATOM 954 N ARG A 113 -0.733 -0.322 -7.138 1.00 35.13 N ATOM 955 CA ARG A 113 -0.218 0.614 -8.116 1.00 14.23 C ATOM 956 C ARG A 113 1.195 0.994 -7.710 1.00 21.45 C ATOM 957 O ARG A 113 1.486 1.078 -6.522 1.00 3.25 O ATOM 958 CB ARG A 113 -1.104 1.874 -8.218 1.00 22.11 C ATOM 959 CG ARG A 113 -1.235 2.657 -6.925 1.00 55.34 C ATOM 960 CD ARG A 113 -2.042 3.936 -7.109 1.00 53.14 C ATOM 961 NE ARG A 113 -3.378 3.679 -7.646 1.00 24.50 N ATOM 962 CZ ARG A 113 -4.405 3.213 -6.935 1.00 5.21 C ATOM 963 NH1 ARG A 113 -4.233 2.868 -5.679 1.00 53.51 N ATOM 964 NH2 ARG A 113 -5.585 3.072 -7.490 1.00 34.42 N ATOM 0 H ARG A 113 -0.366 -0.182 -6.197 1.00 35.13 H new ATOM 0 HA ARG A 113 -0.219 0.143 -9.099 1.00 14.23 H new ATOM 0 HB2 ARG A 113 -0.694 2.530 -8.985 1.00 22.11 H new ATOM 0 HB3 ARG A 113 -2.099 1.577 -8.551 1.00 22.11 H new ATOM 0 HG2 ARG A 113 -1.713 2.033 -6.170 1.00 55.34 H new ATOM 0 HG3 ARG A 113 -0.242 2.906 -6.550 1.00 55.34 H new ATOM 0 HD2 ARG A 113 -2.131 4.448 -6.151 1.00 53.14 H new ATOM 0 HD3 ARG A 113 -1.506 4.607 -7.780 1.00 53.14 H new ATOM 0 HE ARG A 113 -3.535 3.870 -8.636 1.00 24.50 H new ATOM 0 HH11 ARG A 113 -3.313 2.957 -5.247 1.00 53.51 H new ATOM 0 HH12 ARG A 113 -5.019 2.512 -5.136 1.00 53.51 H new ATOM 0 HH21 ARG A 113 -5.720 3.319 -8.470 1.00 34.42 H new ATOM 0 HH22 ARG A 113 -6.367 2.715 -6.941 1.00 34.42 H new ATOM 978 N TYR A 114 2.067 1.226 -8.665 1.00 62.12 N ATOM 979 CA TYR A 114 3.439 1.605 -8.345 1.00 22.32 C ATOM 980 C TYR A 114 3.508 3.087 -8.001 1.00 0.14 C ATOM 981 O TYR A 114 4.492 3.582 -7.418 1.00 33.01 O ATOM 982 CB TYR A 114 4.436 1.228 -9.476 1.00 13.34 C ATOM 983 CG TYR A 114 4.135 1.813 -10.853 1.00 24.33 C ATOM 984 CD1 TYR A 114 4.442 3.137 -11.159 1.00 71.44 C ATOM 985 CD2 TYR A 114 3.562 1.030 -11.850 1.00 10.34 C ATOM 986 CE1 TYR A 114 4.181 3.661 -12.408 1.00 3.42 C ATOM 987 CE2 TYR A 114 3.298 1.553 -13.105 1.00 62.34 C ATOM 988 CZ TYR A 114 3.610 2.867 -13.378 1.00 72.43 C ATOM 989 OH TYR A 114 3.352 3.391 -14.632 1.00 21.13 O ATOM 0 H TYR A 114 1.861 1.162 -9.662 1.00 62.12 H new ATOM 0 HA TYR A 114 3.747 1.033 -7.469 1.00 22.32 H new ATOM 0 HB2 TYR A 114 5.434 1.549 -9.176 1.00 13.34 H new ATOM 0 HB3 TYR A 114 4.464 0.142 -9.562 1.00 13.34 H new ATOM 0 HD1 TYR A 114 4.893 3.765 -10.404 1.00 71.44 H new ATOM 0 HD2 TYR A 114 3.319 -0.002 -11.642 1.00 10.34 H new ATOM 0 HE1 TYR A 114 4.424 4.691 -12.625 1.00 3.42 H new ATOM 0 HE2 TYR A 114 2.849 0.933 -13.867 1.00 62.34 H new ATOM 0 HH TYR A 114 2.949 2.700 -15.199 1.00 21.13 H new ATOM 999 N ASP A 115 2.435 3.790 -8.337 1.00 10.43 N ATOM 1000 CA ASP A 115 2.329 5.226 -8.096 1.00 23.32 C ATOM 1001 C ASP A 115 2.350 5.520 -6.636 1.00 42.35 C ATOM 1002 O ASP A 115 3.042 6.409 -6.212 1.00 4.30 O ATOM 1003 CB ASP A 115 1.047 5.834 -8.669 1.00 71.44 C ATOM 1004 CG ASP A 115 0.850 5.614 -10.133 1.00 40.13 C ATOM 1005 OD1 ASP A 115 1.548 6.256 -10.935 1.00 15.42 O ATOM 1006 OD2 ASP A 115 -0.028 4.817 -10.502 1.00 54.13 O ATOM 0 H ASP A 115 1.613 3.383 -8.784 1.00 10.43 H new ATOM 0 HA ASP A 115 3.187 5.670 -8.600 1.00 23.32 H new ATOM 0 HB2 ASP A 115 0.193 5.417 -8.135 1.00 71.44 H new ATOM 0 HB3 ASP A 115 1.052 6.906 -8.474 1.00 71.44 H new ATOM 1011 N ALA A 116 1.668 4.706 -5.861 1.00 1.11 N ATOM 1012 CA ALA A 116 1.467 4.976 -4.449 1.00 43.30 C ATOM 1013 C ALA A 116 2.783 5.013 -3.679 1.00 70.34 C ATOM 1014 O ALA A 116 2.882 5.644 -2.648 1.00 70.41 O ATOM 1015 CB ALA A 116 0.529 3.957 -3.861 1.00 34.24 C ATOM 0 H ALA A 116 1.237 3.841 -6.187 1.00 1.11 H new ATOM 0 HA ALA A 116 1.021 5.966 -4.358 1.00 43.30 H new ATOM 0 HB1 ALA A 116 0.383 4.166 -2.801 1.00 34.24 H new ATOM 0 HB2 ALA A 116 -0.430 4.006 -4.376 1.00 34.24 H new ATOM 0 HB3 ALA A 116 0.954 2.960 -3.979 1.00 34.24 H new ATOM 1021 N LEU A 117 3.781 4.333 -4.200 1.00 35.30 N ATOM 1022 CA LEU A 117 5.111 4.316 -3.602 1.00 3.24 C ATOM 1023 C LEU A 117 5.897 5.537 -4.042 1.00 74.13 C ATOM 1024 O LEU A 117 6.717 6.061 -3.313 1.00 62.31 O ATOM 1025 CB LEU A 117 5.899 3.080 -4.021 1.00 60.42 C ATOM 1026 CG LEU A 117 5.283 1.714 -3.747 1.00 53.31 C ATOM 1027 CD1 LEU A 117 4.739 1.614 -2.335 1.00 44.50 C ATOM 1028 CD2 LEU A 117 4.233 1.379 -4.777 1.00 23.03 C ATOM 0 H LEU A 117 3.700 3.774 -5.050 1.00 35.30 H new ATOM 0 HA LEU A 117 4.975 4.310 -2.521 1.00 3.24 H new ATOM 0 HB2 LEU A 117 6.089 3.152 -5.092 1.00 60.42 H new ATOM 0 HB3 LEU A 117 6.867 3.116 -3.522 1.00 60.42 H new ATOM 0 HG LEU A 117 6.076 0.971 -3.831 1.00 53.31 H new ATOM 0 HD11 LEU A 117 4.308 0.625 -2.180 1.00 44.50 H new ATOM 0 HD12 LEU A 117 5.547 1.774 -1.621 1.00 44.50 H new ATOM 0 HD13 LEU A 117 3.970 2.372 -2.187 1.00 44.50 H new ATOM 0 HD21 LEU A 117 3.809 0.399 -4.559 1.00 23.03 H new ATOM 0 HD22 LEU A 117 3.444 2.130 -4.750 1.00 23.03 H new ATOM 0 HD23 LEU A 117 4.687 1.365 -5.768 1.00 23.03 H new ATOM 1040 N SER A 118 5.627 5.968 -5.237 1.00 51.24 N ATOM 1041 CA SER A 118 6.309 7.088 -5.859 1.00 22.14 C ATOM 1042 C SER A 118 5.847 8.401 -5.256 1.00 15.33 C ATOM 1043 O SER A 118 6.629 9.316 -5.021 1.00 52.34 O ATOM 1044 CB SER A 118 5.971 7.066 -7.326 1.00 34.53 C ATOM 1045 OG SER A 118 6.651 6.028 -8.024 1.00 42.11 O ATOM 0 H SER A 118 4.911 5.548 -5.830 1.00 51.24 H new ATOM 0 HA SER A 118 7.384 7.003 -5.699 1.00 22.14 H new ATOM 0 HB2 SER A 118 4.895 6.937 -7.446 1.00 34.53 H new ATOM 0 HB3 SER A 118 6.228 8.028 -7.770 1.00 34.53 H new ATOM 0 HG SER A 118 6.140 5.195 -7.950 1.00 42.11 H new ATOM 1051 N GLU A 119 4.575 8.495 -5.062 1.00 25.12 N ATOM 1052 CA GLU A 119 3.969 9.648 -4.453 1.00 23.10 C ATOM 1053 C GLU A 119 4.112 9.564 -2.949 1.00 13.23 C ATOM 1054 O GLU A 119 3.935 10.530 -2.259 1.00 40.44 O ATOM 1055 CB GLU A 119 2.507 9.774 -4.819 1.00 22.42 C ATOM 1056 CG GLU A 119 2.182 9.197 -6.165 1.00 20.15 C ATOM 1057 CD GLU A 119 0.800 9.529 -6.647 1.00 75.35 C ATOM 1058 OE1 GLU A 119 -0.154 8.814 -6.303 1.00 53.12 O ATOM 1059 OE2 GLU A 119 0.636 10.487 -7.406 1.00 21.31 O ATOM 0 H GLU A 119 3.910 7.767 -5.323 1.00 25.12 H new ATOM 0 HA GLU A 119 4.484 10.532 -4.828 1.00 23.10 H new ATOM 0 HB2 GLU A 119 1.905 9.273 -4.061 1.00 22.42 H new ATOM 0 HB3 GLU A 119 2.225 10.827 -4.805 1.00 22.42 H new ATOM 0 HG2 GLU A 119 2.908 9.562 -6.892 1.00 20.15 H new ATOM 0 HG3 GLU A 119 2.291 8.113 -6.122 1.00 20.15 H new ATOM 1066 N HIS A 120 4.356 8.375 -2.459 1.00 24.22 N ATOM 1067 CA HIS A 120 4.471 8.111 -1.019 1.00 4.30 C ATOM 1068 C HIS A 120 5.389 9.134 -0.318 1.00 30.21 C ATOM 1069 O HIS A 120 4.967 9.802 0.537 1.00 45.23 O ATOM 1070 CB HIS A 120 4.984 6.719 -0.788 1.00 63.13 C ATOM 1071 CG HIS A 120 4.699 6.185 0.556 1.00 61.33 C ATOM 1072 ND1 HIS A 120 3.481 5.679 0.941 1.00 61.23 N ATOM 1073 CD2 HIS A 120 5.493 6.083 1.603 1.00 44.20 C ATOM 1074 CE1 HIS A 120 3.572 5.287 2.206 1.00 1.31 C ATOM 1075 NE2 HIS A 120 4.799 5.507 2.676 1.00 54.23 N ATOM 0 H HIS A 120 4.484 7.546 -3.040 1.00 24.22 H new ATOM 0 HA HIS A 120 3.475 8.209 -0.587 1.00 4.30 H new ATOM 0 HB2 HIS A 120 4.545 6.054 -1.532 1.00 63.13 H new ATOM 0 HB3 HIS A 120 6.062 6.710 -0.949 1.00 63.13 H new ATOM 0 HD1 HIS A 120 2.649 5.615 0.355 1.00 61.23 H new ATOM 0 HD2 HIS A 120 6.526 6.397 1.630 1.00 44.20 H new ATOM 0 HE1 HIS A 120 2.764 4.851 2.775 1.00 1.31 H new ATOM 1083 N ASN A 121 6.600 9.253 -0.737 1.00 54.11 N ATOM 1084 CA ASN A 121 7.571 10.245 -0.194 1.00 41.12 C ATOM 1085 C ASN A 121 7.185 11.686 -0.522 1.00 73.30 C ATOM 1086 O ASN A 121 7.737 12.636 -0.003 1.00 34.40 O ATOM 1087 CB ASN A 121 9.001 9.918 -0.593 1.00 25.22 C ATOM 1088 CG ASN A 121 9.216 9.766 -2.074 1.00 42.43 C ATOM 1089 OD1 ASN A 121 8.313 9.459 -2.834 1.00 64.30 O ATOM 1090 ND2 ASN A 121 10.416 9.874 -2.471 1.00 53.33 N ATOM 0 H ASN A 121 6.988 8.671 -1.479 1.00 54.11 H new ATOM 0 HA ASN A 121 7.524 10.164 0.892 1.00 41.12 H new ATOM 0 HB2 ASN A 121 9.657 10.705 -0.222 1.00 25.22 H new ATOM 0 HB3 ASN A 121 9.301 8.994 -0.098 1.00 25.22 H new ATOM 0 HD21 ASN A 121 10.647 9.702 -3.450 1.00 53.33 H new ATOM 0 HD22 ASN A 121 11.150 10.132 -1.812 1.00 53.33 H new ATOM 1097 N LEU A 122 6.319 11.825 -1.447 1.00 43.24 N ATOM 1098 CA LEU A 122 5.788 13.107 -1.810 1.00 23.13 C ATOM 1099 C LEU A 122 4.727 13.547 -0.769 1.00 61.51 C ATOM 1100 O LEU A 122 4.817 14.622 -0.184 1.00 55.30 O ATOM 1101 CB LEU A 122 5.215 13.018 -3.252 1.00 51.23 C ATOM 1102 CG LEU A 122 4.096 13.984 -3.661 1.00 52.20 C ATOM 1103 CD1 LEU A 122 4.523 15.443 -3.527 1.00 72.31 C ATOM 1104 CD2 LEU A 122 3.661 13.701 -5.087 1.00 55.11 C ATOM 0 H LEU A 122 5.943 11.048 -1.991 1.00 43.24 H new ATOM 0 HA LEU A 122 6.568 13.869 -1.806 1.00 23.13 H new ATOM 0 HB2 LEU A 122 6.043 13.159 -3.946 1.00 51.23 H new ATOM 0 HB3 LEU A 122 4.846 12.003 -3.399 1.00 51.23 H new ATOM 0 HG LEU A 122 3.258 13.822 -2.983 1.00 52.20 H new ATOM 0 HD11 LEU A 122 3.700 16.092 -3.827 1.00 72.31 H new ATOM 0 HD12 LEU A 122 4.789 15.650 -2.491 1.00 72.31 H new ATOM 0 HD13 LEU A 122 5.385 15.630 -4.168 1.00 72.31 H new ATOM 0 HD21 LEU A 122 2.866 14.392 -5.369 1.00 55.11 H new ATOM 0 HD22 LEU A 122 4.510 13.831 -5.759 1.00 55.11 H new ATOM 0 HD23 LEU A 122 3.294 12.677 -5.159 1.00 55.11 H new ATOM 1116 N LYS A 123 3.758 12.694 -0.523 1.00 41.42 N ATOM 1117 CA LYS A 123 2.633 13.037 0.344 1.00 21.50 C ATOM 1118 C LYS A 123 2.660 12.365 1.720 1.00 34.33 C ATOM 1119 O LYS A 123 2.318 12.971 2.732 1.00 72.12 O ATOM 1120 CB LYS A 123 1.291 12.826 -0.395 1.00 42.04 C ATOM 1121 CG LYS A 123 1.353 11.826 -1.544 1.00 63.32 C ATOM 1122 CD LYS A 123 0.123 11.854 -2.438 1.00 51.14 C ATOM 1123 CE LYS A 123 -1.166 11.617 -1.680 1.00 41.33 C ATOM 1124 NZ LYS A 123 -2.322 11.475 -2.590 1.00 42.53 N ATOM 0 H LYS A 123 3.719 11.751 -0.909 1.00 41.42 H new ATOM 0 HA LYS A 123 2.738 14.098 0.570 1.00 21.50 H new ATOM 0 HB2 LYS A 123 0.544 12.489 0.324 1.00 42.04 H new ATOM 0 HB3 LYS A 123 0.950 13.786 -0.783 1.00 42.04 H new ATOM 0 HG2 LYS A 123 2.236 12.033 -2.148 1.00 63.32 H new ATOM 0 HG3 LYS A 123 1.473 10.822 -1.136 1.00 63.32 H new ATOM 0 HD2 LYS A 123 0.069 12.819 -2.942 1.00 51.14 H new ATOM 0 HD3 LYS A 123 0.227 11.095 -3.213 1.00 51.14 H new ATOM 0 HE2 LYS A 123 -1.070 10.717 -1.072 1.00 41.33 H new ATOM 0 HE3 LYS A 123 -1.343 12.447 -0.995 1.00 41.33 H new ATOM 0 HZ1 LYS A 123 -3.078 12.126 -2.295 1.00 42.53 H new ATOM 0 HZ2 LYS A 123 -2.029 11.702 -3.562 1.00 42.53 H new ATOM 0 HZ3 LYS A 123 -2.674 10.497 -2.555 1.00 42.53 H new ATOM 1138 N TYR A 124 3.058 11.144 1.733 1.00 70.11 N ATOM 1139 CA TYR A 124 3.082 10.319 2.943 1.00 71.14 C ATOM 1140 C TYR A 124 4.379 10.530 3.726 1.00 61.15 C ATOM 1141 O TYR A 124 4.345 10.817 4.912 1.00 12.33 O ATOM 1142 CB TYR A 124 2.952 8.841 2.577 1.00 64.04 C ATOM 1143 CG TYR A 124 1.658 8.437 1.902 1.00 72.43 C ATOM 1144 CD1 TYR A 124 1.282 8.993 0.691 1.00 33.05 C ATOM 1145 CD2 TYR A 124 0.822 7.488 2.466 1.00 13.23 C ATOM 1146 CE1 TYR A 124 0.129 8.627 0.071 1.00 0.03 C ATOM 1147 CE2 TYR A 124 -0.343 7.120 1.836 1.00 23.13 C ATOM 1148 CZ TYR A 124 -0.680 7.693 0.645 1.00 42.04 C ATOM 1149 OH TYR A 124 -1.842 7.338 0.039 1.00 24.22 O ATOM 0 H TYR A 124 3.388 10.657 0.900 1.00 70.11 H new ATOM 0 HA TYR A 124 2.240 10.619 3.567 1.00 71.14 H new ATOM 0 HB2 TYR A 124 3.780 8.575 1.920 1.00 64.04 H new ATOM 0 HB3 TYR A 124 3.065 8.250 3.486 1.00 64.04 H new ATOM 0 HD1 TYR A 124 1.918 9.733 0.229 1.00 33.05 H new ATOM 0 HD2 TYR A 124 1.088 7.033 3.409 1.00 13.23 H new ATOM 0 HE1 TYR A 124 -0.145 9.075 -0.873 1.00 0.03 H new ATOM 0 HE2 TYR A 124 -0.990 6.379 2.283 1.00 23.13 H new ATOM 0 HH TYR A 124 -2.502 7.086 0.719 1.00 24.22 H new ATOM 1159 N HIS A 125 5.523 10.366 3.066 1.00 74.35 N ATOM 1160 CA HIS A 125 6.827 10.591 3.723 1.00 2.30 C ATOM 1161 C HIS A 125 7.566 11.772 3.065 1.00 33.40 C ATOM 1162 O HIS A 125 8.545 11.560 2.380 1.00 63.34 O ATOM 1163 CB HIS A 125 7.742 9.339 3.648 1.00 44.54 C ATOM 1164 CG HIS A 125 7.256 8.071 4.304 1.00 74.34 C ATOM 1165 ND1 HIS A 125 6.522 8.002 5.468 1.00 72.33 N ATOM 1166 CD2 HIS A 125 7.407 6.795 3.887 1.00 35.01 C ATOM 1167 CE1 HIS A 125 6.246 6.722 5.719 1.00 11.55 C ATOM 1168 NE2 HIS A 125 6.767 5.916 4.756 1.00 2.23 N ATOM 0 H HIS A 125 5.584 10.082 2.088 1.00 74.35 H new ATOM 0 HA HIS A 125 6.615 10.810 4.770 1.00 2.30 H new ATOM 0 HB2 HIS A 125 7.927 9.122 2.596 1.00 44.54 H new ATOM 0 HB3 HIS A 125 8.702 9.599 4.093 1.00 44.54 H new ATOM 0 HD1 HIS A 125 6.238 8.796 6.041 1.00 72.33 H new ATOM 0 HD2 HIS A 125 7.949 6.498 3.002 1.00 35.01 H new ATOM 0 HE1 HIS A 125 5.684 6.372 6.573 1.00 11.55 H new ATOM 1176 N PRO A 126 7.093 13.008 3.250 1.00 51.30 N ATOM 1177 CA PRO A 126 7.665 14.189 2.589 1.00 74.23 C ATOM 1178 C PRO A 126 8.992 14.654 3.179 1.00 3.42 C ATOM 1179 O PRO A 126 9.274 14.458 4.371 1.00 22.23 O ATOM 1180 CB PRO A 126 6.594 15.247 2.808 1.00 1.31 C ATOM 1181 CG PRO A 126 5.989 14.858 4.110 1.00 21.55 C ATOM 1182 CD PRO A 126 5.974 13.369 4.109 1.00 40.12 C ATOM 0 HA PRO A 126 7.902 13.980 1.546 1.00 74.23 H new ATOM 0 HB2 PRO A 126 7.021 16.249 2.846 1.00 1.31 H new ATOM 0 HB3 PRO A 126 5.857 15.245 2.005 1.00 1.31 H new ATOM 0 HG2 PRO A 126 6.572 15.245 4.946 1.00 21.55 H new ATOM 0 HG3 PRO A 126 4.981 15.261 4.211 1.00 21.55 H new ATOM 0 HD2 PRO A 126 6.097 12.968 5.115 1.00 40.12 H new ATOM 0 HD3 PRO A 126 5.032 12.979 3.723 1.00 40.12 H new ATOM 1190 N GLY A 127 9.800 15.272 2.341 1.00 13.01 N ATOM 1191 CA GLY A 127 11.068 15.819 2.770 1.00 3.15 C ATOM 1192 C GLY A 127 12.086 15.827 1.653 1.00 43.40 C ATOM 1193 O GLY A 127 12.798 16.811 1.454 1.00 10.13 O ATOM 0 H GLY A 127 9.597 15.408 1.351 1.00 13.01 H new ATOM 0 HA2 GLY A 127 10.920 16.836 3.134 1.00 3.15 H new ATOM 0 HA3 GLY A 127 11.451 15.234 3.606 1.00 3.15 H new ATOM 1197 N GLU A 128 12.128 14.742 0.917 1.00 51.45 N ATOM 1198 CA GLU A 128 13.047 14.540 -0.187 1.00 72.52 C ATOM 1199 C GLU A 128 12.465 13.460 -1.053 1.00 10.21 C ATOM 1200 O GLU A 128 11.422 12.906 -0.704 1.00 34.45 O ATOM 1201 CB GLU A 128 14.454 14.162 0.329 1.00 74.14 C ATOM 1202 CG GLU A 128 14.499 12.925 1.207 1.00 72.00 C ATOM 1203 CD GLU A 128 15.293 11.813 0.599 1.00 60.12 C ATOM 1204 OE1 GLU A 128 16.534 11.788 0.758 1.00 24.24 O ATOM 1205 OE2 GLU A 128 14.706 10.961 -0.065 1.00 2.33 O ATOM 0 H GLU A 128 11.506 13.949 1.072 1.00 51.45 H new ATOM 0 HA GLU A 128 13.170 15.457 -0.763 1.00 72.52 H new ATOM 0 HB2 GLU A 128 15.110 14.006 -0.527 1.00 74.14 H new ATOM 0 HB3 GLU A 128 14.858 15.004 0.891 1.00 74.14 H new ATOM 0 HG2 GLU A 128 14.929 13.186 2.174 1.00 72.00 H new ATOM 0 HG3 GLU A 128 13.482 12.580 1.393 1.00 72.00 H new ATOM 1212 N GLU A 129 13.070 13.163 -2.163 1.00 61.24 N ATOM 1213 CA GLU A 129 12.526 12.122 -2.985 1.00 14.50 C ATOM 1214 C GLU A 129 13.613 11.193 -3.450 1.00 41.13 C ATOM 1215 O GLU A 129 14.264 11.441 -4.477 1.00 32.51 O ATOM 1216 CB GLU A 129 11.829 12.723 -4.181 1.00 20.12 C ATOM 1217 CG GLU A 129 11.126 11.713 -5.060 1.00 22.24 C ATOM 1218 CD GLU A 129 10.551 12.326 -6.284 1.00 10.53 C ATOM 1219 OE1 GLU A 129 11.262 12.425 -7.293 1.00 54.34 O ATOM 1220 OE2 GLU A 129 9.381 12.727 -6.274 1.00 53.23 O ATOM 0 H GLU A 129 13.916 13.611 -2.515 1.00 61.24 H new ATOM 0 HA GLU A 129 11.808 11.554 -2.393 1.00 14.50 H new ATOM 0 HB2 GLU A 129 11.100 13.455 -3.833 1.00 20.12 H new ATOM 0 HB3 GLU A 129 12.561 13.263 -4.781 1.00 20.12 H new ATOM 0 HG2 GLU A 129 11.831 10.932 -5.346 1.00 22.24 H new ATOM 0 HG3 GLU A 129 10.331 11.232 -4.491 1.00 22.24 H new ATOM 1227 N ASN A 130 13.839 10.145 -2.693 1.00 60.21 N ATOM 1228 CA ASN A 130 14.854 9.160 -3.015 1.00 51.13 C ATOM 1229 C ASN A 130 14.428 7.817 -2.494 1.00 21.42 C ATOM 1230 O ASN A 130 14.636 7.487 -1.321 1.00 14.01 O ATOM 1231 CB ASN A 130 16.212 9.554 -2.389 1.00 32.14 C ATOM 1232 CG ASN A 130 16.741 10.872 -2.923 1.00 22.44 C ATOM 1233 OD1 ASN A 130 17.499 10.916 -3.895 1.00 31.53 O ATOM 1234 ND2 ASN A 130 16.310 11.958 -2.315 1.00 65.41 N ATOM 0 H ASN A 130 13.325 9.948 -1.834 1.00 60.21 H new ATOM 0 HA ASN A 130 14.971 9.116 -4.098 1.00 51.13 H new ATOM 0 HB2 ASN A 130 16.103 9.623 -1.307 1.00 32.14 H new ATOM 0 HB3 ASN A 130 16.941 8.768 -2.586 1.00 32.14 H new ATOM 0 HD21 ASN A 130 16.603 12.878 -2.645 1.00 65.41 H new ATOM 0 HD22 ASN A 130 15.684 11.879 -1.514 1.00 65.41 H new ATOM 1241 N PHE A 131 13.796 7.066 -3.338 1.00 61.14 N ATOM 1242 CA PHE A 131 13.348 5.746 -3.003 1.00 3.23 C ATOM 1243 C PHE A 131 14.216 4.708 -3.693 1.00 44.55 C ATOM 1244 O PHE A 131 14.592 4.871 -4.870 1.00 61.12 O ATOM 1245 CB PHE A 131 11.899 5.552 -3.407 1.00 24.21 C ATOM 1246 CG PHE A 131 10.893 5.549 -2.280 1.00 0.13 C ATOM 1247 CD1 PHE A 131 10.823 4.485 -1.417 1.00 31.25 C ATOM 1248 CD2 PHE A 131 9.981 6.566 -2.134 1.00 54.15 C ATOM 1249 CE1 PHE A 131 9.867 4.432 -0.426 1.00 44.34 C ATOM 1250 CE2 PHE A 131 9.008 6.514 -1.143 1.00 71.32 C ATOM 1251 CZ PHE A 131 8.952 5.443 -0.297 1.00 71.32 C ATOM 0 H PHE A 131 13.572 7.352 -4.291 1.00 61.14 H new ATOM 0 HA PHE A 131 13.429 5.622 -1.923 1.00 3.23 H new ATOM 0 HB2 PHE A 131 11.629 6.342 -4.107 1.00 24.21 H new ATOM 0 HB3 PHE A 131 11.816 4.608 -3.945 1.00 24.21 H new ATOM 0 HD1 PHE A 131 11.530 3.674 -1.516 1.00 31.25 H new ATOM 0 HD2 PHE A 131 10.021 7.417 -2.798 1.00 54.15 H new ATOM 0 HE1 PHE A 131 9.839 3.591 0.251 1.00 44.34 H new ATOM 0 HE2 PHE A 131 8.296 7.320 -1.042 1.00 71.32 H new ATOM 0 HZ PHE A 131 8.192 5.394 0.468 1.00 71.32 H new ATOM 1261 N LYS A 132 14.521 3.666 -2.981 1.00 65.54 N ATOM 1262 CA LYS A 132 15.363 2.598 -3.455 1.00 23.33 C ATOM 1263 C LYS A 132 14.486 1.367 -3.690 1.00 24.03 C ATOM 1264 O LYS A 132 13.361 1.322 -3.209 1.00 25.35 O ATOM 1265 CB LYS A 132 16.438 2.268 -2.408 1.00 41.30 C ATOM 1266 CG LYS A 132 16.036 1.172 -1.441 1.00 41.24 C ATOM 1267 CD LYS A 132 17.143 0.784 -0.514 1.00 10.24 C ATOM 1268 CE LYS A 132 16.806 -0.534 0.133 1.00 41.45 C ATOM 1269 NZ LYS A 132 17.823 -0.971 1.103 1.00 1.42 N ATOM 0 H LYS A 132 14.185 3.527 -2.028 1.00 65.54 H new ATOM 0 HA LYS A 132 15.857 2.898 -4.379 1.00 23.33 H new ATOM 0 HB2 LYS A 132 17.352 1.969 -2.921 1.00 41.30 H new ATOM 0 HB3 LYS A 132 16.670 3.171 -1.843 1.00 41.30 H new ATOM 0 HG2 LYS A 132 15.179 1.506 -0.856 1.00 41.24 H new ATOM 0 HG3 LYS A 132 15.716 0.296 -2.005 1.00 41.24 H new ATOM 0 HD2 LYS A 132 18.082 0.704 -1.062 1.00 10.24 H new ATOM 0 HD3 LYS A 132 17.282 1.552 0.247 1.00 10.24 H new ATOM 0 HE2 LYS A 132 15.843 -0.450 0.636 1.00 41.45 H new ATOM 0 HE3 LYS A 132 16.697 -1.295 -0.640 1.00 41.45 H new ATOM 0 HZ1 LYS A 132 17.539 -1.882 1.516 1.00 1.42 H new ATOM 0 HZ2 LYS A 132 18.738 -1.079 0.621 1.00 1.42 H new ATOM 0 HZ3 LYS A 132 17.911 -0.261 1.858 1.00 1.42 H new ATOM 1283 N LEU A 133 14.999 0.384 -4.375 1.00 23.33 N ATOM 1284 CA LEU A 133 14.241 -0.807 -4.660 1.00 21.24 C ATOM 1285 C LEU A 133 14.974 -2.008 -4.103 1.00 75.31 C ATOM 1286 O LEU A 133 16.195 -2.122 -4.237 1.00 12.32 O ATOM 1287 CB LEU A 133 13.961 -0.994 -6.176 1.00 13.35 C ATOM 1288 CG LEU A 133 15.178 -1.081 -7.118 1.00 53.41 C ATOM 1289 CD1 LEU A 133 14.760 -1.671 -8.454 1.00 31.41 C ATOM 1290 CD2 LEU A 133 15.776 0.294 -7.361 1.00 41.10 C ATOM 0 H LEU A 133 15.947 0.383 -4.750 1.00 23.33 H new ATOM 0 HA LEU A 133 13.268 -0.705 -4.179 1.00 21.24 H new ATOM 0 HB2 LEU A 133 13.374 -1.904 -6.300 1.00 13.35 H new ATOM 0 HB3 LEU A 133 13.337 -0.164 -6.508 1.00 13.35 H new ATOM 0 HG LEU A 133 15.924 -1.718 -6.642 1.00 53.41 H new ATOM 0 HD11 LEU A 133 15.626 -1.729 -9.113 1.00 31.41 H new ATOM 0 HD12 LEU A 133 14.354 -2.671 -8.299 1.00 31.41 H new ATOM 0 HD13 LEU A 133 13.999 -1.037 -8.909 1.00 31.41 H new ATOM 0 HD21 LEU A 133 16.633 0.205 -8.029 1.00 41.10 H new ATOM 0 HD22 LEU A 133 15.027 0.941 -7.817 1.00 41.10 H new ATOM 0 HD23 LEU A 133 16.098 0.724 -6.412 1.00 41.10 H new ATOM 1302 N THR A 134 14.262 -2.846 -3.435 1.00 14.30 N ATOM 1303 CA THR A 134 14.809 -4.040 -2.865 1.00 22.24 C ATOM 1304 C THR A 134 13.726 -5.107 -2.885 1.00 63.32 C ATOM 1305 O THR A 134 12.651 -4.894 -2.366 1.00 4.33 O ATOM 1306 CB THR A 134 15.327 -3.759 -1.405 1.00 44.41 C ATOM 1307 OG1 THR A 134 15.796 -4.949 -0.766 1.00 71.01 O ATOM 1308 CG2 THR A 134 14.265 -3.088 -0.535 1.00 3.10 C ATOM 0 H THR A 134 13.264 -2.724 -3.263 1.00 14.30 H new ATOM 0 HA THR A 134 15.666 -4.388 -3.443 1.00 22.24 H new ATOM 0 HB THR A 134 16.165 -3.071 -1.512 1.00 44.41 H new ATOM 0 HG1 THR A 134 16.110 -4.733 0.137 1.00 71.01 H new ATOM 0 HG21 THR A 134 14.668 -2.914 0.463 1.00 3.10 H new ATOM 0 HG22 THR A 134 13.978 -2.136 -0.981 1.00 3.10 H new ATOM 0 HG23 THR A 134 13.390 -3.735 -0.465 1.00 3.10 H new ATOM 1316 N MET A 135 13.941 -6.231 -3.514 1.00 61.55 N ATOM 1317 CA MET A 135 12.858 -7.174 -3.501 1.00 13.42 C ATOM 1318 C MET A 135 13.153 -8.192 -2.454 1.00 12.41 C ATOM 1319 O MET A 135 13.979 -9.071 -2.651 1.00 43.14 O ATOM 1320 CB MET A 135 12.795 -7.858 -4.875 1.00 41.43 C ATOM 1321 CG MET A 135 11.662 -8.857 -5.093 1.00 25.23 C ATOM 1322 SD MET A 135 11.776 -9.632 -6.733 1.00 33.25 S ATOM 1323 CE MET A 135 10.282 -10.623 -6.781 1.00 65.32 C ATOM 0 H MET A 135 14.791 -6.504 -4.008 1.00 61.55 H new ATOM 0 HA MET A 135 11.908 -6.682 -3.292 1.00 13.42 H new ATOM 0 HB2 MET A 135 12.716 -7.083 -5.637 1.00 41.43 H new ATOM 0 HB3 MET A 135 13.740 -8.374 -5.042 1.00 41.43 H new ATOM 0 HG2 MET A 135 11.698 -9.626 -4.321 1.00 25.23 H new ATOM 0 HG3 MET A 135 10.702 -8.350 -4.993 1.00 25.23 H new ATOM 0 HE1 MET A 135 9.977 -10.771 -7.817 1.00 65.32 H new ATOM 0 HE2 MET A 135 10.472 -11.591 -6.316 1.00 65.32 H new ATOM 0 HE3 MET A 135 9.488 -10.110 -6.239 1.00 65.32 H new ATOM 1333 N VAL A 136 12.474 -8.073 -1.352 1.00 52.34 N ATOM 1334 CA VAL A 136 12.523 -9.028 -0.282 1.00 71.22 C ATOM 1335 C VAL A 136 11.215 -9.057 0.426 1.00 43.14 C ATOM 1336 O VAL A 136 10.879 -8.131 1.082 1.00 33.15 O ATOM 1337 CB VAL A 136 13.671 -8.757 0.744 1.00 21.51 C ATOM 1338 CG1 VAL A 136 14.958 -9.401 0.280 1.00 55.32 C ATOM 1339 CG2 VAL A 136 13.891 -7.255 0.931 1.00 42.13 C ATOM 0 H VAL A 136 11.852 -7.286 -1.166 1.00 52.34 H new ATOM 0 HA VAL A 136 12.734 -9.995 -0.738 1.00 71.22 H new ATOM 0 HB VAL A 136 13.375 -9.192 1.699 1.00 21.51 H new ATOM 0 HG11 VAL A 136 15.747 -9.202 1.006 1.00 55.32 H new ATOM 0 HG12 VAL A 136 14.813 -10.477 0.187 1.00 55.32 H new ATOM 0 HG13 VAL A 136 15.243 -8.988 -0.688 1.00 55.32 H new ATOM 0 HG21 VAL A 136 14.694 -7.092 1.649 1.00 42.13 H new ATOM 0 HG22 VAL A 136 14.161 -6.805 -0.024 1.00 42.13 H new ATOM 0 HG23 VAL A 136 12.974 -6.796 1.302 1.00 42.13 H new ATOM 1349 N LYS A 137 10.472 -10.053 0.289 1.00 10.34 N ATOM 1350 CA LYS A 137 9.314 -10.135 1.101 1.00 23.21 C ATOM 1351 C LYS A 137 9.212 -11.551 1.523 1.00 11.41 C ATOM 1352 O LYS A 137 8.978 -12.432 0.710 1.00 15.24 O ATOM 1353 CB LYS A 137 8.097 -9.638 0.376 1.00 42.11 C ATOM 1354 CG LYS A 137 6.912 -9.217 1.239 1.00 65.44 C ATOM 1355 CD LYS A 137 7.180 -7.887 1.951 1.00 22.14 C ATOM 1356 CE LYS A 137 5.882 -7.207 2.401 1.00 44.44 C ATOM 1357 NZ LYS A 137 5.213 -7.897 3.521 1.00 64.13 N ATOM 0 H LYS A 137 10.621 -10.825 -0.361 1.00 10.34 H new ATOM 0 HA LYS A 137 9.385 -9.491 1.977 1.00 23.21 H new ATOM 0 HB2 LYS A 137 8.390 -8.787 -0.238 1.00 42.11 H new ATOM 0 HB3 LYS A 137 7.762 -10.421 -0.304 1.00 42.11 H new ATOM 0 HG2 LYS A 137 6.022 -9.125 0.617 1.00 65.44 H new ATOM 0 HG3 LYS A 137 6.705 -9.991 1.978 1.00 65.44 H new ATOM 0 HD2 LYS A 137 7.818 -8.061 2.818 1.00 22.14 H new ATOM 0 HD3 LYS A 137 7.726 -7.221 1.283 1.00 22.14 H new ATOM 0 HE2 LYS A 137 6.102 -6.181 2.696 1.00 44.44 H new ATOM 0 HE3 LYS A 137 5.196 -7.155 1.555 1.00 44.44 H new ATOM 0 HZ1 LYS A 137 4.432 -7.308 3.874 1.00 64.13 H new ATOM 0 HZ2 LYS A 137 4.838 -8.809 3.192 1.00 64.13 H new ATOM 0 HZ3 LYS A 137 5.897 -8.060 4.287 1.00 64.13 H new ATOM 1371 N ARG A 138 9.467 -11.780 2.728 1.00 3.31 N ATOM 1372 CA ARG A 138 9.525 -13.097 3.238 1.00 63.30 C ATOM 1373 C ARG A 138 8.277 -13.299 4.069 1.00 30.41 C ATOM 1374 O ARG A 138 7.684 -12.317 4.512 1.00 25.32 O ATOM 1375 CB ARG A 138 10.805 -13.213 4.070 1.00 13.33 C ATOM 1376 CG ARG A 138 12.024 -12.702 3.369 1.00 73.14 C ATOM 1377 CD ARG A 138 12.525 -13.607 2.327 1.00 51.35 C ATOM 1378 NE ARG A 138 13.197 -14.793 2.866 1.00 5.05 N ATOM 1379 CZ ARG A 138 14.280 -15.364 2.313 1.00 12.04 C ATOM 1380 NH1 ARG A 138 14.797 -14.875 1.183 1.00 21.41 N ATOM 1381 NH2 ARG A 138 14.849 -16.409 2.887 1.00 1.50 N ATOM 0 H ARG A 138 9.648 -11.052 3.419 1.00 3.31 H new ATOM 0 HA ARG A 138 9.557 -13.862 2.463 1.00 63.30 H new ATOM 0 HB2 ARG A 138 10.674 -12.662 5.001 1.00 13.33 H new ATOM 0 HB3 ARG A 138 10.961 -14.258 4.337 1.00 13.33 H new ATOM 0 HG2 ARG A 138 11.796 -11.735 2.920 1.00 73.14 H new ATOM 0 HG3 ARG A 138 12.812 -12.535 4.103 1.00 73.14 H new ATOM 0 HD2 ARG A 138 11.692 -13.923 1.699 1.00 51.35 H new ATOM 0 HD3 ARG A 138 13.219 -13.064 1.686 1.00 51.35 H new ATOM 0 HE ARG A 138 12.818 -15.212 3.715 1.00 5.05 H new ATOM 0 HH11 ARG A 138 14.369 -14.064 0.736 1.00 21.41 H new ATOM 0 HH12 ARG A 138 15.619 -15.312 0.767 1.00 21.41 H new ATOM 0 HH21 ARG A 138 14.466 -16.786 3.754 1.00 1.50 H new ATOM 0 HH22 ARG A 138 15.671 -16.839 2.463 1.00 1.50 H new ATOM 1395 N ASN A 139 7.835 -14.542 4.182 1.00 32.25 N ATOM 1396 CA ASN A 139 6.640 -14.941 4.963 1.00 64.52 C ATOM 1397 C ASN A 139 5.334 -14.728 4.179 1.00 51.34 C ATOM 1398 O ASN A 139 4.272 -15.217 4.560 1.00 31.11 O ATOM 1399 CB ASN A 139 6.616 -14.283 6.384 1.00 20.44 C ATOM 1400 CG ASN A 139 5.393 -14.617 7.233 1.00 51.04 C ATOM 1401 OD1 ASN A 139 4.391 -13.891 7.226 1.00 71.44 O ATOM 1402 ND2 ASN A 139 5.463 -15.708 7.957 1.00 13.21 N ATOM 0 H ASN A 139 8.297 -15.330 3.729 1.00 32.25 H new ATOM 0 HA ASN A 139 6.716 -16.015 5.131 1.00 64.52 H new ATOM 0 HB2 ASN A 139 7.510 -14.592 6.925 1.00 20.44 H new ATOM 0 HB3 ASN A 139 6.673 -13.201 6.267 1.00 20.44 H new ATOM 0 HD21 ASN A 139 4.674 -15.984 8.541 1.00 13.21 H new ATOM 0 HD22 ASN A 139 6.307 -16.281 7.936 1.00 13.21 H new ATOM 1409 N ASN A 140 5.423 -14.090 3.032 1.00 15.40 N ATOM 1410 CA ASN A 140 4.223 -13.811 2.245 1.00 4.43 C ATOM 1411 C ASN A 140 4.435 -14.210 0.799 1.00 3.11 C ATOM 1412 O ASN A 140 3.996 -15.270 0.361 1.00 20.24 O ATOM 1413 CB ASN A 140 3.808 -12.318 2.304 1.00 11.34 C ATOM 1414 CG ASN A 140 3.557 -11.774 3.690 1.00 31.23 C ATOM 1415 OD1 ASN A 140 2.453 -11.887 4.231 1.00 53.32 O ATOM 1416 ND2 ASN A 140 4.543 -11.108 4.249 1.00 3.33 N ATOM 0 H ASN A 140 6.295 -13.756 2.622 1.00 15.40 H new ATOM 0 HA ASN A 140 3.419 -14.401 2.684 1.00 4.43 H new ATOM 0 HB2 ASN A 140 4.589 -11.722 1.833 1.00 11.34 H new ATOM 0 HB3 ASN A 140 2.904 -12.185 1.710 1.00 11.34 H new ATOM 0 HD21 ASN A 140 4.408 -10.665 5.158 1.00 3.33 H new ATOM 0 HD22 ASN A 140 5.443 -11.034 3.774 1.00 3.33 H new ATOM 1423 N GLN A 141 5.140 -13.372 0.080 1.00 43.42 N ATOM 1424 CA GLN A 141 5.435 -13.558 -1.315 1.00 24.13 C ATOM 1425 C GLN A 141 6.557 -12.657 -1.611 1.00 15.12 C ATOM 1426 O GLN A 141 6.746 -11.731 -0.880 1.00 50.11 O ATOM 1427 CB GLN A 141 4.262 -13.133 -2.202 1.00 11.22 C ATOM 1428 CG GLN A 141 3.975 -11.623 -2.319 1.00 41.13 C ATOM 1429 CD GLN A 141 3.358 -10.995 -1.103 1.00 32.21 C ATOM 1430 OE1 GLN A 141 2.159 -10.952 -0.960 1.00 62.45 O ATOM 1431 NE2 GLN A 141 4.168 -10.465 -0.247 1.00 4.10 N ATOM 0 H GLN A 141 5.536 -12.514 0.464 1.00 43.42 H new ATOM 0 HA GLN A 141 5.649 -14.609 -1.510 1.00 24.13 H new ATOM 0 HB2 GLN A 141 4.440 -13.521 -3.205 1.00 11.22 H new ATOM 0 HB3 GLN A 141 3.362 -13.619 -1.827 1.00 11.22 H new ATOM 0 HG2 GLN A 141 4.910 -11.108 -2.540 1.00 41.13 H new ATOM 0 HG3 GLN A 141 3.312 -11.460 -3.169 1.00 41.13 H new ATOM 0 HE21 GLN A 141 5.175 -10.519 -0.397 1.00 4.10 H new ATOM 0 HE22 GLN A 141 3.800 -9.993 0.579 1.00 4.10 H new ATOM 1440 N THR A 142 7.235 -12.850 -2.678 1.00 32.02 N ATOM 1441 CA THR A 142 8.307 -11.974 -3.008 1.00 31.11 C ATOM 1442 C THR A 142 7.854 -10.867 -3.953 1.00 15.04 C ATOM 1443 O THR A 142 7.507 -11.091 -5.095 1.00 21.32 O ATOM 1444 CB THR A 142 9.543 -12.727 -3.514 1.00 23.12 C ATOM 1445 OG1 THR A 142 9.142 -13.812 -4.383 1.00 41.54 O ATOM 1446 CG2 THR A 142 10.379 -13.244 -2.329 1.00 61.51 C ATOM 0 H THR A 142 7.072 -13.606 -3.343 1.00 32.02 H new ATOM 0 HA THR A 142 8.621 -11.485 -2.086 1.00 31.11 H new ATOM 0 HB THR A 142 10.166 -12.042 -4.089 1.00 23.12 H new ATOM 0 HG1 THR A 142 9.938 -14.286 -4.703 1.00 41.54 H new ATOM 0 HG21 THR A 142 11.253 -13.776 -2.705 1.00 61.51 H new ATOM 0 HG22 THR A 142 10.703 -12.402 -1.717 1.00 61.51 H new ATOM 0 HG23 THR A 142 9.774 -13.920 -1.725 1.00 61.51 H new ATOM 1454 N ILE A 143 7.839 -9.695 -3.400 1.00 54.44 N ATOM 1455 CA ILE A 143 7.392 -8.458 -3.984 1.00 62.23 C ATOM 1456 C ILE A 143 8.445 -7.391 -3.767 1.00 44.31 C ATOM 1457 O ILE A 143 9.293 -7.552 -2.881 1.00 64.15 O ATOM 1458 CB ILE A 143 5.967 -8.020 -3.541 1.00 62.12 C ATOM 1459 CG1 ILE A 143 5.778 -8.122 -2.058 1.00 4.21 C ATOM 1460 CG2 ILE A 143 4.885 -8.773 -4.273 1.00 10.22 C ATOM 1461 CD1 ILE A 143 6.441 -7.011 -1.314 1.00 33.31 C ATOM 0 H ILE A 143 8.167 -9.562 -2.443 1.00 54.44 H new ATOM 0 HA ILE A 143 7.277 -8.621 -5.056 1.00 62.23 H new ATOM 0 HB ILE A 143 5.877 -6.968 -3.813 1.00 62.12 H new ATOM 0 HG12 ILE A 143 4.712 -8.120 -1.831 1.00 4.21 H new ATOM 0 HG13 ILE A 143 6.176 -9.075 -1.710 1.00 4.21 H new ATOM 0 HG21 ILE A 143 3.908 -8.432 -3.929 1.00 10.22 H new ATOM 0 HG22 ILE A 143 4.976 -8.592 -5.344 1.00 10.22 H new ATOM 0 HG23 ILE A 143 4.987 -9.840 -4.076 1.00 10.22 H new ATOM 0 HD11 ILE A 143 6.271 -7.137 -0.245 1.00 33.31 H new ATOM 0 HD12 ILE A 143 7.512 -7.027 -1.515 1.00 33.31 H new ATOM 0 HD13 ILE A 143 6.025 -6.057 -1.638 1.00 33.31 H new ATOM 1473 N PHE A 144 8.461 -6.380 -4.578 1.00 1.11 N ATOM 1474 CA PHE A 144 9.532 -5.420 -4.564 1.00 14.53 C ATOM 1475 C PHE A 144 9.205 -4.342 -3.560 1.00 23.24 C ATOM 1476 O PHE A 144 8.159 -3.690 -3.626 1.00 73.00 O ATOM 1477 CB PHE A 144 9.619 -4.741 -5.935 1.00 61.53 C ATOM 1478 CG PHE A 144 9.922 -5.637 -7.091 1.00 62.14 C ATOM 1479 CD1 PHE A 144 8.902 -6.252 -7.803 1.00 33.52 C ATOM 1480 CD2 PHE A 144 11.224 -5.844 -7.484 1.00 2.42 C ATOM 1481 CE1 PHE A 144 9.182 -7.060 -8.886 1.00 75.40 C ATOM 1482 CE2 PHE A 144 11.516 -6.654 -8.564 1.00 34.02 C ATOM 1483 CZ PHE A 144 10.492 -7.261 -9.268 1.00 30.31 C ATOM 0 H PHE A 144 7.735 -6.192 -5.270 1.00 1.11 H new ATOM 0 HA PHE A 144 10.466 -5.926 -4.317 1.00 14.53 H new ATOM 0 HB2 PHE A 144 8.672 -4.237 -6.130 1.00 61.53 H new ATOM 0 HB3 PHE A 144 10.387 -3.969 -5.888 1.00 61.53 H new ATOM 0 HD1 PHE A 144 7.876 -6.096 -7.506 1.00 33.52 H new ATOM 0 HD2 PHE A 144 12.027 -5.368 -6.942 1.00 2.42 H new ATOM 0 HE1 PHE A 144 8.379 -7.533 -9.432 1.00 75.40 H new ATOM 0 HE2 PHE A 144 12.543 -6.813 -8.858 1.00 34.02 H new ATOM 0 HZ PHE A 144 10.718 -7.891 -10.115 1.00 30.31 H new ATOM 1493 N GLU A 145 10.084 -4.192 -2.610 1.00 43.11 N ATOM 1494 CA GLU A 145 9.925 -3.259 -1.569 1.00 72.05 C ATOM 1495 C GLU A 145 10.651 -1.993 -1.953 1.00 63.03 C ATOM 1496 O GLU A 145 11.692 -2.041 -2.627 1.00 72.11 O ATOM 1497 CB GLU A 145 10.496 -3.805 -0.262 1.00 3.05 C ATOM 1498 CG GLU A 145 10.011 -5.167 0.166 1.00 74.24 C ATOM 1499 CD GLU A 145 10.201 -5.355 1.660 1.00 51.55 C ATOM 1500 OE1 GLU A 145 11.352 -5.576 2.106 1.00 51.32 O ATOM 1501 OE2 GLU A 145 9.191 -5.231 2.434 1.00 13.12 O ATOM 0 H GLU A 145 10.945 -4.735 -2.551 1.00 43.11 H new ATOM 0 HA GLU A 145 8.864 -3.060 -1.417 1.00 72.05 H new ATOM 0 HB2 GLU A 145 11.582 -3.842 -0.353 1.00 3.05 H new ATOM 0 HB3 GLU A 145 10.267 -3.096 0.533 1.00 3.05 H new ATOM 0 HG2 GLU A 145 8.958 -5.281 -0.090 1.00 74.24 H new ATOM 0 HG3 GLU A 145 10.556 -5.940 -0.376 1.00 74.24 H new ATOM 1508 N GLN A 146 10.120 -0.881 -1.567 1.00 41.53 N ATOM 1509 CA GLN A 146 10.718 0.372 -1.899 1.00 73.11 C ATOM 1510 C GLN A 146 11.010 1.125 -0.589 1.00 73.14 C ATOM 1511 O GLN A 146 10.072 1.449 0.164 1.00 70.03 O ATOM 1512 CB GLN A 146 9.744 1.145 -2.817 1.00 62.11 C ATOM 1513 CG GLN A 146 10.428 2.159 -3.707 1.00 75.21 C ATOM 1514 CD GLN A 146 9.492 2.879 -4.656 1.00 51.14 C ATOM 1515 OE1 GLN A 146 9.268 2.453 -5.768 1.00 74.33 O ATOM 1516 NE2 GLN A 146 8.952 3.985 -4.232 1.00 73.24 N ATOM 0 H GLN A 146 9.264 -0.813 -1.016 1.00 41.53 H new ATOM 0 HA GLN A 146 11.659 0.250 -2.435 1.00 73.11 H new ATOM 0 HB2 GLN A 146 9.203 0.433 -3.440 1.00 62.11 H new ATOM 0 HB3 GLN A 146 9.004 1.655 -2.200 1.00 62.11 H new ATOM 0 HG2 GLN A 146 10.931 2.896 -3.081 1.00 75.21 H new ATOM 0 HG3 GLN A 146 11.200 1.655 -4.288 1.00 75.21 H new ATOM 0 HE21 GLN A 146 9.155 4.324 -3.292 1.00 73.24 H new ATOM 0 HE22 GLN A 146 8.325 4.512 -4.840 1.00 73.24 H new ATOM 1525 N THR A 147 12.296 1.325 -0.273 1.00 31.40 N ATOM 1526 CA THR A 147 12.711 1.987 0.978 1.00 53.03 C ATOM 1527 C THR A 147 13.349 3.320 0.675 1.00 42.12 C ATOM 1528 O THR A 147 13.785 3.561 -0.441 1.00 71.13 O ATOM 1529 CB THR A 147 13.741 1.135 1.746 1.00 15.02 C ATOM 1530 OG1 THR A 147 13.937 -0.121 1.071 1.00 2.43 O ATOM 1531 CG2 THR A 147 13.268 0.866 3.156 1.00 52.51 C ATOM 0 H THR A 147 13.073 1.037 -0.868 1.00 31.40 H new ATOM 0 HA THR A 147 11.816 2.117 1.587 1.00 53.03 H new ATOM 0 HB THR A 147 14.679 1.688 1.784 1.00 15.02 H new ATOM 0 HG1 THR A 147 14.124 -0.821 1.731 1.00 2.43 H new ATOM 0 HG21 THR A 147 14.010 0.263 3.680 1.00 52.51 H new ATOM 0 HG22 THR A 147 13.132 1.812 3.681 1.00 52.51 H new ATOM 0 HG23 THR A 147 12.320 0.329 3.126 1.00 52.51 H new ATOM 1539 N ILE A 148 13.406 4.167 1.646 1.00 75.04 N ATOM 1540 CA ILE A 148 13.978 5.474 1.489 1.00 12.15 C ATOM 1541 C ILE A 148 15.295 5.520 2.228 1.00 70.02 C ATOM 1542 O ILE A 148 15.545 4.728 3.129 1.00 30.12 O ATOM 1543 CB ILE A 148 13.037 6.540 2.069 1.00 23.33 C ATOM 1544 CG1 ILE A 148 11.625 6.211 1.626 1.00 4.11 C ATOM 1545 CG2 ILE A 148 13.438 7.895 1.506 1.00 45.23 C ATOM 1546 CD1 ILE A 148 10.514 6.826 2.414 1.00 40.40 C ATOM 0 H ILE A 148 13.055 3.976 2.584 1.00 75.04 H new ATOM 0 HA ILE A 148 14.130 5.676 0.429 1.00 12.15 H new ATOM 0 HB ILE A 148 13.095 6.561 3.157 1.00 23.33 H new ATOM 0 HG12 ILE A 148 11.515 6.517 0.586 1.00 4.11 H new ATOM 0 HG13 ILE A 148 11.503 5.128 1.654 1.00 4.11 H new ATOM 0 HG21 ILE A 148 12.780 8.665 1.908 1.00 45.23 H new ATOM 0 HG22 ILE A 148 14.468 8.115 1.787 1.00 45.23 H new ATOM 0 HG23 ILE A 148 13.354 7.877 0.419 1.00 45.23 H new ATOM 0 HD11 ILE A 148 9.556 6.514 1.998 1.00 40.40 H new ATOM 0 HD12 ILE A 148 10.581 6.501 3.452 1.00 40.40 H new ATOM 0 HD13 ILE A 148 10.593 7.912 2.368 1.00 40.40 H new ATOM 1558 N ASN A 149 16.148 6.394 1.806 1.00 31.11 N ATOM 1559 CA ASN A 149 17.452 6.584 2.425 1.00 51.44 C ATOM 1560 C ASN A 149 17.392 7.685 3.479 1.00 25.31 C ATOM 1561 O ASN A 149 18.415 8.085 4.035 1.00 45.41 O ATOM 1562 CB ASN A 149 18.502 6.950 1.347 1.00 43.43 C ATOM 1563 CG ASN A 149 18.313 8.297 0.650 1.00 72.22 C ATOM 1564 OD1 ASN A 149 19.275 8.889 0.162 1.00 22.51 O ATOM 1565 ND2 ASN A 149 17.128 8.822 0.641 1.00 54.11 N ATOM 0 H ASN A 149 15.973 7.012 1.013 1.00 31.11 H new ATOM 0 HA ASN A 149 17.742 5.652 2.910 1.00 51.44 H new ATOM 0 HB2 ASN A 149 19.488 6.940 1.812 1.00 43.43 H new ATOM 0 HB3 ASN A 149 18.500 6.168 0.588 1.00 43.43 H new ATOM 0 HD21 ASN A 149 16.981 9.741 0.224 1.00 54.11 H new ATOM 0 HD22 ASN A 149 16.343 8.316 1.050 1.00 54.11 H new ATOM 1572 N ASP A 150 16.197 8.147 3.780 1.00 60.55 N ATOM 1573 CA ASP A 150 16.064 9.313 4.625 1.00 30.11 C ATOM 1574 C ASP A 150 14.737 9.352 5.328 1.00 63.55 C ATOM 1575 O ASP A 150 14.662 9.354 6.542 1.00 13.31 O ATOM 1576 CB ASP A 150 16.169 10.527 3.753 1.00 75.33 C ATOM 1577 CG ASP A 150 16.268 11.812 4.545 1.00 23.42 C ATOM 1578 OD1 ASP A 150 15.232 12.387 4.899 1.00 44.11 O ATOM 1579 OD2 ASP A 150 17.395 12.265 4.809 1.00 2.44 O ATOM 0 H ASP A 150 15.318 7.741 3.459 1.00 60.55 H new ATOM 0 HA ASP A 150 16.847 9.281 5.383 1.00 30.11 H new ATOM 0 HB2 ASP A 150 17.045 10.433 3.111 1.00 75.33 H new ATOM 0 HB3 ASP A 150 15.298 10.575 3.099 1.00 75.33 H new ATOM 1584 N LEU A 151 13.694 9.319 4.539 1.00 72.41 N ATOM 1585 CA LEU A 151 12.299 9.454 4.989 1.00 25.40 C ATOM 1586 C LEU A 151 11.775 8.129 5.544 1.00 43.12 C ATOM 1587 O LEU A 151 10.580 7.871 5.568 1.00 45.25 O ATOM 1588 CB LEU A 151 11.483 9.839 3.793 1.00 65.31 C ATOM 1589 CG LEU A 151 12.012 10.987 2.966 1.00 12.40 C ATOM 1590 CD1 LEU A 151 11.552 10.825 1.548 1.00 61.04 C ATOM 1591 CD2 LEU A 151 11.505 12.285 3.500 1.00 23.34 C ATOM 0 H LEU A 151 13.776 9.194 3.530 1.00 72.41 H new ATOM 0 HA LEU A 151 12.235 10.202 5.779 1.00 25.40 H new ATOM 0 HB2 LEU A 151 11.389 8.966 3.147 1.00 65.31 H new ATOM 0 HB3 LEU A 151 10.479 10.095 4.131 1.00 65.31 H new ATOM 0 HG LEU A 151 13.101 10.985 3.010 1.00 12.40 H new ATOM 0 HD11 LEU A 151 11.931 11.651 0.946 1.00 61.04 H new ATOM 0 HD12 LEU A 151 11.928 9.883 1.149 1.00 61.04 H new ATOM 0 HD13 LEU A 151 10.462 10.823 1.517 1.00 61.04 H new ATOM 0 HD21 LEU A 151 11.894 13.104 2.895 1.00 23.34 H new ATOM 0 HD22 LEU A 151 10.416 12.293 3.464 1.00 23.34 H new ATOM 0 HD23 LEU A 151 11.835 12.408 4.532 1.00 23.34 H new ATOM 1603 N THR A 152 12.693 7.337 5.989 1.00 71.30 N ATOM 1604 CA THR A 152 12.490 6.024 6.552 1.00 42.21 C ATOM 1605 C THR A 152 11.634 6.079 7.856 1.00 44.21 C ATOM 1606 O THR A 152 10.986 5.085 8.248 1.00 44.12 O ATOM 1607 CB THR A 152 13.893 5.465 6.835 1.00 3.14 C ATOM 1608 OG1 THR A 152 14.675 5.656 5.641 1.00 13.20 O ATOM 1609 CG2 THR A 152 13.878 3.983 7.136 1.00 33.24 C ATOM 0 H THR A 152 13.678 7.600 5.972 1.00 71.30 H new ATOM 0 HA THR A 152 11.936 5.387 5.862 1.00 42.21 H new ATOM 0 HB THR A 152 14.299 5.981 7.705 1.00 3.14 H new ATOM 0 HG1 THR A 152 14.585 4.870 5.062 1.00 13.20 H new ATOM 0 HG21 THR A 152 14.895 3.640 7.328 1.00 33.24 H new ATOM 0 HG22 THR A 152 13.260 3.796 8.014 1.00 33.24 H new ATOM 0 HG23 THR A 152 13.468 3.443 6.283 1.00 33.24 H new ATOM 1617 N PHE A 153 11.635 7.243 8.492 1.00 3.13 N ATOM 1618 CA PHE A 153 10.866 7.507 9.717 1.00 73.24 C ATOM 1619 C PHE A 153 9.350 7.328 9.512 1.00 24.21 C ATOM 1620 O PHE A 153 8.842 7.350 8.372 1.00 24.43 O ATOM 1621 CB PHE A 153 11.166 8.925 10.241 1.00 43.21 C ATOM 1622 CG PHE A 153 10.890 10.043 9.252 1.00 44.54 C ATOM 1623 CD1 PHE A 153 9.625 10.610 9.142 1.00 52.25 C ATOM 1624 CD2 PHE A 153 11.901 10.531 8.444 1.00 31.42 C ATOM 1625 CE1 PHE A 153 9.379 11.629 8.244 1.00 11.51 C ATOM 1626 CE2 PHE A 153 11.661 11.555 7.547 1.00 43.01 C ATOM 1627 CZ PHE A 153 10.400 12.102 7.446 1.00 15.51 C ATOM 0 H PHE A 153 12.176 8.047 8.173 1.00 3.13 H new ATOM 0 HA PHE A 153 11.181 6.770 10.456 1.00 73.24 H new ATOM 0 HB2 PHE A 153 10.572 9.098 11.138 1.00 43.21 H new ATOM 0 HB3 PHE A 153 12.214 8.973 10.538 1.00 43.21 H new ATOM 0 HD1 PHE A 153 8.823 10.248 9.768 1.00 52.25 H new ATOM 0 HD2 PHE A 153 12.891 10.106 8.515 1.00 31.42 H new ATOM 0 HE1 PHE A 153 8.390 12.055 8.166 1.00 11.51 H new ATOM 0 HE2 PHE A 153 12.462 11.927 6.925 1.00 43.01 H new ATOM 0 HZ PHE A 153 10.211 12.900 6.743 1.00 15.51 H new TER 1637 PHE A 153 HETATM 1638 ZN ZN A 205 -6.800 -4.359 2.706 1.00 12.03 ZN HETATM 1639 ZN ZN A 305 5.968 4.460 3.865 1.00 33.34 ZN