USER MOD reduce.3.24.130724 H: found=0, std=0, add=1396, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1394 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 151 SER OG : rot 95:sc= 0.52 USER MOD Set 1.2: A 154 THR OG1 : rot 156:sc= -0.379 USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 32 LYS NZ :NH3+ 156:sc= -3.02! (180deg=-3.92!) USER MOD Set 4.1: A 16 HIS : no HD1:sc= -6.28! C(o=-18!,f=-18!) USER MOD Set 4.2: A 19 HIS : no HD1:sc= -8.03! C(o=-18!,f=-29!) USER MOD Set 4.3: A 93 MET CE :methyl -154:sc= -0.0845 (180deg=-0.558) USER MOD Set 4.4: A 96 THR OG1 : rot -166:sc= -3.17! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.342 X(o=-0.34,f=-0.16) USER MOD Single : A 4 MET CE :methyl 166:sc= -0.0571 (180deg=-0.387) USER MOD Single : A 12 THR OG1 : rot -123:sc= 1.2 USER MOD Single : A 14 MET CE :methyl 174:sc= -2.48! (180deg=-2.51!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.184 F(o=-0.79,f=-0.18) USER MOD Single : A 34 THR OG1 : rot 84:sc= 1.29 USER MOD Single : A 36 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.31) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 44 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.17) USER MOD Single : A 48 TYR OH : rot -140:sc= -1.36 USER MOD Single : A 49 GLN : amide:sc= -0.739 K(o=-0.74,f=-5.1!) USER MOD Single : A 51 THR OG1 : rot 178:sc= 1.2 USER MOD Single : A 53 ASN : amide:sc= -0.252 K(o=-0.25,f=-12!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -114:sc= -0.0258 (180deg=-0.147) USER MOD Single : A 58 THR OG1 : rot 180:sc= -1.95! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : +bothHN:sc= -3.84! C(o=-3.8!,f=-13!) USER MOD Single : A 71 MET CE :methyl 161:sc= -3.29! (180deg=-4.12!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 57:sc= 0.0521 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.484 F(o=-2.1,f=-0.48) USER MOD Single : A 101 ASN : amide:sc= -2.73! C(o=-2.7!,f=-2.7!) USER MOD Single : A 102 HIS : no HD1:sc= -1.58! C(o=-1.6!,f=-7.4!) USER MOD Single : A 104 LYS NZ :NH3+ -111:sc= 0.845 (180deg=0.16) USER MOD Single : A 107 ASN : amide:sc=-0.00126 K(o=-0.0013,f=-0.83) USER MOD Single : A 115 ASN : amide:sc= -5.98! C(o=-6!,f=-13!) USER MOD Single : A 116 LYS NZ :NH3+ -150:sc= 0.515 (180deg=-0.117) USER MOD Single : A 117 MET CE :methyl -114:sc= -2.12 (180deg=-6.24!) USER MOD Single : A 119 LYS NZ :NH3+ -140:sc= 1.21 (180deg=0.249) USER MOD Single : A 123 ASN :FLIP amide:sc= -1.01 F(o=-5.4!,f=-1) USER MOD Single : A 128 MET CE :methyl -118:sc= -3.87! (180deg=-9.62!) USER MOD Single : A 129 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 132 MET CE :methyl -147:sc= -0.2 (180deg=-1.35!) USER MOD Single : A 134 TYR OH : rot 180:sc= -0.0948 USER MOD Single : A 135 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.3) USER MOD Single : A 145 THR OG1 : rot -10:sc= 0.238 USER MOD Single : A 148 CYS SG : rot 100:sc= -1.89 USER MOD Single : A 149 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.19) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.08) USER MOD Single : A 160 HIS : no HD1:sc=-0.00202 X(o=-0.002,f=-0.0023) USER MOD Single : A 164 MET CE :methyl 140:sc= -2.99! (180deg=-5.63!) USER MOD Single : A 169 SER OG : rot 68:sc= 1.1 USER MOD Single : A 171 MET CE :methyl -115:sc= -6.68! (180deg=-7.1!) USER MOD Single : A 175 LYS NZ :NH3+ 167:sc=-0.000264 (180deg=-0.14) USER MOD Single : A 177 ASN : amide:sc= -0.506 K(o=-0.51,f=-3.5!) USER MOD Single : A 179 GDP O2' : rot 180:sc= 0 USER MOD Single : A 179 GDP O3' : rot 133:sc= 0.353 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.308 -8.177 -19.052 1.00 11.58 N ATOM 2 CA GLY A 1 -16.761 -8.356 -19.286 1.00 11.11 C ATOM 3 C GLY A 1 -17.588 -8.028 -18.060 1.00 10.21 C ATOM 4 O GLY A 1 -17.820 -6.853 -17.764 1.00 9.82 O ATOM 0 H1 GLY A 1 -14.785 -8.413 -19.919 1.00 11.58 H new ATOM 0 H2 GLY A 1 -15.118 -7.188 -18.792 1.00 11.58 H new ATOM 0 H3 GLY A 1 -15.001 -8.803 -18.281 1.00 11.58 H new ATOM 0 HA2 GLY A 1 -17.074 -7.719 -20.113 1.00 11.11 H new ATOM 0 HA3 GLY A 1 -16.954 -9.386 -19.586 1.00 11.11 H new ATOM 10 N SER A 2 -18.021 -9.065 -17.346 1.00 10.08 N ATOM 11 CA SER A 2 -18.855 -8.906 -16.157 1.00 9.47 C ATOM 12 C SER A 2 -20.165 -8.193 -16.501 1.00 8.68 C ATOM 13 O SER A 2 -20.441 -7.104 -15.995 1.00 8.69 O ATOM 14 CB SER A 2 -18.094 -8.130 -15.072 1.00 9.96 C ATOM 15 OG SER A 2 -16.805 -8.686 -14.853 1.00 10.61 O ATOM 0 H SER A 2 -17.805 -10.035 -17.574 1.00 10.08 H new ATOM 0 HA SER A 2 -19.097 -9.898 -15.775 1.00 9.47 H new ATOM 0 HB2 SER A 2 -17.997 -7.085 -15.368 1.00 9.96 H new ATOM 0 HB3 SER A 2 -18.663 -8.146 -14.142 1.00 9.96 H new ATOM 0 HG SER A 2 -16.341 -8.173 -14.159 1.00 10.61 H new ATOM 21 N HIS A 3 -20.974 -8.817 -17.358 1.00 8.25 N ATOM 22 CA HIS A 3 -22.236 -8.214 -17.802 1.00 7.71 C ATOM 23 C HIS A 3 -23.325 -8.338 -16.729 1.00 6.90 C ATOM 24 O HIS A 3 -24.437 -8.793 -16.991 1.00 6.93 O ATOM 25 CB HIS A 3 -22.705 -8.809 -19.148 1.00 8.30 C ATOM 26 CG HIS A 3 -23.067 -10.270 -19.133 1.00 8.89 C ATOM 27 ND1 HIS A 3 -24.348 -10.728 -19.350 1.00 9.51 N ATOM 28 CD2 HIS A 3 -22.304 -11.374 -18.968 1.00 9.23 C ATOM 29 CE1 HIS A 3 -24.353 -12.047 -19.320 1.00 10.14 C ATOM 30 NE2 HIS A 3 -23.125 -12.465 -19.092 1.00 9.99 N ATOM 0 H HIS A 3 -20.781 -9.735 -17.758 1.00 8.25 H new ATOM 0 HA HIS A 3 -22.050 -7.152 -17.960 1.00 7.71 H new ATOM 0 HB2 HIS A 3 -23.572 -8.244 -19.490 1.00 8.30 H new ATOM 0 HB3 HIS A 3 -21.915 -8.658 -19.884 1.00 8.30 H new ATOM 0 HD2 HIS A 3 -21.242 -11.393 -18.774 1.00 9.23 H new ATOM 0 HE1 HIS A 3 -25.218 -12.678 -19.459 1.00 10.14 H new ATOM 0 HE2 HIS A 3 -22.833 -13.440 -19.020 1.00 9.99 H new ATOM 39 N MET A 4 -22.984 -7.911 -15.528 1.00 6.50 N ATOM 40 CA MET A 4 -23.911 -7.896 -14.408 1.00 6.05 C ATOM 41 C MET A 4 -23.882 -6.521 -13.754 1.00 5.19 C ATOM 42 O MET A 4 -24.908 -5.854 -13.640 1.00 5.17 O ATOM 43 CB MET A 4 -23.539 -8.983 -13.394 1.00 6.67 C ATOM 44 CG MET A 4 -24.383 -8.965 -12.125 1.00 7.26 C ATOM 45 SD MET A 4 -26.148 -9.179 -12.441 1.00 8.18 S ATOM 46 CE MET A 4 -26.175 -10.809 -13.191 1.00 8.77 C ATOM 0 H MET A 4 -22.053 -7.563 -15.299 1.00 6.50 H new ATOM 0 HA MET A 4 -24.919 -8.101 -14.768 1.00 6.05 H new ATOM 0 HB2 MET A 4 -23.639 -9.958 -13.870 1.00 6.67 H new ATOM 0 HB3 MET A 4 -22.490 -8.867 -13.122 1.00 6.67 H new ATOM 0 HG2 MET A 4 -24.041 -9.757 -11.458 1.00 7.26 H new ATOM 0 HG3 MET A 4 -24.226 -8.020 -11.605 1.00 7.26 H new ATOM 0 HE1 MET A 4 -27.199 -11.182 -13.213 1.00 8.77 H new ATOM 0 HE2 MET A 4 -25.789 -10.748 -14.208 1.00 8.77 H new ATOM 0 HE3 MET A 4 -25.554 -11.488 -12.607 1.00 8.77 H new ATOM 56 N VAL A 5 -22.693 -6.105 -13.344 1.00 4.89 N ATOM 57 CA VAL A 5 -22.478 -4.774 -12.790 1.00 4.47 C ATOM 58 C VAL A 5 -21.113 -4.243 -13.221 1.00 4.02 C ATOM 59 O VAL A 5 -20.084 -4.592 -12.640 1.00 4.26 O ATOM 60 CB VAL A 5 -22.576 -4.752 -11.244 1.00 5.11 C ATOM 61 CG1 VAL A 5 -24.029 -4.684 -10.797 1.00 5.46 C ATOM 62 CG2 VAL A 5 -21.889 -5.967 -10.629 1.00 5.74 C ATOM 0 H VAL A 5 -21.851 -6.679 -13.385 1.00 4.89 H new ATOM 0 HA VAL A 5 -23.271 -4.135 -13.179 1.00 4.47 H new ATOM 0 HB VAL A 5 -22.061 -3.858 -10.893 1.00 5.11 H new ATOM 0 HG11 VAL A 5 -24.074 -4.670 -9.708 1.00 5.46 H new ATOM 0 HG12 VAL A 5 -24.489 -3.778 -11.191 1.00 5.46 H new ATOM 0 HG13 VAL A 5 -24.566 -5.556 -11.171 1.00 5.46 H new ATOM 0 HG21 VAL A 5 -21.975 -5.923 -9.543 1.00 5.74 H new ATOM 0 HG22 VAL A 5 -22.365 -6.877 -10.994 1.00 5.74 H new ATOM 0 HG23 VAL A 5 -20.836 -5.970 -10.910 1.00 5.74 H new ATOM 72 N GLU A 6 -21.107 -3.426 -14.266 1.00 3.71 N ATOM 73 CA GLU A 6 -19.871 -2.837 -14.763 1.00 3.56 C ATOM 74 C GLU A 6 -19.265 -1.895 -13.733 1.00 3.07 C ATOM 75 O GLU A 6 -19.965 -1.058 -13.162 1.00 3.23 O ATOM 76 CB GLU A 6 -20.105 -2.078 -16.066 1.00 4.14 C ATOM 77 CG GLU A 6 -20.462 -2.963 -17.245 1.00 4.54 C ATOM 78 CD GLU A 6 -20.437 -2.199 -18.549 1.00 5.11 C ATOM 79 OE1 GLU A 6 -19.345 -2.025 -19.124 1.00 5.70 O ATOM 80 OE2 GLU A 6 -21.523 -1.794 -19.021 1.00 5.29 O ATOM 0 H GLU A 6 -21.943 -3.157 -14.785 1.00 3.71 H new ATOM 0 HA GLU A 6 -19.177 -3.656 -14.952 1.00 3.56 H new ATOM 0 HB2 GLU A 6 -20.906 -1.355 -15.913 1.00 4.14 H new ATOM 0 HB3 GLU A 6 -19.206 -1.512 -16.310 1.00 4.14 H new ATOM 0 HG2 GLU A 6 -19.762 -3.797 -17.299 1.00 4.54 H new ATOM 0 HG3 GLU A 6 -21.454 -3.389 -17.092 1.00 4.54 H new ATOM 87 N ARG A 7 -17.959 -2.043 -13.518 1.00 2.85 N ATOM 88 CA ARG A 7 -17.206 -1.200 -12.587 1.00 2.62 C ATOM 89 C ARG A 7 -17.783 -1.287 -11.176 1.00 2.19 C ATOM 90 O ARG A 7 -18.546 -0.412 -10.754 1.00 2.44 O ATOM 91 CB ARG A 7 -17.200 0.261 -13.045 1.00 3.27 C ATOM 92 CG ARG A 7 -16.901 0.453 -14.521 1.00 3.86 C ATOM 93 CD ARG A 7 -16.834 1.927 -14.879 1.00 4.69 C ATOM 94 NE ARG A 7 -17.989 2.673 -14.379 1.00 5.27 N ATOM 95 CZ ARG A 7 -18.077 3.999 -14.393 1.00 6.08 C ATOM 96 NH1 ARG A 7 -17.084 4.727 -14.890 1.00 6.40 N ATOM 97 NH2 ARG A 7 -19.156 4.602 -13.904 1.00 6.85 N ATOM 0 H ARG A 7 -17.391 -2.751 -13.984 1.00 2.85 H new ATOM 0 HA ARG A 7 -16.181 -1.571 -12.575 1.00 2.62 H new ATOM 0 HB2 ARG A 7 -18.171 0.703 -12.823 1.00 3.27 H new ATOM 0 HB3 ARG A 7 -16.460 0.809 -12.462 1.00 3.27 H new ATOM 0 HG2 ARG A 7 -15.955 -0.028 -14.769 1.00 3.86 H new ATOM 0 HG3 ARG A 7 -17.672 -0.034 -15.118 1.00 3.86 H new ATOM 0 HD2 ARG A 7 -15.921 2.357 -14.468 1.00 4.69 H new ATOM 0 HD3 ARG A 7 -16.777 2.033 -15.962 1.00 4.69 H new ATOM 0 HE ARG A 7 -18.773 2.144 -13.997 1.00 5.27 H new ATOM 0 HH11 ARG A 7 -16.252 4.269 -15.262 1.00 6.40 H new ATOM 0 HH12 ARG A 7 -17.153 5.745 -14.900 1.00 6.40 H new ATOM 0 HH21 ARG A 7 -19.919 4.047 -13.517 1.00 6.85 H new ATOM 0 HH22 ARG A 7 -19.221 5.620 -13.916 1.00 6.85 H new ATOM 111 N PRO A 8 -17.435 -2.344 -10.432 1.00 2.01 N ATOM 112 CA PRO A 8 -17.911 -2.535 -9.063 1.00 2.04 C ATOM 113 C PRO A 8 -17.311 -1.509 -8.106 1.00 1.71 C ATOM 114 O PRO A 8 -16.094 -1.459 -7.924 1.00 1.69 O ATOM 115 CB PRO A 8 -17.435 -3.951 -8.699 1.00 2.57 C ATOM 116 CG PRO A 8 -16.996 -4.571 -9.982 1.00 2.80 C ATOM 117 CD PRO A 8 -16.548 -3.434 -10.852 1.00 2.42 C ATOM 0 HA PRO A 8 -18.991 -2.411 -8.987 1.00 2.04 H new ATOM 0 HB2 PRO A 8 -16.616 -3.916 -7.981 1.00 2.57 H new ATOM 0 HB3 PRO A 8 -18.238 -4.528 -8.240 1.00 2.57 H new ATOM 0 HG2 PRO A 8 -16.185 -5.280 -9.816 1.00 2.80 H new ATOM 0 HG3 PRO A 8 -17.812 -5.123 -10.449 1.00 2.80 H new ATOM 0 HD2 PRO A 8 -15.498 -3.188 -10.690 1.00 2.42 H new ATOM 0 HD3 PRO A 8 -16.662 -3.664 -11.911 1.00 2.42 H new ATOM 125 N PRO A 9 -18.154 -0.672 -7.486 1.00 1.83 N ATOM 126 CA PRO A 9 -17.703 0.341 -6.531 1.00 1.84 C ATOM 127 C PRO A 9 -17.365 -0.274 -5.174 1.00 1.40 C ATOM 128 O PRO A 9 -17.960 0.070 -4.152 1.00 1.72 O ATOM 129 CB PRO A 9 -18.907 1.276 -6.425 1.00 2.47 C ATOM 130 CG PRO A 9 -20.085 0.403 -6.692 1.00 2.76 C ATOM 131 CD PRO A 9 -19.619 -0.644 -7.671 1.00 2.36 C ATOM 0 HA PRO A 9 -16.790 0.845 -6.849 1.00 1.84 H new ATOM 0 HB2 PRO A 9 -18.968 1.733 -5.437 1.00 2.47 H new ATOM 0 HB3 PRO A 9 -18.843 2.088 -7.149 1.00 2.47 H new ATOM 0 HG2 PRO A 9 -20.445 -0.057 -5.772 1.00 2.76 H new ATOM 0 HG3 PRO A 9 -20.912 0.981 -7.104 1.00 2.76 H new ATOM 0 HD2 PRO A 9 -20.067 -1.615 -7.462 1.00 2.36 H new ATOM 0 HD3 PRO A 9 -19.888 -0.383 -8.694 1.00 2.36 H new ATOM 139 N VAL A 10 -16.407 -1.184 -5.175 1.00 1.18 N ATOM 140 CA VAL A 10 -16.042 -1.917 -3.974 1.00 0.94 C ATOM 141 C VAL A 10 -14.540 -1.836 -3.729 1.00 0.94 C ATOM 142 O VAL A 10 -13.739 -1.930 -4.660 1.00 1.76 O ATOM 143 CB VAL A 10 -16.485 -3.397 -4.079 1.00 1.25 C ATOM 144 CG1 VAL A 10 -15.906 -4.044 -5.326 1.00 1.90 C ATOM 145 CG2 VAL A 10 -16.088 -4.177 -2.834 1.00 2.00 C ATOM 0 H VAL A 10 -15.864 -1.435 -6.001 1.00 1.18 H new ATOM 0 HA VAL A 10 -16.558 -1.459 -3.130 1.00 0.94 H new ATOM 0 HB VAL A 10 -17.572 -3.417 -4.155 1.00 1.25 H new ATOM 0 HG11 VAL A 10 -16.230 -5.083 -5.380 1.00 1.90 H new ATOM 0 HG12 VAL A 10 -16.255 -3.509 -6.209 1.00 1.90 H new ATOM 0 HG13 VAL A 10 -14.818 -4.005 -5.284 1.00 1.90 H new ATOM 0 HG21 VAL A 10 -16.412 -5.213 -2.935 1.00 2.00 H new ATOM 0 HG22 VAL A 10 -15.005 -4.145 -2.715 1.00 2.00 H new ATOM 0 HG23 VAL A 10 -16.563 -3.732 -1.959 1.00 2.00 H new ATOM 155 N VAL A 11 -14.168 -1.623 -2.478 1.00 0.62 N ATOM 156 CA VAL A 11 -12.767 -1.534 -2.096 1.00 0.61 C ATOM 157 C VAL A 11 -12.525 -2.285 -0.791 1.00 0.62 C ATOM 158 O VAL A 11 -12.887 -1.810 0.284 1.00 0.93 O ATOM 159 CB VAL A 11 -12.314 -0.063 -1.942 1.00 0.76 C ATOM 160 CG1 VAL A 11 -10.916 0.013 -1.359 1.00 1.35 C ATOM 161 CG2 VAL A 11 -12.360 0.664 -3.279 1.00 0.95 C ATOM 0 H VAL A 11 -14.822 -1.508 -1.704 1.00 0.62 H new ATOM 0 HA VAL A 11 -12.179 -1.991 -2.892 1.00 0.61 H new ATOM 0 HB VAL A 11 -13.006 0.426 -1.256 1.00 0.76 H new ATOM 0 HG11 VAL A 11 -10.619 1.057 -1.260 1.00 1.35 H new ATOM 0 HG12 VAL A 11 -10.905 -0.462 -0.378 1.00 1.35 H new ATOM 0 HG13 VAL A 11 -10.218 -0.502 -2.019 1.00 1.35 H new ATOM 0 HG21 VAL A 11 -12.037 1.696 -3.143 1.00 0.95 H new ATOM 0 HG22 VAL A 11 -11.697 0.166 -3.987 1.00 0.95 H new ATOM 0 HG23 VAL A 11 -13.379 0.651 -3.665 1.00 0.95 H new ATOM 171 N THR A 12 -11.930 -3.462 -0.890 1.00 0.44 N ATOM 172 CA THR A 12 -11.633 -4.278 0.278 1.00 0.45 C ATOM 173 C THR A 12 -10.669 -3.547 1.210 1.00 0.41 C ATOM 174 O THR A 12 -9.748 -2.880 0.749 1.00 0.50 O ATOM 175 CB THR A 12 -10.999 -5.608 -0.155 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.656 -6.096 -1.330 1.00 0.61 O ATOM 177 CG2 THR A 12 -11.086 -6.646 0.956 1.00 0.64 C ATOM 0 H THR A 12 -11.640 -3.878 -1.775 1.00 0.44 H new ATOM 0 HA THR A 12 -12.567 -4.471 0.805 1.00 0.45 H new ATOM 0 HB THR A 12 -9.946 -5.431 -0.372 1.00 0.54 H new ATOM 0 HG1 THR A 12 -12.001 -6.997 -1.161 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.629 -7.577 0.621 1.00 0.64 H new ATOM 0 HG22 THR A 12 -10.559 -6.280 1.838 1.00 0.64 H new ATOM 0 HG23 THR A 12 -12.132 -6.824 1.206 1.00 0.64 H new ATOM 185 N ILE A 13 -10.881 -3.660 2.514 1.00 0.40 N ATOM 186 CA ILE A 13 -9.991 -3.018 3.468 1.00 0.40 C ATOM 187 C ILE A 13 -9.215 -4.066 4.270 1.00 0.37 C ATOM 188 O ILE A 13 -9.761 -5.098 4.669 1.00 0.52 O ATOM 189 CB ILE A 13 -10.751 -2.070 4.425 1.00 0.52 C ATOM 190 CG1 ILE A 13 -9.765 -1.188 5.200 1.00 1.15 C ATOM 191 CG2 ILE A 13 -11.615 -2.866 5.390 1.00 1.26 C ATOM 192 CD1 ILE A 13 -10.433 -0.167 6.095 1.00 1.30 C ATOM 0 H ILE A 13 -11.651 -4.183 2.930 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.288 -2.413 2.895 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.399 -1.428 3.828 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -9.122 -1.825 5.808 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -9.121 -0.669 4.490 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -12.142 -2.182 6.055 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -12.339 -3.456 4.828 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -10.984 -3.531 5.979 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -9.672 0.419 6.610 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -11.054 0.495 5.491 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -11.055 -0.679 6.829 1.00 1.30 H new ATOM 204 N MET A 14 -7.936 -3.799 4.470 1.00 0.26 N ATOM 205 CA MET A 14 -7.043 -4.688 5.174 1.00 0.28 C ATOM 206 C MET A 14 -6.006 -3.867 5.925 1.00 0.24 C ATOM 207 O MET A 14 -5.941 -2.652 5.759 1.00 0.29 O ATOM 208 CB MET A 14 -6.332 -5.599 4.183 1.00 0.36 C ATOM 209 CG MET A 14 -7.200 -6.703 3.603 1.00 0.49 C ATOM 210 SD MET A 14 -6.283 -7.771 2.474 1.00 0.79 S ATOM 211 CE MET A 14 -7.565 -8.899 1.957 1.00 0.69 C ATOM 0 H MET A 14 -7.487 -2.944 4.141 1.00 0.26 H new ATOM 0 HA MET A 14 -7.619 -5.293 5.874 1.00 0.28 H new ATOM 0 HB2 MET A 14 -5.945 -4.992 3.365 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.473 -6.052 4.678 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.611 -7.303 4.415 1.00 0.49 H new ATOM 0 HG3 MET A 14 -8.044 -6.259 3.075 1.00 0.49 H new ATOM 0 HE1 MET A 14 -7.180 -9.555 1.176 1.00 0.69 H new ATOM 0 HE2 MET A 14 -7.887 -9.499 2.808 1.00 0.69 H new ATOM 0 HE3 MET A 14 -8.413 -8.334 1.570 1.00 0.69 H new ATOM 221 N GLY A 15 -5.197 -4.529 6.737 1.00 0.27 N ATOM 222 CA GLY A 15 -4.138 -3.848 7.436 1.00 0.27 C ATOM 223 C GLY A 15 -3.821 -4.498 8.756 1.00 0.24 C ATOM 224 O GLY A 15 -4.381 -5.545 9.085 1.00 0.31 O ATOM 0 H GLY A 15 -5.259 -5.530 6.922 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -3.243 -3.836 6.814 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.424 -2.810 7.603 1.00 0.27 H new ATOM 228 N HIS A 16 -2.917 -3.895 9.508 1.00 0.20 N ATOM 229 CA HIS A 16 -2.527 -4.447 10.799 1.00 0.17 C ATOM 230 C HIS A 16 -3.454 -3.974 11.914 1.00 0.19 C ATOM 231 O HIS A 16 -4.190 -2.994 11.780 1.00 0.22 O ATOM 232 CB HIS A 16 -1.081 -4.074 11.139 1.00 0.17 C ATOM 233 CG HIS A 16 -0.526 -4.811 12.324 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.584 -6.186 12.412 1.00 0.16 N ATOM 235 CD2 HIS A 16 0.065 -4.326 13.437 1.00 0.19 C ATOM 236 CE1 HIS A 16 -0.033 -6.494 13.578 1.00 0.19 C ATOM 237 NE2 HIS A 16 0.372 -5.401 14.227 1.00 0.22 N ATOM 0 H HIS A 16 -2.441 -3.030 9.252 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.607 -5.531 10.721 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.451 -4.273 10.272 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -1.028 -3.003 11.332 1.00 0.17 H new ATOM 0 HD2 HIS A 16 0.259 -3.287 13.661 1.00 0.19 H new ATOM 0 HE1 HIS A 16 0.074 -7.501 13.954 1.00 0.19 H new ATOM 0 HE2 HIS A 16 0.825 -5.372 15.140 1.00 0.22 H new ATOM 245 N VAL A 17 -3.398 -4.702 13.010 1.00 0.20 N ATOM 246 CA VAL A 17 -4.136 -4.383 14.211 1.00 0.25 C ATOM 247 C VAL A 17 -3.438 -3.269 14.975 1.00 0.26 C ATOM 248 O VAL A 17 -2.224 -3.119 14.879 1.00 0.25 O ATOM 249 CB VAL A 17 -4.246 -5.641 15.084 1.00 0.29 C ATOM 250 CG1 VAL A 17 -2.869 -6.245 15.305 1.00 0.30 C ATOM 251 CG2 VAL A 17 -4.884 -5.366 16.422 1.00 0.36 C ATOM 0 H VAL A 17 -2.829 -5.545 13.091 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.136 -4.041 13.944 1.00 0.25 H new ATOM 0 HB VAL A 17 -4.887 -6.340 14.547 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -2.958 -7.137 15.925 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.431 -6.514 14.344 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.229 -5.518 15.805 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -4.936 -6.290 16.997 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.288 -4.633 16.966 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -5.890 -4.975 16.272 1.00 0.36 H new ATOM 261 N ASP A 18 -4.224 -2.479 15.704 1.00 0.31 N ATOM 262 CA ASP A 18 -3.731 -1.308 16.432 1.00 0.36 C ATOM 263 C ASP A 18 -3.436 -0.176 15.455 1.00 0.34 C ATOM 264 O ASP A 18 -3.302 0.986 15.839 1.00 0.41 O ATOM 265 CB ASP A 18 -2.501 -1.662 17.278 1.00 0.42 C ATOM 266 CG ASP A 18 -2.025 -0.511 18.146 1.00 0.55 C ATOM 267 OD1 ASP A 18 -2.547 -0.358 19.270 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.122 0.237 17.714 1.00 0.59 O ATOM 0 H ASP A 18 -5.227 -2.633 15.808 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.505 -0.970 17.121 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -2.738 -2.515 17.914 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -1.690 -1.971 16.618 1.00 0.42 H new ATOM 273 N HIS A 19 -3.367 -0.522 14.174 1.00 0.29 N ATOM 274 CA HIS A 19 -3.340 0.472 13.115 1.00 0.32 C ATOM 275 C HIS A 19 -4.780 0.804 12.746 1.00 0.43 C ATOM 276 O HIS A 19 -5.060 1.470 11.755 1.00 0.63 O ATOM 277 CB HIS A 19 -2.577 -0.025 11.880 1.00 0.29 C ATOM 278 CG HIS A 19 -1.195 -0.527 12.160 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.348 -0.885 11.142 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.567 -0.714 13.344 1.00 0.21 C ATOM 281 CE1 HIS A 19 0.769 -1.278 11.724 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.681 -1.193 13.054 1.00 0.24 N ATOM 0 H HIS A 19 -3.329 -1.487 13.846 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.816 1.359 13.472 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -3.152 -0.824 11.412 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.514 0.788 11.157 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -0.972 -0.522 14.327 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.643 -1.624 11.193 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.407 -1.439 13.727 1.00 0.24 H new ATOM 290 N GLY A 20 -5.697 0.290 13.560 1.00 0.42 N ATOM 291 CA GLY A 20 -7.094 0.634 13.440 1.00 0.54 C ATOM 292 C GLY A 20 -7.794 -0.043 12.285 1.00 0.57 C ATOM 293 O GLY A 20 -8.442 0.626 11.486 1.00 0.79 O ATOM 0 H GLY A 20 -5.488 -0.368 14.310 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.604 0.370 14.366 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -7.183 1.714 13.324 1.00 0.54 H new ATOM 297 N LYS A 21 -7.730 -1.364 12.206 1.00 0.61 N ATOM 298 CA LYS A 21 -8.362 -2.055 11.090 1.00 0.95 C ATOM 299 C LYS A 21 -9.873 -2.197 11.302 1.00 0.89 C ATOM 300 O LYS A 21 -10.561 -2.870 10.538 1.00 1.05 O ATOM 301 CB LYS A 21 -7.687 -3.406 10.844 1.00 1.36 C ATOM 302 CG LYS A 21 -7.598 -4.316 12.059 1.00 1.79 C ATOM 303 CD LYS A 21 -8.857 -5.148 12.236 1.00 2.30 C ATOM 304 CE LYS A 21 -8.616 -6.310 13.189 1.00 2.66 C ATOM 305 NZ LYS A 21 -9.823 -7.164 13.346 1.00 3.31 N ATOM 0 H LYS A 21 -7.260 -1.967 12.882 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.228 -1.450 10.193 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -8.232 -3.929 10.058 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -6.679 -3.228 10.469 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -6.737 -4.977 11.955 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -7.432 -3.714 12.952 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -9.661 -4.520 12.620 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -9.184 -5.529 11.268 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -7.789 -6.916 12.819 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -8.317 -5.923 14.163 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -9.614 -7.943 14.003 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -10.606 -6.593 13.724 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -10.094 -7.555 12.421 1.00 3.31 H new ATOM 319 N THR A 22 -10.378 -1.548 12.347 1.00 0.84 N ATOM 320 CA THR A 22 -11.805 -1.503 12.617 1.00 0.87 C ATOM 321 C THR A 22 -12.249 -0.057 12.847 1.00 0.79 C ATOM 322 O THR A 22 -13.192 0.431 12.218 1.00 0.79 O ATOM 323 CB THR A 22 -12.167 -2.356 13.850 1.00 1.02 C ATOM 324 OG1 THR A 22 -11.628 -3.676 13.702 1.00 1.21 O ATOM 325 CG2 THR A 22 -13.678 -2.444 14.033 1.00 1.18 C ATOM 0 H THR A 22 -9.809 -1.042 13.026 1.00 0.84 H new ATOM 0 HA THR A 22 -12.324 -1.913 11.750 1.00 0.87 H new ATOM 0 HB THR A 22 -11.739 -1.877 14.731 1.00 1.02 H new ATOM 0 HG1 THR A 22 -11.859 -4.214 14.488 1.00 1.21 H new ATOM 0 HG21 THR A 22 -13.904 -3.051 14.910 1.00 1.18 H new ATOM 0 HG22 THR A 22 -14.087 -1.443 14.170 1.00 1.18 H new ATOM 0 HG23 THR A 22 -14.125 -2.901 13.150 1.00 1.18 H new ATOM 333 N THR A 23 -11.538 0.640 13.731 1.00 0.75 N ATOM 334 CA THR A 23 -11.843 2.032 14.027 1.00 0.75 C ATOM 335 C THR A 23 -11.792 2.893 12.764 1.00 0.67 C ATOM 336 O THR A 23 -12.457 3.915 12.690 1.00 0.66 O ATOM 337 CB THR A 23 -10.885 2.596 15.087 1.00 0.82 C ATOM 338 OG1 THR A 23 -10.901 1.758 16.247 1.00 1.25 O ATOM 339 CG2 THR A 23 -11.258 4.018 15.487 1.00 1.17 C ATOM 0 H THR A 23 -10.748 0.261 14.253 1.00 0.75 H new ATOM 0 HA THR A 23 -12.858 2.063 14.424 1.00 0.75 H new ATOM 0 HB THR A 23 -9.886 2.618 14.652 1.00 0.82 H new ATOM 0 HG1 THR A 23 -10.288 2.120 16.920 1.00 1.25 H new ATOM 0 HG21 THR A 23 -10.556 4.381 16.238 1.00 1.17 H new ATOM 0 HG22 THR A 23 -11.218 4.665 14.611 1.00 1.17 H new ATOM 0 HG23 THR A 23 -12.267 4.027 15.899 1.00 1.17 H new ATOM 347 N LEU A 24 -11.038 2.464 11.757 1.00 0.65 N ATOM 348 CA LEU A 24 -10.940 3.230 10.516 1.00 0.63 C ATOM 349 C LEU A 24 -12.228 3.187 9.720 1.00 0.64 C ATOM 350 O LEU A 24 -12.588 4.174 9.097 1.00 0.65 O ATOM 351 CB LEU A 24 -9.795 2.742 9.668 1.00 0.67 C ATOM 352 CG LEU A 24 -8.572 3.663 9.644 1.00 0.84 C ATOM 353 CD1 LEU A 24 -7.907 3.715 11.009 1.00 1.49 C ATOM 354 CD2 LEU A 24 -7.588 3.208 8.582 1.00 1.30 C ATOM 0 H LEU A 24 -10.492 1.602 11.772 1.00 0.65 H new ATOM 0 HA LEU A 24 -10.754 4.266 10.799 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.486 1.761 10.030 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.150 2.607 8.646 1.00 0.67 H new ATOM 0 HG LEU A 24 -8.906 4.670 9.395 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -7.041 4.375 10.967 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -8.616 4.093 11.745 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -7.586 2.714 11.296 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -6.724 3.873 8.578 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -7.262 2.191 8.800 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -8.070 3.233 7.605 1.00 1.30 H new ATOM 366 N LEU A 25 -12.940 2.063 9.739 1.00 0.68 N ATOM 367 CA LEU A 25 -14.199 1.996 9.009 1.00 0.75 C ATOM 368 C LEU A 25 -15.272 2.776 9.754 1.00 0.74 C ATOM 369 O LEU A 25 -16.301 3.150 9.193 1.00 0.82 O ATOM 370 CB LEU A 25 -14.639 0.548 8.718 1.00 0.85 C ATOM 371 CG LEU A 25 -14.894 -0.420 9.888 1.00 0.92 C ATOM 372 CD1 LEU A 25 -16.104 -0.012 10.725 1.00 1.63 C ATOM 373 CD2 LEU A 25 -15.102 -1.824 9.331 1.00 1.69 C ATOM 0 H LEU A 25 -12.677 1.212 10.236 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.045 2.459 8.034 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -15.556 0.598 8.130 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -13.877 0.097 8.082 1.00 0.85 H new ATOM 0 HG LEU A 25 -14.025 -0.392 10.545 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -16.242 -0.726 11.537 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -15.941 0.983 11.140 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -16.994 -0.001 10.096 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -15.283 -2.518 10.152 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -15.960 -1.825 8.658 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -14.212 -2.134 8.784 1.00 1.69 H new ATOM 385 N ASP A 26 -15.003 3.030 11.022 1.00 0.71 N ATOM 386 CA ASP A 26 -15.875 3.861 11.837 1.00 0.75 C ATOM 387 C ASP A 26 -15.504 5.311 11.642 1.00 0.70 C ATOM 388 O ASP A 26 -16.352 6.188 11.484 1.00 0.76 O ATOM 389 CB ASP A 26 -15.735 3.501 13.301 1.00 0.81 C ATOM 390 CG ASP A 26 -16.613 4.351 14.203 1.00 1.01 C ATOM 391 OD1 ASP A 26 -17.832 4.096 14.265 1.00 1.13 O ATOM 392 OD2 ASP A 26 -16.088 5.280 14.851 1.00 1.23 O ATOM 0 H ASP A 26 -14.184 2.671 11.513 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.908 3.694 11.532 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.991 2.450 13.438 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.694 3.617 13.601 1.00 0.81 H new ATOM 397 N ALA A 27 -14.208 5.528 11.633 1.00 0.63 N ATOM 398 CA ALA A 27 -13.644 6.848 11.446 1.00 0.61 C ATOM 399 C ALA A 27 -13.977 7.381 10.059 1.00 0.58 C ATOM 400 O ALA A 27 -14.268 8.560 9.882 1.00 0.62 O ATOM 401 CB ALA A 27 -12.146 6.759 11.637 1.00 0.61 C ATOM 0 H ALA A 27 -13.512 4.792 11.755 1.00 0.63 H new ATOM 0 HA ALA A 27 -14.069 7.538 12.175 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -11.702 7.745 11.500 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -11.928 6.400 12.643 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -11.726 6.068 10.906 1.00 0.61 H new ATOM 407 N ILE A 28 -13.946 6.486 9.093 1.00 0.56 N ATOM 408 CA ILE A 28 -14.157 6.828 7.699 1.00 0.57 C ATOM 409 C ILE A 28 -15.631 7.141 7.424 1.00 0.64 C ATOM 410 O ILE A 28 -15.952 7.979 6.580 1.00 0.71 O ATOM 411 CB ILE A 28 -13.672 5.658 6.812 1.00 0.61 C ATOM 412 CG1 ILE A 28 -13.182 6.136 5.455 1.00 0.84 C ATOM 413 CG2 ILE A 28 -14.761 4.614 6.629 1.00 1.02 C ATOM 414 CD1 ILE A 28 -12.462 5.041 4.704 1.00 0.85 C ATOM 0 H ILE A 28 -13.773 5.494 9.253 1.00 0.56 H new ATOM 0 HA ILE A 28 -13.584 7.725 7.463 1.00 0.57 H new ATOM 0 HB ILE A 28 -12.831 5.202 7.334 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -14.029 6.486 4.865 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -12.513 6.986 5.588 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -14.388 3.805 6.001 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -15.049 4.215 7.601 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -15.628 5.072 6.153 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -12.127 5.421 3.739 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -11.600 4.709 5.283 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -13.139 4.201 4.548 1.00 0.85 H new ATOM 426 N ARG A 29 -16.521 6.486 8.165 1.00 0.70 N ATOM 427 CA ARG A 29 -17.955 6.643 7.963 1.00 0.82 C ATOM 428 C ARG A 29 -18.444 7.899 8.665 1.00 0.86 C ATOM 429 O ARG A 29 -19.379 8.561 8.228 1.00 1.07 O ATOM 430 CB ARG A 29 -18.687 5.400 8.480 1.00 0.99 C ATOM 431 CG ARG A 29 -18.813 5.304 9.992 1.00 1.06 C ATOM 432 CD ARG A 29 -19.459 3.990 10.410 1.00 1.06 C ATOM 433 NE ARG A 29 -19.410 3.779 11.857 1.00 1.62 N ATOM 434 CZ ARG A 29 -20.324 3.091 12.541 1.00 2.19 C ATOM 435 NH1 ARG A 29 -21.387 2.590 11.927 1.00 2.49 N ATOM 436 NH2 ARG A 29 -20.162 2.904 13.842 1.00 3.04 N ATOM 0 H ARG A 29 -16.271 5.839 8.913 1.00 0.70 H new ATOM 0 HA ARG A 29 -18.165 6.748 6.899 1.00 0.82 H new ATOM 0 HB2 ARG A 29 -19.687 5.380 8.046 1.00 0.99 H new ATOM 0 HB3 ARG A 29 -18.165 4.514 8.118 1.00 0.99 H new ATOM 0 HG2 ARG A 29 -17.826 5.388 10.448 1.00 1.06 H new ATOM 0 HG3 ARG A 29 -19.408 6.139 10.363 1.00 1.06 H new ATOM 0 HD2 ARG A 29 -20.497 3.977 10.079 1.00 1.06 H new ATOM 0 HD3 ARG A 29 -18.954 3.164 9.908 1.00 1.06 H new ATOM 0 HE ARG A 29 -18.629 4.183 12.374 1.00 1.62 H new ATOM 0 HH11 ARG A 29 -21.510 2.730 10.924 1.00 2.49 H new ATOM 0 HH12 ARG A 29 -22.082 2.065 12.458 1.00 2.49 H new ATOM 0 HH21 ARG A 29 -19.342 3.285 14.314 1.00 3.04 H new ATOM 0 HH22 ARG A 29 -20.857 2.379 14.372 1.00 3.04 H new ATOM 450 N HIS A 30 -17.778 8.219 9.753 1.00 0.83 N ATOM 451 CA HIS A 30 -18.090 9.404 10.541 1.00 0.98 C ATOM 452 C HIS A 30 -17.199 10.571 10.162 1.00 0.95 C ATOM 453 O HIS A 30 -17.016 11.517 10.925 1.00 1.10 O ATOM 454 CB HIS A 30 -17.909 9.101 12.003 1.00 1.15 C ATOM 455 CG HIS A 30 -18.933 8.182 12.579 1.00 1.60 C ATOM 456 ND1 HIS A 30 -20.160 7.861 12.136 1.00 2.04 N flip ATOM 457 CD2 HIS A 30 -18.746 7.473 13.743 1.00 2.10 C flip ATOM 458 CE1 HIS A 30 -20.699 6.970 13.031 1.00 2.61 C flip ATOM 459 NE2 HIS A 30 -19.823 6.752 13.994 1.00 2.65 N flip ATOM 0 H HIS A 30 -17.003 7.668 10.121 1.00 0.83 H new ATOM 0 HA HIS A 30 -19.125 9.679 10.338 1.00 0.98 H new ATOM 0 HB2 HIS A 30 -16.922 8.662 12.150 1.00 1.15 H new ATOM 0 HB3 HIS A 30 -17.927 10.038 12.560 1.00 1.15 H new ATOM 0 HD2 HIS A 30 -17.857 7.502 14.356 1.00 2.10 H new ATOM 0 HE1 HIS A 30 -21.679 6.521 12.959 1.00 2.61 H new ATOM 0 HE2 HIS A 30 -19.955 6.133 14.794 1.00 2.65 H new ATOM 468 N SER A 31 -16.643 10.475 8.986 1.00 0.82 N ATOM 469 CA SER A 31 -15.754 11.502 8.467 1.00 0.84 C ATOM 470 C SER A 31 -16.451 12.335 7.399 1.00 1.00 C ATOM 471 O SER A 31 -16.013 13.442 7.076 1.00 1.38 O ATOM 472 CB SER A 31 -14.478 10.865 7.892 1.00 0.78 C ATOM 473 OG SER A 31 -13.571 11.852 7.423 1.00 1.46 O ATOM 0 H SER A 31 -16.787 9.688 8.354 1.00 0.82 H new ATOM 0 HA SER A 31 -15.480 12.160 9.291 1.00 0.84 H new ATOM 0 HB2 SER A 31 -13.995 10.260 8.659 1.00 0.78 H new ATOM 0 HB3 SER A 31 -14.741 10.193 7.075 1.00 0.78 H new ATOM 0 HG SER A 31 -12.770 11.416 7.065 1.00 1.46 H new ATOM 479 N LYS A 32 -17.540 11.805 6.847 1.00 0.91 N ATOM 480 CA LYS A 32 -18.261 12.492 5.784 1.00 1.09 C ATOM 481 C LYS A 32 -19.616 11.852 5.530 1.00 1.10 C ATOM 482 O LYS A 32 -20.099 11.053 6.334 1.00 1.37 O ATOM 483 CB LYS A 32 -17.432 12.542 4.492 1.00 1.39 C ATOM 484 CG LYS A 32 -16.946 11.193 3.974 1.00 1.56 C ATOM 485 CD LYS A 32 -15.606 10.784 4.585 1.00 2.24 C ATOM 486 CE LYS A 32 -14.439 11.644 4.092 1.00 3.10 C ATOM 487 NZ LYS A 32 -14.504 13.058 4.563 1.00 3.92 N ATOM 0 H LYS A 32 -17.939 10.906 7.118 1.00 0.91 H new ATOM 0 HA LYS A 32 -18.432 13.516 6.116 1.00 1.09 H new ATOM 0 HB2 LYS A 32 -18.031 13.016 3.714 1.00 1.39 H new ATOM 0 HB3 LYS A 32 -16.565 13.181 4.661 1.00 1.39 H new ATOM 0 HG2 LYS A 32 -17.692 10.431 4.197 1.00 1.56 H new ATOM 0 HG3 LYS A 32 -16.850 11.236 2.889 1.00 1.56 H new ATOM 0 HD2 LYS A 32 -15.670 10.856 5.671 1.00 2.24 H new ATOM 0 HD3 LYS A 32 -15.407 9.739 4.346 1.00 2.24 H new ATOM 0 HE2 LYS A 32 -13.502 11.200 4.429 1.00 3.10 H new ATOM 0 HE3 LYS A 32 -14.424 11.632 3.002 1.00 3.10 H new ATOM 0 HZ1 LYS A 32 -13.549 13.469 4.560 1.00 3.92 H new ATOM 0 HZ2 LYS A 32 -15.119 13.607 3.929 1.00 3.92 H new ATOM 0 HZ3 LYS A 32 -14.890 13.085 5.528 1.00 3.92 H new ATOM 501 N VAL A 33 -20.226 12.218 4.413 1.00 1.17 N ATOM 502 CA VAL A 33 -21.575 11.780 4.092 1.00 1.39 C ATOM 503 C VAL A 33 -21.607 10.325 3.643 1.00 1.51 C ATOM 504 O VAL A 33 -20.803 9.889 2.820 1.00 2.31 O ATOM 505 CB VAL A 33 -22.202 12.662 2.993 1.00 2.16 C ATOM 506 CG1 VAL A 33 -23.611 12.191 2.658 1.00 3.10 C ATOM 507 CG2 VAL A 33 -22.219 14.122 3.423 1.00 3.06 C ATOM 0 H VAL A 33 -19.803 12.822 3.708 1.00 1.17 H new ATOM 0 HA VAL A 33 -22.158 11.876 5.008 1.00 1.39 H new ATOM 0 HB VAL A 33 -21.589 12.572 2.096 1.00 2.16 H new ATOM 0 HG11 VAL A 33 -24.032 12.828 1.881 1.00 3.10 H new ATOM 0 HG12 VAL A 33 -23.576 11.161 2.303 1.00 3.10 H new ATOM 0 HG13 VAL A 33 -24.235 12.246 3.550 1.00 3.10 H new ATOM 0 HG21 VAL A 33 -22.665 14.728 2.635 1.00 3.06 H new ATOM 0 HG22 VAL A 33 -22.805 14.226 4.336 1.00 3.06 H new ATOM 0 HG23 VAL A 33 -21.199 14.459 3.607 1.00 3.06 H new ATOM 517 N THR A 34 -22.516 9.572 4.235 1.00 1.46 N ATOM 518 CA THR A 34 -22.829 8.240 3.780 1.00 1.91 C ATOM 519 C THR A 34 -24.218 7.844 4.228 1.00 2.50 C ATOM 520 O THR A 34 -24.662 8.189 5.328 1.00 2.78 O ATOM 521 CB THR A 34 -21.795 7.209 4.257 1.00 1.83 C ATOM 522 OG1 THR A 34 -22.308 5.876 4.123 1.00 2.42 O ATOM 523 CG2 THR A 34 -21.368 7.456 5.697 1.00 1.73 C ATOM 0 H THR A 34 -23.056 9.872 5.046 1.00 1.46 H new ATOM 0 HA THR A 34 -22.796 8.251 2.691 1.00 1.91 H new ATOM 0 HB THR A 34 -20.916 7.321 3.622 1.00 1.83 H new ATOM 0 HG1 THR A 34 -22.158 5.558 3.208 1.00 2.42 H new ATOM 0 HG21 THR A 34 -20.636 6.704 5.994 1.00 1.73 H new ATOM 0 HG22 THR A 34 -20.923 8.448 5.780 1.00 1.73 H new ATOM 0 HG23 THR A 34 -22.238 7.393 6.350 1.00 1.73 H new ATOM 531 N GLU A 35 -24.898 7.135 3.361 1.00 3.15 N ATOM 532 CA GLU A 35 -26.274 6.740 3.597 1.00 3.98 C ATOM 533 C GLU A 35 -26.338 5.258 3.939 1.00 4.05 C ATOM 534 O GLU A 35 -27.137 4.834 4.775 1.00 4.33 O ATOM 535 CB GLU A 35 -27.158 7.064 2.378 1.00 4.75 C ATOM 536 CG GLU A 35 -26.823 6.288 1.106 1.00 5.08 C ATOM 537 CD GLU A 35 -25.415 6.540 0.611 1.00 5.84 C ATOM 538 OE1 GLU A 35 -24.496 5.831 1.070 1.00 6.16 O ATOM 539 OE2 GLU A 35 -25.219 7.458 -0.209 1.00 6.34 O ATOM 0 H GLU A 35 -24.518 6.813 2.471 1.00 3.15 H new ATOM 0 HA GLU A 35 -26.659 7.309 4.443 1.00 3.98 H new ATOM 0 HB2 GLU A 35 -28.197 6.868 2.641 1.00 4.75 H new ATOM 0 HB3 GLU A 35 -27.079 8.130 2.165 1.00 4.75 H new ATOM 0 HG2 GLU A 35 -26.951 5.222 1.294 1.00 5.08 H new ATOM 0 HG3 GLU A 35 -27.531 6.561 0.324 1.00 5.08 H new ATOM 546 N GLN A 36 -25.476 4.477 3.307 1.00 4.07 N ATOM 547 CA GLN A 36 -25.381 3.060 3.595 1.00 4.38 C ATOM 548 C GLN A 36 -24.284 2.821 4.627 1.00 4.02 C ATOM 549 O GLN A 36 -23.272 2.172 4.356 1.00 4.41 O ATOM 550 CB GLN A 36 -25.107 2.267 2.314 1.00 5.16 C ATOM 551 CG GLN A 36 -25.239 0.761 2.484 1.00 5.59 C ATOM 552 CD GLN A 36 -26.588 0.359 3.044 1.00 6.26 C ATOM 553 OE1 GLN A 36 -27.546 0.157 2.299 1.00 6.59 O ATOM 554 NE2 GLN A 36 -26.671 0.227 4.359 1.00 6.79 N ATOM 0 H GLN A 36 -24.831 4.805 2.589 1.00 4.07 H new ATOM 0 HA GLN A 36 -26.330 2.714 4.004 1.00 4.38 H new ATOM 0 HB2 GLN A 36 -25.798 2.598 1.538 1.00 5.16 H new ATOM 0 HB3 GLN A 36 -24.101 2.497 1.964 1.00 5.16 H new ATOM 0 HG2 GLN A 36 -25.089 0.275 1.520 1.00 5.59 H new ATOM 0 HG3 GLN A 36 -24.452 0.403 3.147 1.00 5.59 H new ATOM 0 HE21 GLN A 36 -25.853 0.404 4.942 1.00 6.79 H new ATOM 0 HE22 GLN A 36 -27.553 -0.052 4.789 1.00 6.79 H new ATOM 563 N GLU A 37 -24.497 3.371 5.811 1.00 3.65 N ATOM 564 CA GLU A 37 -23.542 3.244 6.897 1.00 3.72 C ATOM 565 C GLU A 37 -23.817 1.990 7.716 1.00 3.46 C ATOM 566 O GLU A 37 -24.954 1.731 8.117 1.00 3.48 O ATOM 567 CB GLU A 37 -23.603 4.473 7.806 1.00 4.27 C ATOM 568 CG GLU A 37 -22.621 4.417 8.965 1.00 4.95 C ATOM 569 CD GLU A 37 -22.893 5.469 10.017 1.00 5.60 C ATOM 570 OE1 GLU A 37 -23.677 5.191 10.947 1.00 5.76 O ATOM 571 OE2 GLU A 37 -22.325 6.574 9.923 1.00 6.24 O ATOM 0 H GLU A 37 -25.329 3.913 6.044 1.00 3.65 H new ATOM 0 HA GLU A 37 -22.546 3.168 6.461 1.00 3.72 H new ATOM 0 HB2 GLU A 37 -23.402 5.365 7.212 1.00 4.27 H new ATOM 0 HB3 GLU A 37 -24.614 4.574 8.201 1.00 4.27 H new ATOM 0 HG2 GLU A 37 -22.666 3.430 9.425 1.00 4.95 H new ATOM 0 HG3 GLU A 37 -21.608 4.545 8.583 1.00 4.95 H new ATOM 578 N ALA A 38 -22.775 1.220 7.964 1.00 3.77 N ATOM 579 CA ALA A 38 -22.873 0.034 8.795 1.00 4.17 C ATOM 580 C ALA A 38 -21.670 -0.038 9.722 1.00 4.07 C ATOM 581 O ALA A 38 -20.805 0.837 9.681 1.00 4.46 O ATOM 582 CB ALA A 38 -22.974 -1.218 7.938 1.00 4.95 C ATOM 0 H ALA A 38 -21.840 1.397 7.597 1.00 3.77 H new ATOM 0 HA ALA A 38 -23.779 0.095 9.397 1.00 4.17 H new ATOM 0 HB1 ALA A 38 -23.046 -2.095 8.582 1.00 4.95 H new ATOM 0 HB2 ALA A 38 -23.861 -1.157 7.307 1.00 4.95 H new ATOM 0 HB3 ALA A 38 -22.087 -1.301 7.310 1.00 4.95 H new ATOM 588 N GLY A 39 -21.615 -1.068 10.552 1.00 4.00 N ATOM 589 CA GLY A 39 -20.527 -1.195 11.494 1.00 4.22 C ATOM 590 C GLY A 39 -20.722 -2.365 12.430 1.00 4.22 C ATOM 591 O GLY A 39 -21.026 -3.472 11.988 1.00 4.68 O ATOM 0 H GLY A 39 -22.305 -1.818 10.589 1.00 4.00 H new ATOM 0 HA2 GLY A 39 -19.590 -1.317 10.951 1.00 4.22 H new ATOM 0 HA3 GLY A 39 -20.441 -0.277 12.075 1.00 4.22 H new ATOM 595 N GLY A 40 -20.578 -2.117 13.722 1.00 4.14 N ATOM 596 CA GLY A 40 -20.680 -3.183 14.699 1.00 4.55 C ATOM 597 C GLY A 40 -22.053 -3.258 15.330 1.00 4.28 C ATOM 598 O GLY A 40 -22.230 -2.908 16.498 1.00 4.37 O ATOM 0 H GLY A 40 -20.392 -1.194 14.114 1.00 4.14 H new ATOM 0 HA2 GLY A 40 -20.451 -4.135 14.219 1.00 4.55 H new ATOM 0 HA3 GLY A 40 -19.933 -3.031 15.478 1.00 4.55 H new ATOM 602 N ILE A 41 -23.028 -3.714 14.557 1.00 4.35 N ATOM 603 CA ILE A 41 -24.393 -3.811 15.041 1.00 4.40 C ATOM 604 C ILE A 41 -24.683 -5.210 15.569 1.00 4.54 C ATOM 605 O ILE A 41 -24.446 -6.206 14.880 1.00 5.04 O ATOM 606 CB ILE A 41 -25.419 -3.466 13.945 1.00 4.99 C ATOM 607 CG1 ILE A 41 -25.165 -2.054 13.406 1.00 5.27 C ATOM 608 CG2 ILE A 41 -26.831 -3.582 14.507 1.00 5.57 C ATOM 609 CD1 ILE A 41 -26.103 -1.654 12.288 1.00 5.56 C ATOM 0 H ILE A 41 -22.897 -4.022 13.593 1.00 4.35 H new ATOM 0 HA ILE A 41 -24.490 -3.085 15.848 1.00 4.40 H new ATOM 0 HB ILE A 41 -25.312 -4.170 13.120 1.00 4.99 H new ATOM 0 HG12 ILE A 41 -25.262 -1.339 14.223 1.00 5.27 H new ATOM 0 HG13 ILE A 41 -24.138 -1.991 13.047 1.00 5.27 H new ATOM 0 HG21 ILE A 41 -27.554 -3.337 13.729 1.00 5.57 H new ATOM 0 HG22 ILE A 41 -27.002 -4.601 14.853 1.00 5.57 H new ATOM 0 HG23 ILE A 41 -26.948 -2.891 15.341 1.00 5.57 H new ATOM 0 HD11 ILE A 41 -25.864 -0.643 11.957 1.00 5.56 H new ATOM 0 HD12 ILE A 41 -25.990 -2.346 11.453 1.00 5.56 H new ATOM 0 HD13 ILE A 41 -27.132 -1.684 12.648 1.00 5.56 H new ATOM 621 N THR A 42 -25.195 -5.261 16.794 1.00 4.43 N ATOM 622 CA THR A 42 -25.554 -6.506 17.457 1.00 4.86 C ATOM 623 C THR A 42 -24.307 -7.315 17.847 1.00 4.64 C ATOM 624 O THR A 42 -24.031 -7.521 19.029 1.00 4.68 O ATOM 625 CB THR A 42 -26.481 -7.348 16.562 1.00 5.21 C ATOM 626 OG1 THR A 42 -27.623 -6.568 16.179 1.00 5.55 O ATOM 627 CG2 THR A 42 -26.937 -8.617 17.271 1.00 5.93 C ATOM 0 H THR A 42 -25.374 -4.430 17.359 1.00 4.43 H new ATOM 0 HA THR A 42 -26.087 -6.251 18.373 1.00 4.86 H new ATOM 0 HB THR A 42 -25.920 -7.641 15.675 1.00 5.21 H new ATOM 0 HG1 THR A 42 -28.210 -7.106 15.608 1.00 5.55 H new ATOM 0 HG21 THR A 42 -27.590 -9.188 16.611 1.00 5.93 H new ATOM 0 HG22 THR A 42 -26.068 -9.220 17.532 1.00 5.93 H new ATOM 0 HG23 THR A 42 -27.480 -8.352 18.178 1.00 5.93 H new ATOM 635 N GLN A 43 -23.555 -7.747 16.844 1.00 4.73 N ATOM 636 CA GLN A 43 -22.323 -8.498 17.043 1.00 4.79 C ATOM 637 C GLN A 43 -21.560 -8.562 15.730 1.00 4.45 C ATOM 638 O GLN A 43 -20.413 -8.137 15.638 1.00 4.74 O ATOM 639 CB GLN A 43 -22.605 -9.924 17.528 1.00 5.52 C ATOM 640 CG GLN A 43 -21.335 -10.738 17.733 1.00 5.96 C ATOM 641 CD GLN A 43 -21.585 -12.227 17.841 1.00 6.23 C ATOM 642 OE1 GLN A 43 -22.632 -12.666 18.315 1.00 6.39 O ATOM 643 NE2 GLN A 43 -20.623 -13.014 17.393 1.00 6.63 N ATOM 0 H GLN A 43 -23.784 -7.585 15.863 1.00 4.73 H new ATOM 0 HA GLN A 43 -21.734 -7.988 17.806 1.00 4.79 H new ATOM 0 HB2 GLN A 43 -23.159 -9.881 18.466 1.00 5.52 H new ATOM 0 HB3 GLN A 43 -23.243 -10.430 16.803 1.00 5.52 H new ATOM 0 HG2 GLN A 43 -20.655 -10.551 16.902 1.00 5.96 H new ATOM 0 HG3 GLN A 43 -20.835 -10.395 18.638 1.00 5.96 H new ATOM 0 HE21 GLN A 43 -19.770 -12.608 17.007 1.00 6.63 H new ATOM 0 HE22 GLN A 43 -20.733 -14.027 17.433 1.00 6.63 H new ATOM 652 N HIS A 44 -22.224 -9.099 14.714 1.00 4.15 N ATOM 653 CA HIS A 44 -21.629 -9.234 13.392 1.00 4.05 C ATOM 654 C HIS A 44 -21.452 -7.868 12.740 1.00 3.55 C ATOM 655 O HIS A 44 -22.392 -7.073 12.667 1.00 3.72 O ATOM 656 CB HIS A 44 -22.485 -10.150 12.501 1.00 4.61 C ATOM 657 CG HIS A 44 -23.912 -9.716 12.348 1.00 5.23 C ATOM 658 ND1 HIS A 44 -24.361 -8.910 11.323 1.00 5.76 N ATOM 659 CD2 HIS A 44 -24.994 -9.988 13.106 1.00 5.72 C ATOM 660 CE1 HIS A 44 -25.656 -8.707 11.462 1.00 6.54 C ATOM 661 NE2 HIS A 44 -26.063 -9.350 12.538 1.00 6.49 N ATOM 0 H HIS A 44 -23.179 -9.449 14.782 1.00 4.15 H new ATOM 0 HA HIS A 44 -20.646 -9.690 13.507 1.00 4.05 H new ATOM 0 HB2 HIS A 44 -22.028 -10.204 11.513 1.00 4.61 H new ATOM 0 HB3 HIS A 44 -22.468 -11.158 12.916 1.00 4.61 H new ATOM 0 HD2 HIS A 44 -25.013 -10.597 13.997 1.00 5.72 H new ATOM 0 HE1 HIS A 44 -26.277 -8.115 10.806 1.00 6.54 H new ATOM 0 HE2 HIS A 44 -27.020 -9.369 12.890 1.00 6.49 H new ATOM 670 N ILE A 45 -20.238 -7.592 12.297 1.00 3.31 N ATOM 671 CA ILE A 45 -19.937 -6.333 11.649 1.00 3.06 C ATOM 672 C ILE A 45 -20.340 -6.361 10.179 1.00 2.33 C ATOM 673 O ILE A 45 -20.470 -7.432 9.577 1.00 2.50 O ATOM 674 CB ILE A 45 -18.438 -5.969 11.798 1.00 3.87 C ATOM 675 CG1 ILE A 45 -17.522 -7.150 11.439 1.00 4.51 C ATOM 676 CG2 ILE A 45 -18.150 -5.494 13.214 1.00 4.43 C ATOM 677 CD1 ILE A 45 -17.300 -7.334 9.951 1.00 5.17 C ATOM 0 H ILE A 45 -19.444 -8.227 12.376 1.00 3.31 H new ATOM 0 HA ILE A 45 -20.523 -5.560 12.147 1.00 3.06 H new ATOM 0 HB ILE A 45 -18.226 -5.162 11.096 1.00 3.87 H new ATOM 0 HG12 ILE A 45 -16.556 -7.007 11.924 1.00 4.51 H new ATOM 0 HG13 ILE A 45 -17.951 -8.065 11.847 1.00 4.51 H new ATOM 0 HG21 ILE A 45 -17.094 -5.242 13.305 1.00 4.43 H new ATOM 0 HG22 ILE A 45 -18.754 -4.613 13.432 1.00 4.43 H new ATOM 0 HG23 ILE A 45 -18.396 -6.287 13.921 1.00 4.43 H new ATOM 0 HD11 ILE A 45 -16.643 -8.188 9.784 1.00 5.17 H new ATOM 0 HD12 ILE A 45 -18.257 -7.511 9.460 1.00 5.17 H new ATOM 0 HD13 ILE A 45 -16.840 -6.436 9.538 1.00 5.17 H new ATOM 689 N GLY A 46 -20.550 -5.187 9.616 1.00 2.18 N ATOM 690 CA GLY A 46 -20.924 -5.082 8.223 1.00 2.10 C ATOM 691 C GLY A 46 -20.234 -3.920 7.553 1.00 1.86 C ATOM 692 O GLY A 46 -19.836 -2.966 8.223 1.00 2.51 O ATOM 0 H GLY A 46 -20.468 -4.294 10.103 1.00 2.18 H new ATOM 0 HA2 GLY A 46 -20.668 -6.006 7.705 1.00 2.10 H new ATOM 0 HA3 GLY A 46 -22.004 -4.961 8.143 1.00 2.10 H new ATOM 696 N ALA A 47 -20.086 -3.995 6.243 1.00 1.36 N ATOM 697 CA ALA A 47 -19.396 -2.951 5.500 1.00 1.12 C ATOM 698 C ALA A 47 -20.367 -1.876 5.028 1.00 1.01 C ATOM 699 O ALA A 47 -21.581 -2.007 5.191 1.00 1.17 O ATOM 700 CB ALA A 47 -18.657 -3.546 4.328 1.00 1.29 C ATOM 0 H ALA A 47 -20.433 -4.765 5.671 1.00 1.36 H new ATOM 0 HA ALA A 47 -18.675 -2.480 6.169 1.00 1.12 H new ATOM 0 HB1 ALA A 47 -18.145 -2.754 3.781 1.00 1.29 H new ATOM 0 HB2 ALA A 47 -17.926 -4.269 4.688 1.00 1.29 H new ATOM 0 HB3 ALA A 47 -19.365 -4.045 3.667 1.00 1.29 H new ATOM 706 N TYR A 48 -19.833 -0.825 4.418 1.00 0.85 N ATOM 707 CA TYR A 48 -20.597 0.379 4.171 1.00 0.89 C ATOM 708 C TYR A 48 -20.304 0.945 2.787 1.00 0.81 C ATOM 709 O TYR A 48 -19.363 0.518 2.122 1.00 0.73 O ATOM 710 CB TYR A 48 -20.194 1.383 5.232 1.00 0.97 C ATOM 711 CG TYR A 48 -18.699 1.431 5.380 1.00 0.94 C ATOM 712 CD1 TYR A 48 -17.931 2.297 4.621 1.00 1.20 C ATOM 713 CD2 TYR A 48 -18.065 0.630 6.299 1.00 0.92 C ATOM 714 CE1 TYR A 48 -16.565 2.354 4.780 1.00 1.40 C ATOM 715 CE2 TYR A 48 -16.699 0.678 6.470 1.00 1.15 C ATOM 716 CZ TYR A 48 -15.940 1.500 5.593 1.00 1.37 C ATOM 717 OH TYR A 48 -14.587 1.594 5.872 1.00 1.70 O ATOM 0 H TYR A 48 -18.869 -0.788 4.086 1.00 0.85 H new ATOM 0 HA TYR A 48 -21.664 0.160 4.212 1.00 0.89 H new ATOM 0 HB2 TYR A 48 -20.570 2.371 4.966 1.00 0.97 H new ATOM 0 HB3 TYR A 48 -20.650 1.115 6.185 1.00 0.97 H new ATOM 0 HD1 TYR A 48 -18.410 2.936 3.894 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -18.650 -0.051 6.900 1.00 0.92 H new ATOM 0 HE1 TYR A 48 -15.994 3.096 4.242 1.00 1.40 H new ATOM 0 HE2 TYR A 48 -16.217 0.106 7.250 1.00 1.15 H new ATOM 0 HH TYR A 48 -14.195 0.696 5.897 1.00 1.70 H new ATOM 727 N GLN A 49 -21.101 1.917 2.373 1.00 0.91 N ATOM 728 CA GLN A 49 -20.879 2.611 1.113 1.00 0.89 C ATOM 729 C GLN A 49 -20.658 4.097 1.380 1.00 0.90 C ATOM 730 O GLN A 49 -21.549 4.775 1.883 1.00 1.02 O ATOM 731 CB GLN A 49 -22.076 2.421 0.177 1.00 1.02 C ATOM 732 CG GLN A 49 -22.410 0.965 -0.100 1.00 1.09 C ATOM 733 CD GLN A 49 -23.596 0.801 -1.030 1.00 1.45 C ATOM 734 OE1 GLN A 49 -23.850 1.639 -1.890 1.00 1.87 O ATOM 735 NE2 GLN A 49 -24.324 -0.295 -0.881 1.00 1.91 N ATOM 0 H GLN A 49 -21.913 2.246 2.895 1.00 0.91 H new ATOM 0 HA GLN A 49 -19.995 2.193 0.632 1.00 0.89 H new ATOM 0 HB2 GLN A 49 -22.948 2.908 0.614 1.00 1.02 H new ATOM 0 HB3 GLN A 49 -21.870 2.923 -0.768 1.00 1.02 H new ATOM 0 HG2 GLN A 49 -21.541 0.474 -0.537 1.00 1.09 H new ATOM 0 HG3 GLN A 49 -22.621 0.460 0.843 1.00 1.09 H new ATOM 0 HE21 GLN A 49 -24.085 -0.971 -0.156 1.00 1.91 H new ATOM 0 HE22 GLN A 49 -25.124 -0.463 -1.491 1.00 1.91 H new ATOM 744 N VAL A 50 -19.468 4.592 1.069 1.00 0.85 N ATOM 745 CA VAL A 50 -19.138 5.996 1.341 1.00 0.91 C ATOM 746 C VAL A 50 -19.550 6.893 0.175 1.00 0.96 C ATOM 747 O VAL A 50 -19.546 6.470 -0.973 1.00 1.01 O ATOM 748 CB VAL A 50 -17.634 6.187 1.627 1.00 0.93 C ATOM 749 CG1 VAL A 50 -17.345 7.590 2.143 1.00 1.53 C ATOM 750 CG2 VAL A 50 -17.137 5.151 2.617 1.00 1.34 C ATOM 0 H VAL A 50 -18.719 4.055 0.633 1.00 0.85 H new ATOM 0 HA VAL A 50 -19.698 6.283 2.231 1.00 0.91 H new ATOM 0 HB VAL A 50 -17.100 6.053 0.686 1.00 0.93 H new ATOM 0 HG11 VAL A 50 -16.277 7.694 2.335 1.00 1.53 H new ATOM 0 HG12 VAL A 50 -17.652 8.323 1.397 1.00 1.53 H new ATOM 0 HG13 VAL A 50 -17.898 7.759 3.067 1.00 1.53 H new ATOM 0 HG21 VAL A 50 -16.074 5.306 2.803 1.00 1.34 H new ATOM 0 HG22 VAL A 50 -17.687 5.249 3.553 1.00 1.34 H new ATOM 0 HG23 VAL A 50 -17.292 4.153 2.208 1.00 1.34 H new ATOM 760 N THR A 51 -19.866 8.139 0.489 1.00 1.09 N ATOM 761 CA THR A 51 -20.416 9.083 -0.469 1.00 1.16 C ATOM 762 C THR A 51 -19.766 10.460 -0.298 1.00 1.19 C ATOM 763 O THR A 51 -20.214 11.277 0.505 1.00 1.28 O ATOM 764 CB THR A 51 -21.942 9.182 -0.268 1.00 1.29 C ATOM 765 OG1 THR A 51 -22.534 7.897 -0.512 1.00 1.51 O ATOM 766 CG2 THR A 51 -22.559 10.213 -1.202 1.00 1.42 C ATOM 0 H THR A 51 -19.747 8.527 1.425 1.00 1.09 H new ATOM 0 HA THR A 51 -20.207 8.732 -1.479 1.00 1.16 H new ATOM 0 HB THR A 51 -22.135 9.498 0.757 1.00 1.29 H new ATOM 0 HG1 THR A 51 -23.499 7.945 -0.348 1.00 1.51 H new ATOM 0 HG21 THR A 51 -23.635 10.258 -1.035 1.00 1.42 H new ATOM 0 HG22 THR A 51 -22.120 11.191 -1.005 1.00 1.42 H new ATOM 0 HG23 THR A 51 -22.364 9.930 -2.236 1.00 1.42 H new ATOM 774 N VAL A 52 -18.680 10.701 -1.030 1.00 1.36 N ATOM 775 CA VAL A 52 -18.031 12.011 -1.024 1.00 1.62 C ATOM 776 C VAL A 52 -18.981 13.058 -1.606 1.00 1.81 C ATOM 777 O VAL A 52 -19.528 13.892 -0.888 1.00 2.11 O ATOM 778 CB VAL A 52 -16.684 12.001 -1.799 1.00 1.88 C ATOM 779 CG1 VAL A 52 -16.810 11.268 -3.133 1.00 1.98 C ATOM 780 CG2 VAL A 52 -16.178 13.421 -2.033 1.00 2.27 C ATOM 0 H VAL A 52 -18.232 10.010 -1.632 1.00 1.36 H new ATOM 0 HA VAL A 52 -17.799 12.266 0.010 1.00 1.62 H new ATOM 0 HB VAL A 52 -15.962 11.466 -1.182 1.00 1.88 H new ATOM 0 HG11 VAL A 52 -15.849 11.281 -3.647 1.00 1.98 H new ATOM 0 HG12 VAL A 52 -17.112 10.236 -2.954 1.00 1.98 H new ATOM 0 HG13 VAL A 52 -17.559 11.763 -3.751 1.00 1.98 H new ATOM 0 HG21 VAL A 52 -15.234 13.386 -2.577 1.00 2.27 H new ATOM 0 HG22 VAL A 52 -16.912 13.978 -2.616 1.00 2.27 H new ATOM 0 HG23 VAL A 52 -16.026 13.916 -1.074 1.00 2.27 H new ATOM 790 N ASN A 53 -19.167 12.991 -2.907 1.00 1.81 N ATOM 791 CA ASN A 53 -20.183 13.743 -3.586 1.00 1.99 C ATOM 792 C ASN A 53 -21.379 12.832 -3.801 1.00 1.80 C ATOM 793 O ASN A 53 -22.492 13.111 -3.360 1.00 1.82 O ATOM 794 CB ASN A 53 -19.643 14.288 -4.916 1.00 2.39 C ATOM 795 CG ASN A 53 -18.727 13.345 -5.676 1.00 3.10 C ATOM 796 OD1 ASN A 53 -18.765 12.124 -5.513 1.00 3.68 O ATOM 797 ND2 ASN A 53 -17.907 13.911 -6.533 1.00 3.42 N ATOM 0 H ASN A 53 -18.606 12.404 -3.524 1.00 1.81 H new ATOM 0 HA ASN A 53 -20.487 14.602 -2.989 1.00 1.99 H new ATOM 0 HB2 ASN A 53 -20.488 14.543 -5.556 1.00 2.39 H new ATOM 0 HB3 ASN A 53 -19.102 15.214 -4.718 1.00 2.39 H new ATOM 0 HD21 ASN A 53 -17.275 13.336 -7.090 1.00 3.42 H new ATOM 0 HD22 ASN A 53 -17.903 14.925 -6.642 1.00 3.42 H new ATOM 804 N ASP A 54 -21.101 11.739 -4.479 1.00 1.81 N ATOM 805 CA ASP A 54 -21.993 10.599 -4.603 1.00 1.82 C ATOM 806 C ASP A 54 -21.272 9.505 -5.361 1.00 2.08 C ATOM 807 O ASP A 54 -21.441 9.327 -6.571 1.00 2.23 O ATOM 808 CB ASP A 54 -23.304 10.954 -5.277 1.00 2.01 C ATOM 809 CG ASP A 54 -24.165 9.734 -5.556 1.00 2.47 C ATOM 810 OD1 ASP A 54 -24.388 8.929 -4.625 1.00 2.99 O ATOM 811 OD2 ASP A 54 -24.611 9.570 -6.711 1.00 2.69 O ATOM 0 H ASP A 54 -20.220 11.612 -4.977 1.00 1.81 H new ATOM 0 HA ASP A 54 -22.256 10.255 -3.603 1.00 1.82 H new ATOM 0 HB2 ASP A 54 -23.857 11.648 -4.645 1.00 2.01 H new ATOM 0 HB3 ASP A 54 -23.098 11.471 -6.214 1.00 2.01 H new ATOM 816 N LYS A 55 -20.419 8.810 -4.643 1.00 2.27 N ATOM 817 CA LYS A 55 -19.628 7.749 -5.214 1.00 2.75 C ATOM 818 C LYS A 55 -19.536 6.646 -4.187 1.00 1.92 C ATOM 819 O LYS A 55 -18.544 6.548 -3.474 1.00 2.45 O ATOM 820 CB LYS A 55 -18.232 8.259 -5.588 1.00 4.02 C ATOM 821 CG LYS A 55 -17.505 7.382 -6.596 1.00 5.04 C ATOM 822 CD LYS A 55 -18.204 7.392 -7.950 1.00 5.92 C ATOM 823 CE LYS A 55 -18.277 8.801 -8.524 1.00 6.66 C ATOM 824 NZ LYS A 55 -19.000 8.846 -9.824 1.00 7.36 N ATOM 0 H LYS A 55 -20.256 8.966 -3.648 1.00 2.27 H new ATOM 0 HA LYS A 55 -20.092 7.378 -6.128 1.00 2.75 H new ATOM 0 HB2 LYS A 55 -18.321 9.266 -5.995 1.00 4.02 H new ATOM 0 HB3 LYS A 55 -17.628 8.333 -4.683 1.00 4.02 H new ATOM 0 HG2 LYS A 55 -16.479 7.732 -6.712 1.00 5.04 H new ATOM 0 HG3 LYS A 55 -17.452 6.360 -6.220 1.00 5.04 H new ATOM 0 HD2 LYS A 55 -17.669 6.742 -8.643 1.00 5.92 H new ATOM 0 HD3 LYS A 55 -19.211 6.987 -7.845 1.00 5.92 H new ATOM 0 HE2 LYS A 55 -18.777 9.456 -7.810 1.00 6.66 H new ATOM 0 HE3 LYS A 55 -17.267 9.188 -8.659 1.00 6.66 H new ATOM 0 HZ1 LYS A 55 -19.024 9.825 -10.174 1.00 7.36 H new ATOM 0 HZ2 LYS A 55 -18.510 8.243 -10.515 1.00 7.36 H new ATOM 0 HZ3 LYS A 55 -19.973 8.502 -9.692 1.00 7.36 H new ATOM 838 N LYS A 56 -20.600 5.855 -4.105 1.00 1.27 N ATOM 839 CA LYS A 56 -20.778 4.881 -3.034 1.00 1.10 C ATOM 840 C LYS A 56 -19.715 3.790 -3.056 1.00 1.03 C ATOM 841 O LYS A 56 -19.936 2.684 -3.555 1.00 1.91 O ATOM 842 CB LYS A 56 -22.182 4.278 -3.116 1.00 1.91 C ATOM 843 CG LYS A 56 -23.274 5.237 -2.662 1.00 2.63 C ATOM 844 CD LYS A 56 -24.662 4.707 -2.984 1.00 3.33 C ATOM 845 CE LYS A 56 -24.961 4.805 -4.471 1.00 3.92 C ATOM 846 NZ LYS A 56 -25.127 6.218 -4.908 1.00 4.46 N ATOM 0 H LYS A 56 -21.365 5.871 -4.780 1.00 1.27 H new ATOM 0 HA LYS A 56 -20.662 5.404 -2.085 1.00 1.10 H new ATOM 0 HB2 LYS A 56 -22.380 3.973 -4.143 1.00 1.91 H new ATOM 0 HB3 LYS A 56 -22.220 3.378 -2.503 1.00 1.91 H new ATOM 0 HG2 LYS A 56 -23.189 5.403 -1.588 1.00 2.63 H new ATOM 0 HG3 LYS A 56 -23.133 6.203 -3.146 1.00 2.63 H new ATOM 0 HD2 LYS A 56 -24.740 3.668 -2.663 1.00 3.33 H new ATOM 0 HD3 LYS A 56 -25.408 5.271 -2.423 1.00 3.33 H new ATOM 0 HE2 LYS A 56 -24.152 4.342 -5.036 1.00 3.92 H new ATOM 0 HE3 LYS A 56 -25.869 4.245 -4.697 1.00 3.92 H new ATOM 0 HZ1 LYS A 56 -26.110 6.375 -5.210 1.00 4.46 H new ATOM 0 HZ2 LYS A 56 -24.902 6.855 -4.117 1.00 4.46 H new ATOM 0 HZ3 LYS A 56 -24.485 6.413 -5.703 1.00 4.46 H new ATOM 860 N ILE A 57 -18.560 4.115 -2.495 1.00 0.92 N ATOM 861 CA ILE A 57 -17.470 3.170 -2.367 1.00 0.72 C ATOM 862 C ILE A 57 -17.768 2.196 -1.251 1.00 0.69 C ATOM 863 O ILE A 57 -17.711 2.548 -0.069 1.00 0.80 O ATOM 864 CB ILE A 57 -16.128 3.869 -2.075 1.00 0.65 C ATOM 865 CG1 ILE A 57 -15.851 4.965 -3.105 1.00 0.73 C ATOM 866 CG2 ILE A 57 -14.998 2.848 -2.071 1.00 0.71 C ATOM 867 CD1 ILE A 57 -14.641 5.807 -2.771 1.00 0.75 C ATOM 0 H ILE A 57 -18.356 5.040 -2.118 1.00 0.92 H new ATOM 0 HA ILE A 57 -17.380 2.647 -3.319 1.00 0.72 H new ATOM 0 HB ILE A 57 -16.188 4.335 -1.091 1.00 0.65 H new ATOM 0 HG12 ILE A 57 -15.707 4.507 -4.083 1.00 0.73 H new ATOM 0 HG13 ILE A 57 -16.725 5.612 -3.181 1.00 0.73 H new ATOM 0 HG21 ILE A 57 -14.054 3.351 -1.864 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -15.187 2.099 -1.301 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -14.944 2.361 -3.045 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -14.501 6.565 -3.542 1.00 0.75 H new ATOM 0 HD12 ILE A 57 -14.791 6.293 -1.807 1.00 0.75 H new ATOM 0 HD13 ILE A 57 -13.757 5.171 -2.723 1.00 0.75 H new ATOM 879 N THR A 58 -18.112 0.986 -1.627 1.00 0.71 N ATOM 880 CA THR A 58 -18.393 -0.044 -0.664 1.00 0.71 C ATOM 881 C THR A 58 -17.093 -0.696 -0.218 1.00 0.71 C ATOM 882 O THR A 58 -16.569 -1.583 -0.892 1.00 0.82 O ATOM 883 CB THR A 58 -19.331 -1.109 -1.258 1.00 0.85 C ATOM 884 OG1 THR A 58 -20.379 -0.466 -1.996 1.00 0.96 O ATOM 885 CG2 THR A 58 -19.933 -1.975 -0.162 1.00 0.86 C ATOM 0 H THR A 58 -18.203 0.693 -2.600 1.00 0.71 H new ATOM 0 HA THR A 58 -18.888 0.411 0.194 1.00 0.71 H new ATOM 0 HB THR A 58 -18.751 -1.750 -1.922 1.00 0.85 H new ATOM 0 HG1 THR A 58 -20.975 -1.145 -2.376 1.00 0.96 H new ATOM 0 HG21 THR A 58 -20.592 -2.720 -0.608 1.00 0.86 H new ATOM 0 HG22 THR A 58 -19.135 -2.477 0.384 1.00 0.86 H new ATOM 0 HG23 THR A 58 -20.504 -1.349 0.524 1.00 0.86 H new ATOM 893 N PHE A 59 -16.548 -0.218 0.886 1.00 0.67 N ATOM 894 CA PHE A 59 -15.340 -0.807 1.443 1.00 0.77 C ATOM 895 C PHE A 59 -15.646 -2.193 1.992 1.00 0.96 C ATOM 896 O PHE A 59 -16.280 -2.316 3.035 1.00 1.57 O ATOM 897 CB PHE A 59 -14.736 0.088 2.529 1.00 0.80 C ATOM 898 CG PHE A 59 -14.131 1.355 1.992 1.00 0.72 C ATOM 899 CD1 PHE A 59 -14.892 2.501 1.849 1.00 1.04 C ATOM 900 CD2 PHE A 59 -12.797 1.394 1.625 1.00 1.07 C ATOM 901 CE1 PHE A 59 -14.337 3.662 1.346 1.00 1.06 C ATOM 902 CE2 PHE A 59 -12.235 2.552 1.123 1.00 1.10 C ATOM 903 CZ PHE A 59 -13.005 3.689 0.983 1.00 0.80 C ATOM 0 H PHE A 59 -16.919 0.572 1.414 1.00 0.67 H new ATOM 0 HA PHE A 59 -14.601 -0.898 0.647 1.00 0.77 H new ATOM 0 HB2 PHE A 59 -15.511 0.342 3.252 1.00 0.80 H new ATOM 0 HB3 PHE A 59 -13.970 -0.472 3.066 1.00 0.80 H new ATOM 0 HD1 PHE A 59 -15.934 2.488 2.134 1.00 1.04 H new ATOM 0 HD2 PHE A 59 -12.188 0.509 1.732 1.00 1.07 H new ATOM 0 HE1 PHE A 59 -14.945 4.548 1.237 1.00 1.06 H new ATOM 0 HE2 PHE A 59 -11.193 2.568 0.840 1.00 1.10 H new ATOM 0 HZ PHE A 59 -12.568 4.596 0.591 1.00 0.80 H new ATOM 913 N LEU A 60 -15.184 -3.216 1.263 1.00 1.19 N ATOM 914 CA LEU A 60 -15.485 -4.625 1.544 1.00 1.38 C ATOM 915 C LEU A 60 -16.903 -4.978 1.093 1.00 1.95 C ATOM 916 O LEU A 60 -17.881 -4.345 1.492 1.00 2.65 O ATOM 917 CB LEU A 60 -15.285 -4.966 3.029 1.00 1.84 C ATOM 918 CG LEU A 60 -15.579 -6.420 3.410 1.00 2.35 C ATOM 919 CD1 LEU A 60 -14.616 -7.370 2.708 1.00 2.89 C ATOM 920 CD2 LEU A 60 -15.499 -6.600 4.917 1.00 3.21 C ATOM 0 H LEU A 60 -14.582 -3.086 0.450 1.00 1.19 H new ATOM 0 HA LEU A 60 -14.780 -5.229 0.972 1.00 1.38 H new ATOM 0 HB2 LEU A 60 -14.255 -4.737 3.302 1.00 1.84 H new ATOM 0 HB3 LEU A 60 -15.925 -4.315 3.624 1.00 1.84 H new ATOM 0 HG LEU A 60 -16.591 -6.660 3.084 1.00 2.35 H new ATOM 0 HD11 LEU A 60 -14.844 -8.397 2.994 1.00 2.89 H new ATOM 0 HD12 LEU A 60 -14.721 -7.262 1.628 1.00 2.89 H new ATOM 0 HD13 LEU A 60 -13.593 -7.131 2.999 1.00 2.89 H new ATOM 0 HD21 LEU A 60 -15.710 -7.639 5.171 1.00 3.21 H new ATOM 0 HD22 LEU A 60 -14.499 -6.338 5.262 1.00 3.21 H new ATOM 0 HD23 LEU A 60 -16.230 -5.952 5.400 1.00 3.21 H new ATOM 932 N ASP A 61 -17.005 -5.981 0.234 1.00 2.43 N ATOM 933 CA ASP A 61 -18.294 -6.438 -0.263 1.00 3.40 C ATOM 934 C ASP A 61 -18.873 -7.513 0.651 1.00 3.45 C ATOM 935 O ASP A 61 -18.411 -8.657 0.668 1.00 3.73 O ATOM 936 CB ASP A 61 -18.136 -6.969 -1.691 1.00 4.36 C ATOM 937 CG ASP A 61 -19.410 -7.560 -2.256 1.00 5.14 C ATOM 938 OD1 ASP A 61 -20.451 -6.873 -2.246 1.00 5.61 O ATOM 939 OD2 ASP A 61 -19.364 -8.714 -2.741 1.00 5.55 O ATOM 0 H ASP A 61 -16.206 -6.496 -0.135 1.00 2.43 H new ATOM 0 HA ASP A 61 -18.988 -5.598 -0.273 1.00 3.40 H new ATOM 0 HB2 ASP A 61 -17.802 -6.158 -2.338 1.00 4.36 H new ATOM 0 HB3 ASP A 61 -17.355 -7.729 -1.704 1.00 4.36 H new ATOM 944 N THR A 62 -19.884 -7.120 1.426 1.00 3.65 N ATOM 945 CA THR A 62 -20.548 -8.019 2.363 1.00 4.03 C ATOM 946 C THR A 62 -21.113 -9.269 1.661 1.00 4.27 C ATOM 947 O THR A 62 -20.887 -10.380 2.139 1.00 4.71 O ATOM 948 CB THR A 62 -21.673 -7.294 3.131 1.00 4.83 C ATOM 949 OG1 THR A 62 -21.183 -6.051 3.658 1.00 5.19 O ATOM 950 CG2 THR A 62 -22.197 -8.155 4.273 1.00 5.45 C ATOM 0 H THR A 62 -20.263 -6.173 1.420 1.00 3.65 H new ATOM 0 HA THR A 62 -19.789 -8.345 3.074 1.00 4.03 H new ATOM 0 HB THR A 62 -22.490 -7.103 2.435 1.00 4.83 H new ATOM 0 HG1 THR A 62 -21.902 -5.595 4.143 1.00 5.19 H new ATOM 0 HG21 THR A 62 -22.989 -7.621 4.798 1.00 5.45 H new ATOM 0 HG22 THR A 62 -22.593 -9.089 3.873 1.00 5.45 H new ATOM 0 HG23 THR A 62 -21.385 -8.373 4.967 1.00 5.45 H new ATOM 958 N PRO A 63 -21.873 -9.117 0.544 1.00 4.49 N ATOM 959 CA PRO A 63 -22.346 -10.259 -0.256 1.00 5.20 C ATOM 960 C PRO A 63 -21.260 -11.313 -0.479 1.00 5.56 C ATOM 961 O PRO A 63 -21.420 -12.469 -0.083 1.00 6.11 O ATOM 962 CB PRO A 63 -22.753 -9.606 -1.573 1.00 5.69 C ATOM 963 CG PRO A 63 -23.234 -8.255 -1.171 1.00 5.34 C ATOM 964 CD PRO A 63 -22.374 -7.838 -0.006 1.00 4.58 C ATOM 0 HA PRO A 63 -23.153 -10.802 0.236 1.00 5.20 H new ATOM 0 HB2 PRO A 63 -21.912 -9.541 -2.263 1.00 5.69 H new ATOM 0 HB3 PRO A 63 -23.535 -10.175 -2.076 1.00 5.69 H new ATOM 0 HG2 PRO A 63 -23.144 -7.548 -1.995 1.00 5.34 H new ATOM 0 HG3 PRO A 63 -24.286 -8.283 -0.889 1.00 5.34 H new ATOM 0 HD2 PRO A 63 -21.556 -7.193 -0.325 1.00 4.58 H new ATOM 0 HD3 PRO A 63 -22.948 -7.282 0.735 1.00 4.58 H new ATOM 972 N GLY A 64 -20.156 -10.915 -1.102 1.00 5.49 N ATOM 973 CA GLY A 64 -19.021 -11.808 -1.220 1.00 6.04 C ATOM 974 C GLY A 64 -18.709 -12.211 -2.647 1.00 5.99 C ATOM 975 O GLY A 64 -18.708 -13.397 -2.974 1.00 6.36 O ATOM 0 H GLY A 64 -20.028 -9.996 -1.525 1.00 5.49 H new ATOM 0 HA2 GLY A 64 -18.144 -11.326 -0.788 1.00 6.04 H new ATOM 0 HA3 GLY A 64 -19.213 -12.705 -0.632 1.00 6.04 H new ATOM 979 N HIS A 65 -18.444 -11.231 -3.502 1.00 5.85 N ATOM 980 CA HIS A 65 -18.008 -11.519 -4.866 1.00 6.04 C ATOM 981 C HIS A 65 -16.487 -11.656 -4.912 1.00 5.42 C ATOM 982 O HIS A 65 -15.919 -12.079 -5.916 1.00 5.51 O ATOM 983 CB HIS A 65 -18.462 -10.418 -5.841 1.00 6.53 C ATOM 984 CG HIS A 65 -17.607 -9.183 -5.822 1.00 7.30 C ATOM 985 ND1 HIS A 65 -17.693 -8.224 -4.841 1.00 8.05 N ATOM 986 CD2 HIS A 65 -16.632 -8.765 -6.667 1.00 7.71 C ATOM 987 CE1 HIS A 65 -16.810 -7.273 -5.079 1.00 8.78 C ATOM 988 NE2 HIS A 65 -16.153 -7.577 -6.180 1.00 8.61 N ATOM 0 H HIS A 65 -18.522 -10.239 -3.280 1.00 5.85 H new ATOM 0 HA HIS A 65 -18.467 -12.458 -5.174 1.00 6.04 H new ATOM 0 HB2 HIS A 65 -18.469 -10.825 -6.852 1.00 6.53 H new ATOM 0 HB3 HIS A 65 -19.488 -10.139 -5.603 1.00 6.53 H new ATOM 0 HD1 HIS A 65 -18.339 -8.244 -4.052 1.00 8.05 H new ATOM 0 HD2 HIS A 65 -16.296 -9.274 -7.558 1.00 7.71 H new ATOM 0 HE1 HIS A 65 -16.652 -6.393 -4.473 1.00 8.78 H new ATOM 0 HE2 HIS A 65 -15.410 -7.019 -6.601 1.00 8.61 H new ATOM 997 N GLU A 66 -15.846 -11.278 -3.811 1.00 5.13 N ATOM 998 CA GLU A 66 -14.391 -11.244 -3.729 1.00 4.83 C ATOM 999 C GLU A 66 -13.830 -12.617 -3.387 1.00 4.30 C ATOM 1000 O GLU A 66 -14.541 -13.625 -3.405 1.00 4.72 O ATOM 1001 CB GLU A 66 -13.950 -10.268 -2.642 1.00 5.31 C ATOM 1002 CG GLU A 66 -14.480 -8.859 -2.794 1.00 5.97 C ATOM 1003 CD GLU A 66 -14.213 -8.032 -1.553 1.00 6.59 C ATOM 1004 OE1 GLU A 66 -13.135 -8.205 -0.945 1.00 6.87 O ATOM 1005 OE2 GLU A 66 -15.086 -7.234 -1.165 1.00 7.05 O ATOM 0 H GLU A 66 -16.318 -10.988 -2.955 1.00 5.13 H new ATOM 0 HA GLU A 66 -14.015 -10.928 -4.702 1.00 4.83 H new ATOM 0 HB2 GLU A 66 -14.268 -10.657 -1.675 1.00 5.31 H new ATOM 0 HB3 GLU A 66 -12.861 -10.231 -2.628 1.00 5.31 H new ATOM 0 HG2 GLU A 66 -14.013 -8.384 -3.657 1.00 5.97 H new ATOM 0 HG3 GLU A 66 -15.552 -8.891 -2.988 1.00 5.97 H new ATOM 1012 N ALA A 67 -12.546 -12.635 -3.057 1.00 3.82 N ATOM 1013 CA ALA A 67 -11.866 -13.841 -2.622 1.00 3.70 C ATOM 1014 C ALA A 67 -10.676 -13.482 -1.747 1.00 2.58 C ATOM 1015 O ALA A 67 -9.608 -14.094 -1.835 1.00 2.95 O ATOM 1016 CB ALA A 67 -11.411 -14.650 -3.819 1.00 4.55 C ATOM 0 H ALA A 67 -11.947 -11.810 -3.084 1.00 3.82 H new ATOM 0 HA ALA A 67 -12.562 -14.445 -2.040 1.00 3.70 H new ATOM 0 HB1 ALA A 67 -10.903 -15.551 -3.477 1.00 4.55 H new ATOM 0 HB2 ALA A 67 -12.276 -14.928 -4.421 1.00 4.55 H new ATOM 0 HB3 ALA A 67 -10.726 -14.054 -4.422 1.00 4.55 H new ATOM 1022 N PHE A 68 -10.861 -12.480 -0.901 1.00 1.79 N ATOM 1023 CA PHE A 68 -9.762 -11.937 -0.112 1.00 1.15 C ATOM 1024 C PHE A 68 -9.825 -12.321 1.364 1.00 1.77 C ATOM 1025 O PHE A 68 -8.810 -12.267 2.055 1.00 2.37 O ATOM 1026 CB PHE A 68 -9.706 -10.423 -0.260 1.00 1.18 C ATOM 1027 CG PHE A 68 -9.375 -9.985 -1.654 1.00 1.12 C ATOM 1028 CD1 PHE A 68 -8.094 -10.161 -2.164 1.00 1.08 C ATOM 1029 CD2 PHE A 68 -10.341 -9.406 -2.458 1.00 1.67 C ATOM 1030 CE1 PHE A 68 -7.790 -9.766 -3.452 1.00 1.52 C ATOM 1031 CE2 PHE A 68 -10.041 -9.009 -3.747 1.00 2.10 C ATOM 1032 CZ PHE A 68 -8.766 -9.187 -4.244 1.00 2.00 C ATOM 0 H PHE A 68 -11.760 -12.026 -0.742 1.00 1.79 H new ATOM 0 HA PHE A 68 -8.849 -12.383 -0.507 1.00 1.15 H new ATOM 0 HB2 PHE A 68 -10.667 -9.999 0.030 1.00 1.18 H new ATOM 0 HB3 PHE A 68 -8.961 -10.023 0.428 1.00 1.18 H new ATOM 0 HD1 PHE A 68 -7.330 -10.611 -1.548 1.00 1.08 H new ATOM 0 HD2 PHE A 68 -11.340 -9.263 -2.074 1.00 1.67 H new ATOM 0 HE1 PHE A 68 -6.792 -9.909 -3.840 1.00 1.52 H new ATOM 0 HE2 PHE A 68 -10.804 -8.560 -4.365 1.00 2.10 H new ATOM 0 HZ PHE A 68 -8.530 -8.875 -5.251 1.00 2.00 H new ATOM 1042 N THR A 69 -10.995 -12.703 1.854 1.00 2.35 N ATOM 1043 CA THR A 69 -11.114 -13.136 3.240 1.00 3.31 C ATOM 1044 C THR A 69 -12.369 -13.976 3.438 1.00 3.54 C ATOM 1045 O THR A 69 -13.462 -13.587 3.014 1.00 3.89 O ATOM 1046 CB THR A 69 -11.094 -11.936 4.223 1.00 4.11 C ATOM 1047 OG1 THR A 69 -11.090 -12.402 5.580 1.00 4.46 O ATOM 1048 CG2 THR A 69 -12.283 -11.007 4.004 1.00 4.90 C ATOM 0 H THR A 69 -11.865 -12.723 1.322 1.00 2.35 H new ATOM 0 HA THR A 69 -10.245 -13.755 3.464 1.00 3.31 H new ATOM 0 HB THR A 69 -10.182 -11.371 4.028 1.00 4.11 H new ATOM 0 HG1 THR A 69 -11.076 -11.635 6.189 1.00 4.46 H new ATOM 0 HG21 THR A 69 -12.233 -10.179 4.711 1.00 4.90 H new ATOM 0 HG22 THR A 69 -12.257 -10.617 2.987 1.00 4.90 H new ATOM 0 HG23 THR A 69 -13.210 -11.560 4.157 1.00 4.90 H new ATOM 1056 N THR A 70 -12.192 -15.149 4.054 1.00 3.82 N ATOM 1057 CA THR A 70 -13.275 -16.115 4.269 1.00 4.35 C ATOM 1058 C THR A 70 -13.709 -16.749 2.950 1.00 4.41 C ATOM 1059 O THR A 70 -13.580 -17.956 2.756 1.00 4.95 O ATOM 1060 CB THR A 70 -14.488 -15.466 4.968 1.00 5.16 C ATOM 1061 OG1 THR A 70 -14.066 -14.841 6.186 1.00 5.40 O ATOM 1062 CG2 THR A 70 -15.559 -16.502 5.273 1.00 5.84 C ATOM 0 H THR A 70 -11.291 -15.457 4.419 1.00 3.82 H new ATOM 0 HA THR A 70 -12.885 -16.894 4.924 1.00 4.35 H new ATOM 0 HB THR A 70 -14.911 -14.719 4.297 1.00 5.16 H new ATOM 0 HG1 THR A 70 -14.838 -14.428 6.627 1.00 5.40 H new ATOM 0 HG21 THR A 70 -16.403 -16.019 5.765 1.00 5.84 H new ATOM 0 HG22 THR A 70 -15.896 -16.962 4.344 1.00 5.84 H new ATOM 0 HG23 THR A 70 -15.147 -17.269 5.929 1.00 5.84 H new ATOM 1070 N MET A 71 -14.217 -15.920 2.056 1.00 4.19 N ATOM 1071 CA MET A 71 -14.554 -16.333 0.704 1.00 4.50 C ATOM 1072 C MET A 71 -13.276 -16.636 -0.077 1.00 4.86 C ATOM 1073 O MET A 71 -12.655 -15.743 -0.643 1.00 5.21 O ATOM 1074 CB MET A 71 -15.368 -15.222 0.023 1.00 4.42 C ATOM 1075 CG MET A 71 -14.776 -13.835 0.233 1.00 4.38 C ATOM 1076 SD MET A 71 -15.923 -12.497 -0.151 1.00 4.69 S ATOM 1077 CE MET A 71 -14.984 -11.084 0.435 1.00 4.34 C ATOM 0 H MET A 71 -14.409 -14.937 2.247 1.00 4.19 H new ATOM 0 HA MET A 71 -15.158 -17.240 0.731 1.00 4.50 H new ATOM 0 HB2 MET A 71 -15.428 -15.427 -1.046 1.00 4.42 H new ATOM 0 HB3 MET A 71 -16.387 -15.238 0.409 1.00 4.42 H new ATOM 0 HG2 MET A 71 -14.453 -13.740 1.270 1.00 4.38 H new ATOM 0 HG3 MET A 71 -13.887 -13.730 -0.389 1.00 4.38 H new ATOM 0 HE1 MET A 71 -15.376 -10.173 -0.017 1.00 4.34 H new ATOM 0 HE2 MET A 71 -15.068 -11.016 1.520 1.00 4.34 H new ATOM 0 HE3 MET A 71 -13.936 -11.204 0.159 1.00 4.34 H new ATOM 1087 N ARG A 72 -12.863 -17.895 -0.064 1.00 5.04 N ATOM 1088 CA ARG A 72 -11.625 -18.295 -0.720 1.00 5.54 C ATOM 1089 C ARG A 72 -11.865 -19.452 -1.681 1.00 5.80 C ATOM 1090 O ARG A 72 -10.922 -20.031 -2.213 1.00 6.36 O ATOM 1091 CB ARG A 72 -10.572 -18.688 0.322 1.00 5.95 C ATOM 1092 CG ARG A 72 -10.193 -17.552 1.261 1.00 6.36 C ATOM 1093 CD ARG A 72 -9.191 -18.000 2.315 1.00 6.73 C ATOM 1094 NE ARG A 72 -7.888 -18.335 1.738 1.00 7.09 N ATOM 1095 CZ ARG A 72 -6.935 -19.009 2.383 1.00 7.63 C ATOM 1096 NH1 ARG A 72 -7.148 -19.466 3.612 1.00 7.86 N ATOM 1097 NH2 ARG A 72 -5.775 -19.235 1.785 1.00 8.21 N ATOM 0 H ARG A 72 -13.365 -18.656 0.392 1.00 5.04 H new ATOM 0 HA ARG A 72 -11.257 -17.444 -1.293 1.00 5.54 H new ATOM 0 HB2 ARG A 72 -10.949 -19.524 0.910 1.00 5.95 H new ATOM 0 HB3 ARG A 72 -9.677 -19.038 -0.192 1.00 5.95 H new ATOM 0 HG2 ARG A 72 -9.770 -16.729 0.684 1.00 6.36 H new ATOM 0 HG3 ARG A 72 -11.089 -17.171 1.750 1.00 6.36 H new ATOM 0 HD2 ARG A 72 -9.066 -17.208 3.053 1.00 6.73 H new ATOM 0 HD3 ARG A 72 -9.586 -18.868 2.842 1.00 6.73 H new ATOM 0 HE ARG A 72 -7.697 -18.034 0.782 1.00 7.09 H new ATOM 0 HH11 ARG A 72 -8.045 -19.302 4.069 1.00 7.86 H new ATOM 0 HH12 ARG A 72 -6.414 -19.981 4.099 1.00 7.86 H new ATOM 0 HH21 ARG A 72 -5.615 -18.894 0.837 1.00 8.21 H new ATOM 0 HH22 ARG A 72 -5.042 -19.750 2.272 1.00 8.21 H new ATOM 1111 N ALA A 73 -13.131 -19.777 -1.906 1.00 5.58 N ATOM 1112 CA ALA A 73 -13.484 -20.857 -2.817 1.00 6.01 C ATOM 1113 C ALA A 73 -13.673 -20.320 -4.230 1.00 5.86 C ATOM 1114 O ALA A 73 -13.696 -21.075 -5.201 1.00 6.36 O ATOM 1115 CB ALA A 73 -14.742 -21.566 -2.342 1.00 6.36 C ATOM 0 H ALA A 73 -13.928 -19.310 -1.472 1.00 5.58 H new ATOM 0 HA ALA A 73 -12.668 -21.579 -2.829 1.00 6.01 H new ATOM 0 HB1 ALA A 73 -14.990 -22.370 -3.035 1.00 6.36 H new ATOM 0 HB2 ALA A 73 -14.572 -21.983 -1.349 1.00 6.36 H new ATOM 0 HB3 ALA A 73 -15.567 -20.855 -2.301 1.00 6.36 H new ATOM 1121 N ARG A 74 -13.817 -19.008 -4.334 1.00 5.40 N ATOM 1122 CA ARG A 74 -13.967 -18.354 -5.623 1.00 5.50 C ATOM 1123 C ARG A 74 -12.613 -17.871 -6.127 1.00 5.18 C ATOM 1124 O ARG A 74 -11.779 -17.415 -5.345 1.00 5.49 O ATOM 1125 CB ARG A 74 -14.927 -17.164 -5.519 1.00 6.12 C ATOM 1126 CG ARG A 74 -16.336 -17.535 -5.074 1.00 6.76 C ATOM 1127 CD ARG A 74 -17.247 -16.314 -5.069 1.00 7.55 C ATOM 1128 NE ARG A 74 -18.614 -16.641 -4.662 1.00 8.14 N ATOM 1129 CZ ARG A 74 -19.698 -16.004 -5.110 1.00 8.93 C ATOM 1130 NH1 ARG A 74 -19.575 -15.020 -5.996 1.00 9.21 N ATOM 1131 NH2 ARG A 74 -20.898 -16.357 -4.665 1.00 9.65 N ATOM 0 H ARG A 74 -13.833 -18.373 -3.536 1.00 5.40 H new ATOM 0 HA ARG A 74 -14.379 -19.079 -6.326 1.00 5.50 H new ATOM 0 HB2 ARG A 74 -14.515 -16.440 -4.816 1.00 6.12 H new ATOM 0 HB3 ARG A 74 -14.983 -16.671 -6.489 1.00 6.12 H new ATOM 0 HG2 ARG A 74 -16.744 -18.294 -5.741 1.00 6.76 H new ATOM 0 HG3 ARG A 74 -16.303 -17.972 -4.076 1.00 6.76 H new ATOM 0 HD2 ARG A 74 -16.839 -15.562 -4.393 1.00 7.55 H new ATOM 0 HD3 ARG A 74 -17.263 -15.872 -6.065 1.00 7.55 H new ATOM 0 HE ARG A 74 -18.747 -17.402 -3.996 1.00 8.14 H new ATOM 0 HH11 ARG A 74 -18.651 -14.751 -6.334 1.00 9.21 H new ATOM 0 HH12 ARG A 74 -20.405 -14.534 -6.337 1.00 9.21 H new ATOM 0 HH21 ARG A 74 -20.988 -17.111 -3.984 1.00 9.65 H new ATOM 0 HH22 ARG A 74 -21.730 -15.874 -5.004 1.00 9.65 H new ATOM 1145 N GLY A 75 -12.394 -17.987 -7.428 1.00 4.93 N ATOM 1146 CA GLY A 75 -11.167 -17.493 -8.016 1.00 4.87 C ATOM 1147 C GLY A 75 -11.264 -16.014 -8.325 1.00 4.49 C ATOM 1148 O GLY A 75 -12.084 -15.603 -9.148 1.00 4.54 O ATOM 0 H GLY A 75 -13.044 -18.415 -8.087 1.00 4.93 H new ATOM 0 HA2 GLY A 75 -10.336 -17.671 -7.333 1.00 4.87 H new ATOM 0 HA3 GLY A 75 -10.951 -18.045 -8.931 1.00 4.87 H new ATOM 1152 N ALA A 76 -10.441 -15.215 -7.661 1.00 4.53 N ATOM 1153 CA ALA A 76 -10.483 -13.768 -7.827 1.00 4.52 C ATOM 1154 C ALA A 76 -9.826 -13.346 -9.134 1.00 3.91 C ATOM 1155 O ALA A 76 -8.660 -12.953 -9.161 1.00 4.15 O ATOM 1156 CB ALA A 76 -9.817 -13.074 -6.648 1.00 5.47 C ATOM 0 H ALA A 76 -9.736 -15.544 -7.002 1.00 4.53 H new ATOM 0 HA ALA A 76 -11.530 -13.465 -7.862 1.00 4.52 H new ATOM 0 HB1 ALA A 76 -9.859 -11.994 -6.791 1.00 5.47 H new ATOM 0 HB2 ALA A 76 -10.338 -13.339 -5.728 1.00 5.47 H new ATOM 0 HB3 ALA A 76 -8.776 -13.391 -6.580 1.00 5.47 H new ATOM 1162 N GLN A 77 -10.582 -13.443 -10.217 1.00 3.61 N ATOM 1163 CA GLN A 77 -10.112 -13.006 -11.522 1.00 3.40 C ATOM 1164 C GLN A 77 -10.881 -11.754 -11.939 1.00 2.90 C ATOM 1165 O GLN A 77 -11.209 -11.552 -13.109 1.00 3.33 O ATOM 1166 CB GLN A 77 -10.284 -14.120 -12.556 1.00 4.25 C ATOM 1167 CG GLN A 77 -9.551 -13.862 -13.861 1.00 4.87 C ATOM 1168 CD GLN A 77 -9.685 -15.009 -14.834 1.00 5.70 C ATOM 1169 OE1 GLN A 77 -10.612 -15.049 -15.644 1.00 6.14 O ATOM 1170 NE2 GLN A 77 -8.761 -15.945 -14.763 1.00 6.26 N ATOM 0 H GLN A 77 -11.529 -13.823 -10.217 1.00 3.61 H new ATOM 0 HA GLN A 77 -9.050 -12.769 -11.464 1.00 3.40 H new ATOM 0 HB2 GLN A 77 -9.928 -15.058 -12.129 1.00 4.25 H new ATOM 0 HB3 GLN A 77 -11.346 -14.248 -12.765 1.00 4.25 H new ATOM 0 HG2 GLN A 77 -9.940 -12.953 -14.320 1.00 4.87 H new ATOM 0 HG3 GLN A 77 -8.495 -13.687 -13.653 1.00 4.87 H new ATOM 0 HE21 GLN A 77 -8.011 -15.870 -14.076 1.00 6.26 H new ATOM 0 HE22 GLN A 77 -8.795 -16.745 -15.395 1.00 6.26 H new ATOM 1179 N VAL A 78 -11.179 -10.926 -10.956 1.00 2.65 N ATOM 1180 CA VAL A 78 -11.895 -9.684 -11.181 1.00 2.75 C ATOM 1181 C VAL A 78 -11.074 -8.520 -10.634 1.00 2.21 C ATOM 1182 O VAL A 78 -10.389 -8.656 -9.619 1.00 2.72 O ATOM 1183 CB VAL A 78 -13.306 -9.724 -10.535 1.00 3.65 C ATOM 1184 CG1 VAL A 78 -13.222 -10.129 -9.074 1.00 4.31 C ATOM 1185 CG2 VAL A 78 -14.023 -8.388 -10.683 1.00 4.21 C ATOM 0 H VAL A 78 -10.932 -11.094 -9.981 1.00 2.65 H new ATOM 0 HA VAL A 78 -12.036 -9.547 -12.253 1.00 2.75 H new ATOM 0 HB VAL A 78 -13.890 -10.476 -11.066 1.00 3.65 H new ATOM 0 HG11 VAL A 78 -14.223 -10.150 -8.644 1.00 4.31 H new ATOM 0 HG12 VAL A 78 -12.773 -11.119 -8.996 1.00 4.31 H new ATOM 0 HG13 VAL A 78 -12.609 -9.409 -8.532 1.00 4.31 H new ATOM 0 HG21 VAL A 78 -15.008 -8.450 -10.220 1.00 4.21 H new ATOM 0 HG22 VAL A 78 -13.441 -7.607 -10.194 1.00 4.21 H new ATOM 0 HG23 VAL A 78 -14.134 -8.150 -11.741 1.00 4.21 H new ATOM 1195 N THR A 79 -11.116 -7.394 -11.327 1.00 1.82 N ATOM 1196 CA THR A 79 -10.281 -6.256 -10.985 1.00 1.90 C ATOM 1197 C THR A 79 -10.868 -5.430 -9.843 1.00 1.53 C ATOM 1198 O THR A 79 -11.334 -4.308 -10.052 1.00 1.82 O ATOM 1199 CB THR A 79 -10.064 -5.356 -12.215 1.00 2.70 C ATOM 1200 OG1 THR A 79 -11.318 -5.125 -12.871 1.00 3.20 O ATOM 1201 CG2 THR A 79 -9.087 -5.990 -13.191 1.00 3.41 C ATOM 0 H THR A 79 -11.723 -7.244 -12.133 1.00 1.82 H new ATOM 0 HA THR A 79 -9.324 -6.656 -10.650 1.00 1.90 H new ATOM 0 HB THR A 79 -9.644 -4.409 -11.876 1.00 2.70 H new ATOM 0 HG1 THR A 79 -11.952 -4.732 -12.236 1.00 3.20 H new ATOM 0 HG21 THR A 79 -8.953 -5.333 -14.050 1.00 3.41 H new ATOM 0 HG22 THR A 79 -8.127 -6.143 -12.697 1.00 3.41 H new ATOM 0 HG23 THR A 79 -9.479 -6.950 -13.527 1.00 3.41 H new ATOM 1209 N ASP A 80 -10.856 -5.998 -8.641 1.00 1.21 N ATOM 1210 CA ASP A 80 -11.216 -5.257 -7.438 1.00 1.14 C ATOM 1211 C ASP A 80 -9.978 -4.533 -6.915 1.00 0.88 C ATOM 1212 O ASP A 80 -8.905 -4.627 -7.512 1.00 1.12 O ATOM 1213 CB ASP A 80 -11.778 -6.191 -6.355 1.00 1.60 C ATOM 1214 CG ASP A 80 -13.114 -6.812 -6.733 1.00 2.14 C ATOM 1215 OD1 ASP A 80 -14.100 -6.069 -6.913 1.00 2.66 O ATOM 1216 OD2 ASP A 80 -13.189 -8.051 -6.844 1.00 2.60 O ATOM 0 H ASP A 80 -10.600 -6.971 -8.475 1.00 1.21 H new ATOM 0 HA ASP A 80 -11.994 -4.536 -7.688 1.00 1.14 H new ATOM 0 HB2 ASP A 80 -11.058 -6.985 -6.160 1.00 1.60 H new ATOM 0 HB3 ASP A 80 -11.894 -5.632 -5.427 1.00 1.60 H new ATOM 1221 N ILE A 81 -10.118 -3.809 -5.811 1.00 0.63 N ATOM 1222 CA ILE A 81 -8.998 -3.053 -5.254 1.00 0.42 C ATOM 1223 C ILE A 81 -8.929 -3.246 -3.739 1.00 0.38 C ATOM 1224 O ILE A 81 -9.964 -3.255 -3.072 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.123 -1.542 -5.564 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.393 -1.313 -7.055 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -7.856 -0.815 -5.145 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -9.625 0.140 -7.415 1.00 0.71 C ATOM 0 H ILE A 81 -10.988 -3.728 -5.285 1.00 0.63 H new ATOM 0 HA ILE A 81 -8.087 -3.431 -5.719 1.00 0.42 H new ATOM 0 HB ILE A 81 -9.965 -1.144 -4.997 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -8.548 -1.690 -7.631 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -10.266 -1.895 -7.351 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -7.955 0.247 -5.368 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -7.697 -0.948 -4.075 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.005 -1.222 -5.691 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -9.809 0.225 -8.486 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.489 0.517 -6.867 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -8.744 0.725 -7.151 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.722 -3.397 -3.190 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.578 -3.633 -1.757 1.00 0.28 C ATOM 1242 C VAL A 82 -6.801 -2.525 -1.071 1.00 0.23 C ATOM 1243 O VAL A 82 -5.700 -2.168 -1.481 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.905 -4.987 -1.448 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -6.458 -5.064 0.012 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -7.873 -6.110 -1.750 1.00 1.17 C ATOM 0 H VAL A 82 -6.844 -3.361 -3.708 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.594 -3.651 -1.363 1.00 0.28 H new ATOM 0 HB VAL A 82 -6.019 -5.083 -2.076 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.988 -6.030 0.198 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.743 -4.267 0.216 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -7.324 -4.950 0.664 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -7.399 -7.067 -1.532 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -8.764 -5.998 -1.133 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -8.154 -6.075 -2.803 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.403 -1.984 -0.030 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.739 -1.033 0.835 1.00 0.19 C ATOM 1258 C ILE A 83 -5.938 -1.751 1.898 1.00 0.19 C ATOM 1259 O ILE A 83 -6.417 -2.690 2.525 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.737 -0.067 1.506 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.209 0.926 0.463 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -7.111 0.649 2.702 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -8.928 2.130 1.029 1.00 0.37 C ATOM 0 H ILE A 83 -8.365 -2.192 0.238 1.00 0.22 H new ATOM 0 HA ILE A 83 -6.069 -0.445 0.207 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.584 -0.633 1.893 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.348 1.269 -0.111 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.874 0.415 -0.233 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.844 1.321 3.148 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.795 -0.087 3.442 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.247 1.224 2.370 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.231 2.789 0.215 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -9.810 1.802 1.578 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.261 2.669 1.702 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.722 -1.304 2.090 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.868 -1.876 3.093 1.00 0.23 C ATOM 1277 C LEU A 84 -3.464 -0.772 4.072 1.00 0.24 C ATOM 1278 O LEU A 84 -2.745 0.161 3.712 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.661 -2.552 2.413 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.573 -3.119 3.332 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.629 -2.014 3.748 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -2.175 -3.804 4.554 1.00 1.01 C ATOM 0 H LEU A 84 -4.302 -0.541 1.560 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.383 -2.651 3.661 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -3.034 -3.364 1.789 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.197 -1.825 1.746 1.00 0.39 H new ATOM 0 HG LEU A 84 -1.016 -3.875 2.778 1.00 0.31 H new ATOM 0 HD11 LEU A 84 0.143 -2.421 4.401 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.164 -1.581 2.863 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.185 -1.242 4.281 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.375 -4.194 5.183 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.765 -3.084 5.121 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.816 -4.624 4.232 1.00 1.01 H new ATOM 1294 N VAL A 85 -3.978 -0.855 5.286 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.714 0.137 6.310 1.00 0.27 C ATOM 1296 C VAL A 85 -2.469 -0.213 7.115 1.00 0.25 C ATOM 1297 O VAL A 85 -2.408 -1.257 7.765 1.00 0.29 O ATOM 1298 CB VAL A 85 -4.916 0.261 7.261 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -4.617 1.239 8.375 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.163 0.676 6.492 1.00 0.40 C ATOM 0 H VAL A 85 -4.590 -1.613 5.589 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.547 1.089 5.806 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.103 -0.714 7.711 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.480 1.312 9.036 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -3.754 0.891 8.942 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.401 2.219 7.950 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.004 0.759 7.180 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -5.991 1.639 6.012 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.388 -0.073 5.733 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.472 0.655 7.041 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.280 0.522 7.851 1.00 0.20 C ATOM 1312 C VAL A 86 0.001 1.798 8.631 1.00 0.17 C ATOM 1313 O VAL A 86 0.111 2.880 8.058 1.00 0.22 O ATOM 1314 CB VAL A 86 0.954 0.175 7.003 1.00 0.23 C ATOM 1315 CG1 VAL A 86 0.989 -1.310 6.703 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.975 0.981 5.709 1.00 0.64 C ATOM 0 H VAL A 86 -1.470 1.465 6.421 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.470 -0.296 8.546 1.00 0.20 H new ATOM 0 HB VAL A 86 1.843 0.437 7.577 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.869 -1.539 6.102 1.00 0.49 H new ATOM 0 HG12 VAL A 86 1.033 -1.869 7.638 1.00 0.49 H new ATOM 0 HG13 VAL A 86 0.091 -1.591 6.153 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.859 0.715 5.129 1.00 0.64 H new ATOM 0 HG22 VAL A 86 0.080 0.760 5.128 1.00 0.64 H new ATOM 0 HG23 VAL A 86 1.002 2.045 5.944 1.00 0.64 H new ATOM 1326 N ALA A 87 0.088 1.666 9.942 1.00 0.17 N ATOM 1327 CA ALA A 87 0.480 2.771 10.800 1.00 0.18 C ATOM 1328 C ALA A 87 1.894 3.214 10.464 1.00 0.16 C ATOM 1329 O ALA A 87 2.791 2.387 10.370 1.00 0.24 O ATOM 1330 CB ALA A 87 0.402 2.347 12.256 1.00 0.28 C ATOM 0 H ALA A 87 -0.109 0.798 10.440 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.201 3.606 10.636 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.697 3.180 12.894 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -0.620 2.052 12.495 1.00 0.28 H new ATOM 0 HB3 ALA A 87 1.072 1.505 12.426 1.00 0.28 H new ATOM 1336 N ALA A 88 2.103 4.514 10.298 1.00 0.12 N ATOM 1337 CA ALA A 88 3.411 5.015 9.889 1.00 0.14 C ATOM 1338 C ALA A 88 4.415 4.893 11.010 1.00 0.16 C ATOM 1339 O ALA A 88 5.625 4.927 10.789 1.00 0.22 O ATOM 1340 CB ALA A 88 3.326 6.463 9.453 1.00 0.17 C ATOM 0 H ALA A 88 1.394 5.234 10.438 1.00 0.12 H new ATOM 0 HA ALA A 88 3.740 4.406 9.047 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.314 6.811 9.153 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.640 6.550 8.610 1.00 0.17 H new ATOM 0 HB3 ALA A 88 2.962 7.072 10.281 1.00 0.17 H new ATOM 1346 N ASP A 89 3.907 4.771 12.210 1.00 0.16 N ATOM 1347 CA ASP A 89 4.772 4.676 13.380 1.00 0.21 C ATOM 1348 C ASP A 89 5.112 3.220 13.695 1.00 0.22 C ATOM 1349 O ASP A 89 6.030 2.940 14.468 1.00 0.37 O ATOM 1350 CB ASP A 89 4.109 5.326 14.589 1.00 0.30 C ATOM 1351 CG ASP A 89 3.033 4.448 15.190 1.00 0.39 C ATOM 1352 OD1 ASP A 89 2.091 4.082 14.464 1.00 0.47 O ATOM 1353 OD2 ASP A 89 3.124 4.124 16.393 1.00 0.58 O ATOM 0 H ASP A 89 2.908 4.734 12.412 1.00 0.16 H new ATOM 0 HA ASP A 89 5.697 5.206 13.154 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.865 5.540 15.344 1.00 0.30 H new ATOM 0 HB3 ASP A 89 3.674 6.281 14.293 1.00 0.30 H new ATOM 1358 N ASP A 90 4.380 2.295 13.085 1.00 0.19 N ATOM 1359 CA ASP A 90 4.536 0.874 13.390 1.00 0.23 C ATOM 1360 C ASP A 90 4.979 0.104 12.146 1.00 0.25 C ATOM 1361 O ASP A 90 5.957 -0.647 12.180 1.00 0.42 O ATOM 1362 CB ASP A 90 3.220 0.327 13.935 1.00 0.26 C ATOM 1363 CG ASP A 90 3.404 -0.875 14.836 1.00 0.36 C ATOM 1364 OD1 ASP A 90 3.995 -0.717 15.931 1.00 0.56 O ATOM 1365 OD2 ASP A 90 2.938 -1.971 14.475 1.00 0.46 O ATOM 0 H ASP A 90 3.674 2.501 12.378 1.00 0.19 H new ATOM 0 HA ASP A 90 5.310 0.749 14.148 1.00 0.23 H new ATOM 0 HB2 ASP A 90 2.708 1.114 14.489 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.574 0.053 13.101 1.00 0.26 H new ATOM 1370 N GLY A 91 4.264 0.311 11.047 1.00 0.20 N ATOM 1371 CA GLY A 91 4.664 -0.238 9.762 1.00 0.21 C ATOM 1372 C GLY A 91 4.066 -1.602 9.476 1.00 0.22 C ATOM 1373 O GLY A 91 3.088 -1.996 10.103 1.00 0.37 O ATOM 0 H GLY A 91 3.403 0.857 11.022 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.368 0.453 8.972 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.751 -0.312 9.730 1.00 0.21 H new ATOM 1377 N VAL A 92 4.642 -2.316 8.516 1.00 0.26 N ATOM 1378 CA VAL A 92 4.146 -3.641 8.152 1.00 0.26 C ATOM 1379 C VAL A 92 4.490 -4.641 9.253 1.00 0.24 C ATOM 1380 O VAL A 92 5.595 -4.647 9.803 1.00 0.28 O ATOM 1381 CB VAL A 92 4.709 -4.121 6.791 1.00 0.32 C ATOM 1382 CG1 VAL A 92 6.171 -4.525 6.905 1.00 0.96 C ATOM 1383 CG2 VAL A 92 3.871 -5.261 6.237 1.00 1.03 C ATOM 0 H VAL A 92 5.449 -2.003 7.977 1.00 0.26 H new ATOM 0 HA VAL A 92 3.063 -3.573 8.045 1.00 0.26 H new ATOM 0 HB VAL A 92 4.654 -3.285 6.094 1.00 0.32 H new ATOM 0 HG11 VAL A 92 6.534 -4.856 5.932 1.00 0.96 H new ATOM 0 HG12 VAL A 92 6.759 -3.671 7.240 1.00 0.96 H new ATOM 0 HG13 VAL A 92 6.269 -5.338 7.625 1.00 0.96 H new ATOM 0 HG21 VAL A 92 4.283 -5.584 5.281 1.00 1.03 H new ATOM 0 HG22 VAL A 92 3.883 -6.096 6.938 1.00 1.03 H new ATOM 0 HG23 VAL A 92 2.845 -4.922 6.094 1.00 1.03 H new ATOM 1393 N MET A 93 3.519 -5.468 9.574 1.00 0.22 N ATOM 1394 CA MET A 93 3.593 -6.366 10.712 1.00 0.22 C ATOM 1395 C MET A 93 3.000 -7.724 10.320 1.00 0.22 C ATOM 1396 O MET A 93 2.524 -7.869 9.192 1.00 0.23 O ATOM 1397 CB MET A 93 2.829 -5.731 11.876 1.00 0.21 C ATOM 1398 CG MET A 93 3.416 -4.406 12.332 1.00 0.23 C ATOM 1399 SD MET A 93 4.887 -4.627 13.344 1.00 0.28 S ATOM 1400 CE MET A 93 4.117 -5.222 14.843 1.00 0.27 C ATOM 0 H MET A 93 2.647 -5.539 9.049 1.00 0.22 H new ATOM 0 HA MET A 93 4.626 -6.529 11.020 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.792 -5.577 11.579 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.820 -6.425 12.717 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.665 -3.801 11.460 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.666 -3.854 12.899 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.751 -4.984 15.697 1.00 0.27 H new ATOM 0 HE2 MET A 93 3.146 -4.743 14.968 1.00 0.27 H new ATOM 0 HE3 MET A 93 3.983 -6.302 14.780 1.00 0.27 H new ATOM 1410 N PRO A 94 3.027 -8.733 11.220 1.00 0.25 N ATOM 1411 CA PRO A 94 2.538 -10.088 10.930 1.00 0.30 C ATOM 1412 C PRO A 94 1.248 -10.134 10.103 1.00 0.28 C ATOM 1413 O PRO A 94 1.260 -10.596 8.957 1.00 0.31 O ATOM 1414 CB PRO A 94 2.302 -10.666 12.320 1.00 0.37 C ATOM 1415 CG PRO A 94 3.332 -10.017 13.176 1.00 0.58 C ATOM 1416 CD PRO A 94 3.578 -8.647 12.592 1.00 0.30 C ATOM 0 HA PRO A 94 3.251 -10.639 10.317 1.00 0.30 H new ATOM 0 HB2 PRO A 94 1.295 -10.446 12.675 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.411 -11.751 12.322 1.00 0.37 H new ATOM 0 HG2 PRO A 94 2.987 -9.942 14.207 1.00 0.58 H new ATOM 0 HG3 PRO A 94 4.251 -10.603 13.189 1.00 0.58 H new ATOM 0 HD2 PRO A 94 3.080 -7.871 13.173 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.641 -8.404 12.580 1.00 0.30 H new ATOM 1424 N GLN A 95 0.140 -9.647 10.662 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.149 -9.771 9.997 1.00 0.32 C ATOM 1426 C GLN A 95 -1.278 -8.772 8.850 1.00 0.31 C ATOM 1427 O GLN A 95 -2.121 -8.932 7.969 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.310 -9.627 10.990 1.00 0.37 C ATOM 1429 CG GLN A 95 -2.861 -8.216 11.151 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.237 -8.211 11.802 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -4.289 -8.091 13.120 1.00 0.75 O flip ATOM 1432 NE2 GLN A 95 -5.256 -8.309 11.119 1.00 0.34 N flip ATOM 0 H GLN A 95 0.112 -9.169 11.563 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.202 -10.774 9.573 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.121 -10.281 10.672 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -1.978 -9.983 11.965 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.172 -7.625 11.755 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.921 -7.737 10.174 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -5.184 -8.400 10.106 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -6.173 -8.299 11.566 1.00 0.34 H new ATOM 1441 N THR A 96 -0.417 -7.764 8.846 1.00 0.26 N ATOM 1442 CA THR A 96 -0.397 -6.787 7.772 1.00 0.25 C ATOM 1443 C THR A 96 0.083 -7.453 6.500 1.00 0.25 C ATOM 1444 O THR A 96 -0.471 -7.252 5.422 1.00 0.31 O ATOM 1445 CB THR A 96 0.529 -5.617 8.090 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.787 -5.583 9.491 1.00 0.24 O ATOM 1447 CG2 THR A 96 -0.099 -4.308 7.653 1.00 0.28 C ATOM 0 H THR A 96 0.277 -7.603 9.576 1.00 0.26 H new ATOM 0 HA THR A 96 -1.410 -6.402 7.652 1.00 0.25 H new ATOM 0 HB THR A 96 1.465 -5.751 7.548 1.00 0.25 H new ATOM 0 HG1 THR A 96 1.190 -4.722 9.729 1.00 0.24 H new ATOM 0 HG21 THR A 96 0.576 -3.485 7.888 1.00 0.28 H new ATOM 0 HG22 THR A 96 -0.281 -4.333 6.579 1.00 0.28 H new ATOM 0 HG23 THR A 96 -1.043 -4.164 8.178 1.00 0.28 H new ATOM 1455 N VAL A 97 1.118 -8.267 6.649 1.00 0.25 N ATOM 1456 CA VAL A 97 1.661 -8.996 5.533 1.00 0.31 C ATOM 1457 C VAL A 97 0.675 -10.019 5.013 1.00 0.23 C ATOM 1458 O VAL A 97 0.546 -10.199 3.813 1.00 0.24 O ATOM 1459 CB VAL A 97 2.943 -9.743 5.887 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.520 -10.329 4.630 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.936 -8.834 6.559 1.00 1.38 C ATOM 0 H VAL A 97 1.593 -8.433 7.536 1.00 0.25 H new ATOM 0 HA VAL A 97 1.876 -8.243 4.775 1.00 0.31 H new ATOM 0 HB VAL A 97 2.712 -10.541 6.593 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.438 -10.867 4.867 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.801 -11.017 4.186 1.00 1.02 H new ATOM 0 HG13 VAL A 97 3.741 -9.529 3.923 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.839 -9.395 6.799 1.00 1.38 H new ATOM 0 HG22 VAL A 97 4.187 -8.011 5.890 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.502 -8.436 7.476 1.00 1.38 H new ATOM 1471 N GLU A 98 -0.002 -10.703 5.923 1.00 0.24 N ATOM 1472 CA GLU A 98 -0.993 -11.709 5.541 1.00 0.29 C ATOM 1473 C GLU A 98 -2.037 -11.102 4.610 1.00 0.31 C ATOM 1474 O GLU A 98 -2.600 -11.787 3.758 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.678 -12.283 6.783 1.00 0.39 C ATOM 1476 CG GLU A 98 -0.711 -12.895 7.779 1.00 0.92 C ATOM 1477 CD GLU A 98 0.112 -14.012 7.176 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -0.459 -15.080 6.881 1.00 1.97 O ATOM 1479 OE2 GLU A 98 1.336 -13.825 6.992 1.00 2.35 O ATOM 0 H GLU A 98 0.113 -10.584 6.929 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.478 -12.514 5.017 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -2.242 -11.491 7.276 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -2.397 -13.041 6.474 1.00 0.39 H new ATOM 0 HG2 GLU A 98 -0.044 -12.120 8.156 1.00 0.92 H new ATOM 0 HG3 GLU A 98 -1.269 -13.279 8.633 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.280 -9.807 4.773 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.184 -9.086 3.899 1.00 0.35 C ATOM 1488 C ALA A 99 -2.547 -8.869 2.531 1.00 0.34 C ATOM 1489 O ALA A 99 -3.208 -8.996 1.499 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.577 -7.761 4.529 1.00 0.39 C ATOM 0 H ALA A 99 -1.859 -9.237 5.507 1.00 0.31 H new ATOM 0 HA ALA A 99 -4.086 -9.682 3.760 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.256 -7.229 3.863 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -4.073 -7.944 5.482 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -2.684 -7.158 4.695 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.246 -8.595 2.523 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.528 -8.347 1.293 1.00 0.29 C ATOM 1498 C ILE A 100 -0.344 -9.657 0.555 1.00 0.29 C ATOM 1499 O ILE A 100 -0.557 -9.757 -0.649 1.00 0.34 O ATOM 1500 CB ILE A 100 0.852 -7.745 1.587 1.00 0.32 C ATOM 1501 CG1 ILE A 100 0.711 -6.385 2.275 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.644 -7.630 0.301 1.00 0.36 C ATOM 1503 CD1 ILE A 100 2.019 -5.842 2.811 1.00 0.41 C ATOM 0 H ILE A 100 -0.671 -8.541 3.364 1.00 0.28 H new ATOM 0 HA ILE A 100 -1.100 -7.644 0.687 1.00 0.29 H new ATOM 0 HB ILE A 100 1.392 -8.404 2.268 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.293 -5.670 1.567 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -0.000 -6.474 3.096 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.624 -7.202 0.514 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.768 -8.619 -0.139 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.111 -6.986 -0.398 1.00 0.36 H new ATOM 0 HD11 ILE A 100 1.845 -4.876 3.285 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.429 -6.537 3.543 1.00 0.41 H new ATOM 0 HD13 ILE A 100 2.726 -5.721 1.990 1.00 0.41 H new ATOM 1515 N ASN A 101 0.036 -10.662 1.318 1.00 0.29 N ATOM 1516 CA ASN A 101 0.260 -12.004 0.816 1.00 0.34 C ATOM 1517 C ASN A 101 -1.000 -12.566 0.179 1.00 0.36 C ATOM 1518 O ASN A 101 -0.933 -13.352 -0.763 1.00 0.43 O ATOM 1519 CB ASN A 101 0.732 -12.900 1.970 1.00 0.44 C ATOM 1520 CG ASN A 101 2.230 -12.889 2.143 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.979 -12.752 1.179 1.00 0.67 O ATOM 1522 ND2 ASN A 101 2.680 -13.017 3.376 1.00 0.64 N ATOM 0 H ASN A 101 0.201 -10.568 2.320 1.00 0.29 H new ATOM 0 HA ASN A 101 1.029 -11.972 0.044 1.00 0.34 H new ATOM 0 HB2 ASN A 101 0.261 -12.570 2.896 1.00 0.44 H new ATOM 0 HB3 ASN A 101 0.399 -13.922 1.790 1.00 0.44 H new ATOM 0 HD21 ASN A 101 3.684 -13.004 3.556 1.00 0.64 H new ATOM 0 HD22 ASN A 101 2.024 -13.129 4.149 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.149 -12.146 0.681 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.413 -12.565 0.114 1.00 0.43 C ATOM 1531 C HIS A 102 -3.735 -11.729 -1.119 1.00 0.37 C ATOM 1532 O HIS A 102 -4.312 -12.222 -2.092 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.522 -12.433 1.157 1.00 0.61 C ATOM 1534 CG HIS A 102 -5.726 -13.242 0.818 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -6.171 -14.296 1.585 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -6.564 -13.156 -0.230 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -7.237 -14.828 1.017 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -7.498 -14.152 -0.090 1.00 1.91 N ATOM 0 H HIS A 102 -2.229 -11.516 1.479 1.00 0.35 H new ATOM 0 HA HIS A 102 -3.341 -13.610 -0.186 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -4.141 -12.746 2.129 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.807 -11.385 1.248 1.00 0.61 H new ATOM 0 HD2 HIS A 102 -6.512 -12.436 -1.033 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -7.800 -15.670 1.392 1.00 2.50 H new ATOM 0 HE2 HIS A 102 -8.267 -14.340 -0.733 1.00 1.91 H new ATOM 1547 N ALA A 103 -3.345 -10.465 -1.078 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.605 -9.554 -2.177 1.00 0.41 C ATOM 1549 C ALA A 103 -2.730 -9.874 -3.388 1.00 0.40 C ATOM 1550 O ALA A 103 -3.222 -9.942 -4.511 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.389 -8.114 -1.733 1.00 0.47 C ATOM 0 H ALA A 103 -2.846 -10.047 -0.292 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.646 -9.681 -2.476 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.588 -7.442 -2.568 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -4.066 -7.881 -0.911 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -2.358 -7.986 -1.402 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.434 -10.094 -3.168 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.524 -10.360 -4.274 1.00 0.49 C ATOM 1559 C LYS A 104 -0.794 -11.740 -4.832 1.00 0.54 C ATOM 1560 O LYS A 104 -0.570 -12.006 -6.011 1.00 0.66 O ATOM 1561 CB LYS A 104 0.927 -10.261 -3.820 1.00 0.61 C ATOM 1562 CG LYS A 104 1.210 -9.037 -2.972 1.00 0.70 C ATOM 1563 CD LYS A 104 0.780 -7.745 -3.660 1.00 0.84 C ATOM 1564 CE LYS A 104 1.483 -7.537 -4.997 1.00 0.99 C ATOM 1565 NZ LYS A 104 2.948 -7.331 -4.845 1.00 1.66 N ATOM 0 H LYS A 104 -0.998 -10.093 -2.246 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.692 -9.612 -5.049 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.184 -11.155 -3.252 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.574 -10.244 -4.697 1.00 0.61 H new ATOM 0 HG2 LYS A 104 0.689 -9.129 -2.019 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.276 -8.990 -2.749 1.00 0.70 H new ATOM 0 HD2 LYS A 104 -0.298 -7.762 -3.818 1.00 0.84 H new ATOM 0 HD3 LYS A 104 0.993 -6.900 -3.005 1.00 0.84 H new ATOM 0 HE2 LYS A 104 1.306 -8.402 -5.635 1.00 0.99 H new ATOM 0 HE3 LYS A 104 1.049 -6.674 -5.502 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 3.187 -6.349 -5.088 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 3.225 -7.522 -3.861 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 3.457 -7.979 -5.480 1.00 1.66 H new ATOM 1579 N ALA A 105 -1.265 -12.612 -3.957 1.00 0.51 N ATOM 1580 CA ALA A 105 -1.704 -13.948 -4.359 1.00 0.61 C ATOM 1581 C ALA A 105 -2.756 -13.878 -5.464 1.00 0.62 C ATOM 1582 O ALA A 105 -2.717 -14.648 -6.422 1.00 0.77 O ATOM 1583 CB ALA A 105 -2.248 -14.720 -3.169 1.00 0.65 C ATOM 0 H ALA A 105 -1.355 -12.423 -2.959 1.00 0.51 H new ATOM 0 HA ALA A 105 -0.833 -14.474 -4.749 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -2.568 -15.710 -3.493 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -1.469 -14.820 -2.413 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -3.098 -14.185 -2.746 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.696 -12.948 -5.322 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.724 -12.742 -6.337 1.00 0.64 C ATOM 1591 C ALA A 106 -4.199 -11.850 -7.462 1.00 0.64 C ATOM 1592 O ALA A 106 -4.634 -11.952 -8.609 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.978 -12.138 -5.721 1.00 0.68 C ATOM 0 H ALA A 106 -3.767 -12.327 -4.516 1.00 0.54 H new ATOM 0 HA ALA A 106 -4.983 -13.713 -6.759 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.731 -11.993 -6.496 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -6.368 -12.811 -4.957 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.734 -11.177 -5.268 1.00 0.68 H new ATOM 1599 N ASN A 107 -3.279 -10.955 -7.080 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.514 -10.115 -8.006 1.00 0.65 C ATOM 1601 C ASN A 107 -3.312 -8.873 -8.329 1.00 0.60 C ATOM 1602 O ASN A 107 -3.553 -8.532 -9.488 1.00 0.85 O ATOM 1603 CB ASN A 107 -2.103 -10.861 -9.270 1.00 0.85 C ATOM 1604 CG ASN A 107 -0.813 -10.345 -9.861 1.00 1.04 C ATOM 1605 OD1 ASN A 107 -0.435 -9.188 -9.671 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -0.127 -11.204 -10.584 1.00 1.41 N ATOM 0 H ASN A 107 -3.042 -10.793 -6.101 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.584 -9.828 -7.516 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -1.994 -11.921 -9.041 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -2.897 -10.775 -10.012 1.00 0.85 H new ATOM 0 HD21 ASN A 107 0.754 -10.921 -11.012 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -0.477 -12.153 -10.716 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.723 -8.212 -7.265 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.555 -7.038 -7.338 1.00 0.42 C ATOM 1615 C VAL A 108 -3.768 -5.794 -6.926 1.00 0.37 C ATOM 1616 O VAL A 108 -2.930 -5.859 -6.023 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.776 -7.207 -6.406 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -5.369 -7.845 -5.089 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.418 -5.873 -6.136 1.00 1.35 C ATOM 0 H VAL A 108 -3.482 -8.484 -6.312 1.00 0.44 H new ATOM 0 HA VAL A 108 -4.892 -6.915 -8.367 1.00 0.42 H new ATOM 0 HB VAL A 108 -6.491 -7.859 -6.908 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -6.246 -7.953 -4.451 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -4.935 -8.827 -5.279 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -4.633 -7.214 -4.591 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.276 -6.009 -5.478 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -5.695 -5.212 -5.658 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.748 -5.431 -7.076 1.00 1.35 H new ATOM 1629 N PRO A 109 -4.005 -4.657 -7.603 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.429 -3.372 -7.209 1.00 0.33 C ATOM 1631 C PRO A 109 -3.934 -2.913 -5.845 1.00 0.28 C ATOM 1632 O PRO A 109 -5.105 -3.108 -5.499 1.00 0.29 O ATOM 1633 CB PRO A 109 -3.884 -2.403 -8.306 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.321 -3.269 -9.439 1.00 0.47 C ATOM 1635 CD PRO A 109 -4.828 -4.535 -8.816 1.00 0.40 C ATOM 0 HA PRO A 109 -2.345 -3.430 -7.113 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -4.700 -1.769 -7.958 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -3.072 -1.741 -8.607 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -5.101 -2.782 -10.025 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -3.493 -3.472 -10.118 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -5.890 -4.471 -8.579 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -4.700 -5.391 -9.479 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.059 -2.287 -5.078 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.377 -1.955 -3.705 1.00 0.21 C ATOM 1645 C ILE A 110 -3.639 -0.458 -3.551 1.00 0.19 C ATOM 1646 O ILE A 110 -3.236 0.356 -4.386 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.219 -2.401 -2.765 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -2.043 -3.926 -2.803 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.423 -1.933 -1.331 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -3.194 -4.692 -2.185 1.00 0.60 C ATOM 0 H ILE A 110 -2.129 -2.001 -5.382 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.286 -2.488 -3.425 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.311 -1.926 -3.138 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -1.924 -4.242 -3.839 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -1.123 -4.189 -2.281 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.588 -2.270 -0.716 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.475 -0.844 -1.307 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.352 -2.349 -0.941 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.996 -5.762 -2.250 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -3.301 -4.406 -1.139 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -4.115 -4.460 -2.721 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.344 -0.128 -2.493 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.550 1.237 -2.052 1.00 0.18 C ATOM 1664 C ILE A 111 -4.097 1.320 -0.611 1.00 0.16 C ATOM 1665 O ILE A 111 -4.883 1.147 0.316 1.00 0.18 O ATOM 1666 CB ILE A 111 -6.023 1.699 -2.143 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.489 1.725 -3.589 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.190 3.085 -1.524 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.719 2.702 -4.437 1.00 0.37 C ATOM 0 H ILE A 111 -4.803 -0.818 -1.898 1.00 0.18 H new ATOM 0 HA ILE A 111 -3.980 1.893 -2.710 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.634 0.987 -1.588 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -6.391 0.726 -4.015 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.548 1.982 -3.619 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.233 3.393 -1.597 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -5.894 3.053 -0.475 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.562 3.799 -2.057 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -6.098 2.675 -5.459 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -5.838 3.707 -4.033 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.663 2.433 -4.434 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.814 1.513 -0.423 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.284 1.606 0.905 1.00 0.18 C ATOM 1683 C VAL A 112 -2.733 2.890 1.542 1.00 0.20 C ATOM 1684 O VAL A 112 -2.914 3.908 0.881 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.759 1.544 0.927 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.241 1.645 2.333 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.276 0.261 0.309 1.00 0.19 C ATOM 0 H VAL A 112 -2.126 1.607 -1.170 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.662 0.749 1.463 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.382 2.388 0.349 1.00 0.19 H new ATOM 0 HG11 VAL A 112 0.848 1.599 2.324 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.560 2.591 2.771 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.634 0.819 2.926 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.813 0.233 0.333 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.673 -0.585 0.870 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.618 0.204 -0.724 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.903 2.819 2.823 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.356 3.945 3.585 1.00 0.24 C ATOM 1699 C ALA A 113 -2.700 3.937 4.943 1.00 0.25 C ATOM 1700 O ALA A 113 -3.075 3.184 5.838 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.867 3.947 3.676 1.00 0.29 C ATOM 0 H ALA A 113 -2.732 1.978 3.374 1.00 0.21 H new ATOM 0 HA ALA A 113 -3.067 4.869 3.083 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -5.195 4.808 4.258 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.292 4.003 2.674 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -5.203 3.031 4.162 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.681 4.762 5.054 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.933 4.913 6.271 1.00 0.27 C ATOM 1709 C ILE A 114 -1.794 5.622 7.297 1.00 0.30 C ATOM 1710 O ILE A 114 -2.507 6.546 6.954 1.00 0.50 O ATOM 1711 CB ILE A 114 0.359 5.725 6.017 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.365 4.916 5.197 1.00 0.38 C ATOM 1713 CG2 ILE A 114 0.985 6.168 7.316 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.136 4.968 3.701 1.00 0.59 C ATOM 0 H ILE A 114 -1.350 5.351 4.290 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.651 3.928 6.642 1.00 0.27 H new ATOM 0 HB ILE A 114 0.082 6.612 5.447 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.369 5.282 5.412 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.328 3.876 5.522 1.00 0.38 H new ATOM 0 HG21 ILE A 114 1.891 6.737 7.108 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.281 6.795 7.864 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.235 5.293 7.916 1.00 0.44 H new ATOM 0 HD11 ILE A 114 1.893 4.368 3.196 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.147 4.573 3.470 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.203 6.001 3.358 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.742 5.189 8.541 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.515 5.831 9.595 1.00 0.22 C ATOM 1728 C ASN A 115 -1.535 6.321 10.614 1.00 0.20 C ATOM 1729 O ASN A 115 -0.334 6.045 10.498 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.564 4.864 10.193 1.00 0.33 C ATOM 1731 CG ASN A 115 -3.150 4.172 11.487 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -1.998 3.853 11.697 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -4.107 3.930 12.366 1.00 0.56 N ATOM 0 H ASN A 115 -1.176 4.399 8.850 1.00 0.19 H new ATOM 0 HA ASN A 115 -3.092 6.670 9.205 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -4.484 5.420 10.376 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -3.795 4.101 9.450 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -3.885 3.465 13.246 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -5.067 4.209 12.164 1.00 0.56 H new ATOM 1740 N LYS A 116 -2.019 7.075 11.571 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.174 7.567 12.618 1.00 0.20 C ATOM 1742 C LYS A 116 -0.145 8.565 12.097 1.00 0.21 C ATOM 1743 O LYS A 116 0.954 8.681 12.636 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.512 6.381 13.316 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.447 5.669 14.277 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.729 4.583 15.060 1.00 0.40 C ATOM 1747 CE LYS A 116 -1.685 3.739 15.888 1.00 0.51 C ATOM 1748 NZ LYS A 116 -0.976 2.624 16.572 1.00 0.59 N ATOM 0 H LYS A 116 -2.996 7.359 11.642 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.782 8.113 13.340 1.00 0.20 H new ATOM 0 HB2 LYS A 116 -0.161 5.673 12.565 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.366 6.729 13.861 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -1.877 6.393 14.969 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -2.275 5.229 13.721 1.00 0.32 H new ATOM 0 HD2 LYS A 116 -0.185 3.939 14.369 1.00 0.40 H new ATOM 0 HD3 LYS A 116 0.010 5.041 15.717 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -2.178 4.368 16.630 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -2.466 3.334 15.244 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -1.624 1.819 16.687 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 -0.158 2.331 16.001 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -0.650 2.942 17.507 1.00 0.59 H new ATOM 1762 N MET A 117 -0.515 9.291 11.049 1.00 0.21 N ATOM 1763 CA MET A 117 0.305 10.384 10.552 1.00 0.28 C ATOM 1764 C MET A 117 0.013 11.636 11.357 1.00 0.29 C ATOM 1765 O MET A 117 0.660 12.674 11.197 1.00 0.37 O ATOM 1766 CB MET A 117 0.035 10.613 9.072 1.00 0.38 C ATOM 1767 CG MET A 117 0.541 9.485 8.192 1.00 0.48 C ATOM 1768 SD MET A 117 2.325 9.505 7.989 1.00 0.77 S ATOM 1769 CE MET A 117 2.497 10.969 6.984 1.00 0.92 C ATOM 0 H MET A 117 -1.379 9.141 10.528 1.00 0.21 H new ATOM 0 HA MET A 117 1.359 10.131 10.665 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.038 10.732 8.919 1.00 0.38 H new ATOM 0 HB3 MET A 117 0.506 11.546 8.763 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.240 8.531 8.624 1.00 0.48 H new ATOM 0 HG3 MET A 117 0.068 9.555 7.212 1.00 0.48 H new ATOM 0 HE1 MET A 117 2.864 10.691 5.996 1.00 0.92 H new ATOM 0 HE2 MET A 117 1.528 11.459 6.887 1.00 0.92 H new ATOM 0 HE3 MET A 117 3.204 11.652 7.455 1.00 0.92 H new ATOM 1779 N ASP A 118 -0.987 11.519 12.221 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.265 12.538 13.229 1.00 0.34 C ATOM 1781 C ASP A 118 -0.128 12.564 14.224 1.00 0.33 C ATOM 1782 O ASP A 118 0.152 13.579 14.861 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.560 12.227 13.976 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.499 10.900 14.706 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -2.603 9.854 14.033 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.356 10.895 15.945 1.00 0.76 O ATOM 0 H ASP A 118 -1.624 10.723 12.245 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.368 13.502 12.731 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.764 13.024 14.691 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.390 12.213 13.269 1.00 0.39 H new ATOM 1791 N LYS A 119 0.497 11.411 14.361 1.00 0.23 N ATOM 1792 CA LYS A 119 1.638 11.240 15.242 1.00 0.26 C ATOM 1793 C LYS A 119 2.878 11.869 14.631 1.00 0.28 C ATOM 1794 O LYS A 119 3.163 11.666 13.454 1.00 0.26 O ATOM 1795 CB LYS A 119 1.890 9.747 15.491 1.00 0.29 C ATOM 1796 CG LYS A 119 0.757 9.036 16.209 1.00 0.36 C ATOM 1797 CD LYS A 119 1.067 7.558 16.414 1.00 0.72 C ATOM 1798 CE LYS A 119 2.318 7.352 17.257 1.00 0.87 C ATOM 1799 NZ LYS A 119 2.099 7.693 18.687 1.00 1.17 N ATOM 0 H LYS A 119 0.227 10.563 13.863 1.00 0.23 H new ATOM 0 HA LYS A 119 1.420 11.733 16.189 1.00 0.26 H new ATOM 0 HB2 LYS A 119 2.064 9.255 14.534 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.802 9.637 16.077 1.00 0.29 H new ATOM 0 HG2 LYS A 119 0.583 9.510 17.175 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.162 9.140 15.633 1.00 0.36 H new ATOM 0 HD2 LYS A 119 0.219 7.073 16.898 1.00 0.72 H new ATOM 0 HD3 LYS A 119 1.199 7.077 15.445 1.00 0.72 H new ATOM 0 HE2 LYS A 119 2.639 6.313 17.179 1.00 0.87 H new ATOM 0 HE3 LYS A 119 3.126 7.966 16.859 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 2.936 8.186 19.058 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 1.267 8.311 18.773 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 1.941 6.821 19.232 1.00 1.17 H new ATOM 1813 N PRO A 120 3.634 12.650 15.417 1.00 0.38 N ATOM 1814 CA PRO A 120 4.928 13.191 14.980 1.00 0.45 C ATOM 1815 C PRO A 120 5.940 12.069 14.752 1.00 0.40 C ATOM 1816 O PRO A 120 6.971 12.252 14.106 1.00 0.45 O ATOM 1817 CB PRO A 120 5.366 14.083 16.146 1.00 0.57 C ATOM 1818 CG PRO A 120 4.581 13.609 17.323 1.00 0.58 C ATOM 1819 CD PRO A 120 3.280 13.088 16.779 1.00 0.48 C ATOM 0 HA PRO A 120 4.858 13.731 14.036 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.437 13.995 16.327 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.163 15.133 15.935 1.00 0.57 H new ATOM 0 HG2 PRO A 120 5.119 12.828 17.860 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.410 14.421 18.029 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.894 12.264 17.379 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.511 13.860 16.766 1.00 0.48 H new ATOM 1827 N GLU A 121 5.607 10.904 15.289 1.00 0.35 N ATOM 1828 CA GLU A 121 6.421 9.704 15.153 1.00 0.37 C ATOM 1829 C GLU A 121 6.173 9.037 13.806 1.00 0.30 C ATOM 1830 O GLU A 121 6.765 8.008 13.490 1.00 0.37 O ATOM 1831 CB GLU A 121 6.066 8.739 16.273 1.00 0.48 C ATOM 1832 CG GLU A 121 6.154 9.371 17.644 1.00 0.62 C ATOM 1833 CD GLU A 121 5.545 8.506 18.726 1.00 1.04 C ATOM 1834 OE1 GLU A 121 6.092 7.414 18.988 1.00 1.40 O ATOM 1835 OE2 GLU A 121 4.539 8.919 19.334 1.00 1.45 O ATOM 0 H GLU A 121 4.757 10.764 15.836 1.00 0.35 H new ATOM 0 HA GLU A 121 7.474 9.978 15.213 1.00 0.37 H new ATOM 0 HB2 GLU A 121 5.055 8.364 16.116 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.735 7.880 16.231 1.00 0.48 H new ATOM 0 HG2 GLU A 121 7.200 9.564 17.884 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.647 10.336 17.628 1.00 0.62 H new ATOM 1842 N ALA A 122 5.267 9.629 13.042 1.00 0.24 N ATOM 1843 CA ALA A 122 4.901 9.126 11.724 1.00 0.22 C ATOM 1844 C ALA A 122 6.114 8.973 10.824 1.00 0.21 C ATOM 1845 O ALA A 122 6.865 9.927 10.599 1.00 0.26 O ATOM 1846 CB ALA A 122 3.887 10.047 11.065 1.00 0.27 C ATOM 0 H ALA A 122 4.764 10.472 13.318 1.00 0.24 H new ATOM 0 HA ALA A 122 4.457 8.141 11.865 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.625 9.656 10.082 1.00 0.27 H new ATOM 0 HB2 ALA A 122 2.991 10.104 11.683 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.317 11.043 10.957 1.00 0.27 H new ATOM 1852 N ASN A 123 6.297 7.771 10.309 1.00 0.21 N ATOM 1853 CA ASN A 123 7.325 7.520 9.320 1.00 0.23 C ATOM 1854 C ASN A 123 6.702 6.804 8.142 1.00 0.23 C ATOM 1855 O ASN A 123 6.887 5.602 7.948 1.00 0.25 O ATOM 1856 CB ASN A 123 8.453 6.678 9.900 1.00 0.26 C ATOM 1857 CG ASN A 123 9.785 7.323 9.728 1.00 0.42 C ATOM 1858 OD1 ASN A 123 10.437 6.999 8.651 1.00 0.95 O flip ATOM 1859 ND2 ASN A 123 10.226 8.109 10.564 1.00 0.52 N flip ATOM 0 H ASN A 123 5.744 6.952 10.561 1.00 0.21 H new ATOM 0 HA ASN A 123 7.750 8.472 9.002 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.268 6.508 10.961 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.460 5.701 9.417 1.00 0.26 H new ATOM 0 HD21 ASN A 123 9.677 8.332 11.394 1.00 0.52 H new ATOM 0 HD22 ASN A 123 11.141 8.538 10.428 1.00 0.52 H new ATOM 1866 N PRO A 124 5.969 7.556 7.326 1.00 0.25 N ATOM 1867 CA PRO A 124 5.180 7.005 6.228 1.00 0.32 C ATOM 1868 C PRO A 124 6.028 6.333 5.183 1.00 0.33 C ATOM 1869 O PRO A 124 5.894 5.146 4.946 1.00 0.35 O ATOM 1870 CB PRO A 124 4.495 8.225 5.644 1.00 0.40 C ATOM 1871 CG PRO A 124 5.344 9.377 6.049 1.00 0.32 C ATOM 1872 CD PRO A 124 5.848 9.021 7.408 1.00 0.27 C ATOM 0 HA PRO A 124 4.494 6.232 6.573 1.00 0.32 H new ATOM 0 HB2 PRO A 124 4.420 8.153 4.559 1.00 0.40 H new ATOM 0 HB3 PRO A 124 3.480 8.329 6.028 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.166 9.528 5.349 1.00 0.32 H new ATOM 0 HG3 PRO A 124 4.770 10.303 6.070 1.00 0.32 H new ATOM 0 HD2 PRO A 124 6.805 9.496 7.624 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.155 9.328 8.192 1.00 0.27 H new ATOM 1880 N ASP A 125 6.915 7.105 4.588 1.00 0.37 N ATOM 1881 CA ASP A 125 7.811 6.612 3.546 1.00 0.44 C ATOM 1882 C ASP A 125 8.625 5.419 4.025 1.00 0.34 C ATOM 1883 O ASP A 125 9.148 4.657 3.220 1.00 0.33 O ATOM 1884 CB ASP A 125 8.751 7.721 3.100 1.00 0.61 C ATOM 1885 CG ASP A 125 8.024 8.833 2.370 1.00 0.99 C ATOM 1886 OD1 ASP A 125 7.268 9.585 3.019 1.00 1.44 O ATOM 1887 OD2 ASP A 125 8.203 8.960 1.137 1.00 1.13 O ATOM 0 H ASP A 125 7.040 8.093 4.809 1.00 0.37 H new ATOM 0 HA ASP A 125 7.195 6.289 2.707 1.00 0.44 H new ATOM 0 HB2 ASP A 125 9.261 8.134 3.970 1.00 0.61 H new ATOM 0 HB3 ASP A 125 9.519 7.303 2.449 1.00 0.61 H new ATOM 1892 N ARG A 126 8.707 5.237 5.333 1.00 0.31 N ATOM 1893 CA ARG A 126 9.444 4.103 5.879 1.00 0.31 C ATOM 1894 C ARG A 126 8.592 2.857 5.771 1.00 0.27 C ATOM 1895 O ARG A 126 8.979 1.874 5.144 1.00 0.30 O ATOM 1896 CB ARG A 126 9.835 4.354 7.336 1.00 0.35 C ATOM 1897 CG ARG A 126 10.443 3.151 8.049 1.00 0.51 C ATOM 1898 CD ARG A 126 11.706 2.655 7.358 1.00 1.24 C ATOM 1899 NE ARG A 126 11.507 1.361 6.697 1.00 1.92 N ATOM 1900 CZ ARG A 126 12.253 0.923 5.681 1.00 2.94 C ATOM 1901 NH1 ARG A 126 13.163 1.715 5.128 1.00 3.49 N ATOM 1902 NH2 ARG A 126 12.066 -0.299 5.192 1.00 3.79 N ATOM 0 H ARG A 126 8.280 5.848 6.029 1.00 0.31 H new ATOM 0 HA ARG A 126 10.362 3.969 5.306 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.548 5.178 7.370 1.00 0.35 H new ATOM 0 HB3 ARG A 126 8.950 4.676 7.885 1.00 0.35 H new ATOM 0 HG2 ARG A 126 10.676 3.420 9.079 1.00 0.51 H new ATOM 0 HG3 ARG A 126 9.711 2.345 8.088 1.00 0.51 H new ATOM 0 HD2 ARG A 126 12.027 3.391 6.621 1.00 1.24 H new ATOM 0 HD3 ARG A 126 12.508 2.567 8.091 1.00 1.24 H new ATOM 0 HE ARG A 126 10.754 0.761 7.034 1.00 1.92 H new ATOM 0 HH11 ARG A 126 13.295 2.663 5.479 1.00 3.49 H new ATOM 0 HH12 ARG A 126 13.731 1.375 4.352 1.00 3.49 H new ATOM 0 HH21 ARG A 126 11.350 -0.905 5.593 1.00 3.79 H new ATOM 0 HH22 ARG A 126 12.638 -0.631 4.415 1.00 3.79 H new ATOM 1916 N VAL A 127 7.413 2.936 6.360 1.00 0.25 N ATOM 1917 CA VAL A 127 6.460 1.826 6.344 1.00 0.28 C ATOM 1918 C VAL A 127 5.961 1.579 4.917 1.00 0.28 C ATOM 1919 O VAL A 127 5.546 0.481 4.546 1.00 0.33 O ATOM 1920 CB VAL A 127 5.296 2.110 7.325 1.00 0.36 C ATOM 1921 CG1 VAL A 127 5.883 2.535 8.651 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.321 3.177 6.827 1.00 0.44 C ATOM 0 H VAL A 127 7.085 3.762 6.861 1.00 0.25 H new ATOM 0 HA VAL A 127 6.957 0.915 6.679 1.00 0.28 H new ATOM 0 HB VAL A 127 4.716 1.192 7.419 1.00 0.36 H new ATOM 0 HG11 VAL A 127 5.078 2.740 9.356 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.514 1.737 9.042 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.481 3.435 8.512 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.533 3.323 7.566 1.00 0.44 H new ATOM 0 HG22 VAL A 127 4.855 4.115 6.676 1.00 0.44 H new ATOM 0 HG23 VAL A 127 3.880 2.855 5.884 1.00 0.44 H new ATOM 1932 N MET A 128 6.072 2.627 4.127 1.00 0.27 N ATOM 1933 CA MET A 128 5.768 2.623 2.707 1.00 0.31 C ATOM 1934 C MET A 128 6.785 1.772 1.943 1.00 0.26 C ATOM 1935 O MET A 128 6.428 0.962 1.082 1.00 0.35 O ATOM 1936 CB MET A 128 5.814 4.089 2.267 1.00 0.52 C ATOM 1937 CG MET A 128 5.457 4.390 0.834 1.00 0.81 C ATOM 1938 SD MET A 128 5.462 6.178 0.545 1.00 0.67 S ATOM 1939 CE MET A 128 4.210 6.381 -0.721 1.00 0.46 C ATOM 0 H MET A 128 6.387 3.536 4.465 1.00 0.27 H new ATOM 0 HA MET A 128 4.791 2.186 2.500 1.00 0.31 H new ATOM 0 HB2 MET A 128 5.140 4.656 2.909 1.00 0.52 H new ATOM 0 HB3 MET A 128 6.820 4.465 2.451 1.00 0.52 H new ATOM 0 HG2 MET A 128 6.169 3.905 0.166 1.00 0.81 H new ATOM 0 HG3 MET A 128 4.473 3.981 0.604 1.00 0.81 H new ATOM 0 HE1 MET A 128 4.666 6.793 -1.621 1.00 0.46 H new ATOM 0 HE2 MET A 128 3.764 5.413 -0.950 1.00 0.46 H new ATOM 0 HE3 MET A 128 3.437 7.061 -0.363 1.00 0.46 H new ATOM 1949 N GLN A 129 8.051 1.942 2.287 1.00 0.24 N ATOM 1950 CA GLN A 129 9.130 1.178 1.651 1.00 0.27 C ATOM 1951 C GLN A 129 9.079 -0.300 2.034 1.00 0.30 C ATOM 1952 O GLN A 129 9.455 -1.167 1.239 1.00 0.33 O ATOM 1953 CB GLN A 129 10.500 1.760 2.001 1.00 0.32 C ATOM 1954 CG GLN A 129 10.822 3.046 1.259 1.00 0.42 C ATOM 1955 CD GLN A 129 12.177 3.619 1.628 1.00 0.54 C ATOM 1956 OE1 GLN A 129 13.128 2.752 1.938 1.00 1.17 O flip ATOM 1957 NE2 GLN A 129 12.372 4.834 1.616 1.00 1.31 N flip ATOM 0 H GLN A 129 8.364 2.599 3.001 1.00 0.24 H new ATOM 0 HA GLN A 129 8.980 1.256 0.574 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.542 1.949 3.074 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.268 1.019 1.778 1.00 0.32 H new ATOM 0 HG2 GLN A 129 10.794 2.857 0.186 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.050 3.786 1.473 1.00 0.42 H new ATOM 0 HE21 GLN A 129 11.613 5.470 1.372 1.00 1.31 H new ATOM 0 HE22 GLN A 129 13.293 5.205 1.850 1.00 1.31 H new ATOM 1966 N GLU A 130 8.616 -0.587 3.246 1.00 0.37 N ATOM 1967 CA GLU A 130 8.467 -1.970 3.690 1.00 0.43 C ATOM 1968 C GLU A 130 7.478 -2.679 2.786 1.00 0.36 C ATOM 1969 O GLU A 130 7.644 -3.842 2.427 1.00 0.35 O ATOM 1970 CB GLU A 130 7.969 -2.034 5.130 1.00 0.61 C ATOM 1971 CG GLU A 130 8.581 -0.984 6.025 1.00 0.63 C ATOM 1972 CD GLU A 130 8.223 -1.169 7.486 1.00 1.04 C ATOM 1973 OE1 GLU A 130 7.036 -0.997 7.832 1.00 1.63 O ATOM 1974 OE2 GLU A 130 9.118 -1.483 8.290 1.00 1.64 O ATOM 0 H GLU A 130 8.339 0.113 3.934 1.00 0.37 H new ATOM 0 HA GLU A 130 9.441 -2.456 3.641 1.00 0.43 H new ATOM 0 HB2 GLU A 130 6.885 -1.919 5.137 1.00 0.61 H new ATOM 0 HB3 GLU A 130 8.188 -3.021 5.538 1.00 0.61 H new ATOM 0 HG2 GLU A 130 9.665 -1.009 5.916 1.00 0.63 H new ATOM 0 HG3 GLU A 130 8.251 0.002 5.698 1.00 0.63 H new ATOM 1981 N LEU A 131 6.452 -1.953 2.387 1.00 0.36 N ATOM 1982 CA LEU A 131 5.471 -2.505 1.486 1.00 0.37 C ATOM 1983 C LEU A 131 6.127 -2.862 0.167 1.00 0.29 C ATOM 1984 O LEU A 131 5.782 -3.866 -0.446 1.00 0.32 O ATOM 1985 CB LEU A 131 4.323 -1.529 1.269 1.00 0.49 C ATOM 1986 CG LEU A 131 3.127 -1.698 2.211 1.00 0.71 C ATOM 1987 CD1 LEU A 131 3.560 -1.912 3.643 1.00 1.36 C ATOM 1988 CD2 LEU A 131 2.253 -0.478 2.154 1.00 1.18 C ATOM 0 H LEU A 131 6.280 -0.989 2.672 1.00 0.36 H new ATOM 0 HA LEU A 131 5.059 -3.410 1.931 1.00 0.37 H new ATOM 0 HB2 LEU A 131 4.707 -0.514 1.376 1.00 0.49 H new ATOM 0 HB3 LEU A 131 3.972 -1.631 0.242 1.00 0.49 H new ATOM 0 HG LEU A 131 2.579 -2.580 1.878 1.00 0.71 H new ATOM 0 HD11 LEU A 131 2.680 -2.027 4.276 1.00 1.36 H new ATOM 0 HD12 LEU A 131 4.173 -2.811 3.707 1.00 1.36 H new ATOM 0 HD13 LEU A 131 4.140 -1.053 3.980 1.00 1.36 H new ATOM 0 HD21 LEU A 131 1.405 -0.606 2.827 1.00 1.18 H new ATOM 0 HD22 LEU A 131 2.828 0.396 2.458 1.00 1.18 H new ATOM 0 HD23 LEU A 131 1.890 -0.337 1.136 1.00 1.18 H new ATOM 2000 N MET A 132 7.099 -2.059 -0.263 1.00 0.25 N ATOM 2001 CA MET A 132 7.775 -2.342 -1.518 1.00 0.26 C ATOM 2002 C MET A 132 8.657 -3.575 -1.420 1.00 0.30 C ATOM 2003 O MET A 132 9.033 -4.147 -2.441 1.00 0.37 O ATOM 2004 CB MET A 132 8.625 -1.182 -2.005 1.00 0.32 C ATOM 2005 CG MET A 132 7.975 0.162 -1.839 1.00 0.88 C ATOM 2006 SD MET A 132 8.143 1.165 -3.320 1.00 1.60 S ATOM 2007 CE MET A 132 9.884 0.968 -3.677 1.00 1.61 C ATOM 0 H MET A 132 7.427 -1.228 0.229 1.00 0.25 H new ATOM 0 HA MET A 132 6.975 -2.516 -2.238 1.00 0.26 H new ATOM 0 HB2 MET A 132 9.571 -1.186 -1.464 1.00 0.32 H new ATOM 0 HB3 MET A 132 8.859 -1.334 -3.059 1.00 0.32 H new ATOM 0 HG2 MET A 132 6.918 0.030 -1.606 1.00 0.88 H new ATOM 0 HG3 MET A 132 8.425 0.682 -0.993 1.00 0.88 H new ATOM 0 HE1 MET A 132 10.270 1.884 -4.124 1.00 1.61 H new ATOM 0 HE2 MET A 132 10.424 0.760 -2.753 1.00 1.61 H new ATOM 0 HE3 MET A 132 10.021 0.140 -4.372 1.00 1.61 H new ATOM 2017 N GLU A 133 8.997 -3.999 -0.207 1.00 0.32 N ATOM 2018 CA GLU A 133 9.769 -5.219 -0.064 1.00 0.40 C ATOM 2019 C GLU A 133 8.826 -6.398 -0.221 1.00 0.38 C ATOM 2020 O GLU A 133 9.241 -7.528 -0.472 1.00 0.45 O ATOM 2021 CB GLU A 133 10.525 -5.279 1.264 1.00 0.54 C ATOM 2022 CG GLU A 133 9.709 -5.784 2.439 1.00 0.79 C ATOM 2023 CD GLU A 133 10.582 -6.181 3.608 1.00 1.07 C ATOM 2024 OE1 GLU A 133 11.158 -5.284 4.260 1.00 1.67 O ATOM 2025 OE2 GLU A 133 10.717 -7.394 3.865 1.00 1.53 O ATOM 0 H GLU A 133 8.757 -3.529 0.666 1.00 0.32 H new ATOM 0 HA GLU A 133 10.535 -5.248 -0.839 1.00 0.40 H new ATOM 0 HB2 GLU A 133 11.396 -5.923 1.141 1.00 0.54 H new ATOM 0 HB3 GLU A 133 10.897 -4.282 1.500 1.00 0.54 H new ATOM 0 HG2 GLU A 133 9.011 -5.009 2.755 1.00 0.79 H new ATOM 0 HG3 GLU A 133 9.113 -6.641 2.125 1.00 0.79 H new ATOM 2032 N TYR A 134 7.540 -6.104 -0.080 1.00 0.35 N ATOM 2033 CA TYR A 134 6.494 -7.042 -0.451 1.00 0.40 C ATOM 2034 C TYR A 134 5.977 -6.687 -1.844 1.00 0.41 C ATOM 2035 O TYR A 134 4.856 -7.025 -2.232 1.00 0.50 O ATOM 2036 CB TYR A 134 5.388 -7.023 0.587 1.00 0.46 C ATOM 2037 CG TYR A 134 5.836 -7.559 1.928 1.00 0.55 C ATOM 2038 CD1 TYR A 134 6.266 -8.874 2.076 1.00 0.98 C ATOM 2039 CD2 TYR A 134 5.809 -6.752 3.057 1.00 0.88 C ATOM 2040 CE1 TYR A 134 6.653 -9.362 3.307 1.00 1.08 C ATOM 2041 CE2 TYR A 134 6.193 -7.234 4.291 1.00 0.95 C ATOM 2042 CZ TYR A 134 6.713 -8.547 4.376 1.00 0.80 C ATOM 2043 OH TYR A 134 6.989 -9.023 5.644 1.00 0.95 O ATOM 0 H TYR A 134 7.197 -5.218 0.291 1.00 0.35 H new ATOM 0 HA TYR A 134 6.890 -8.057 -0.483 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.029 -6.001 0.710 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.547 -7.615 0.226 1.00 0.46 H new ATOM 0 HD1 TYR A 134 6.297 -9.523 1.213 1.00 0.98 H new ATOM 0 HD2 TYR A 134 5.481 -5.727 2.968 1.00 0.88 H new ATOM 0 HE1 TYR A 134 6.910 -10.406 3.413 1.00 1.08 H new ATOM 0 HE2 TYR A 134 6.099 -6.621 5.175 1.00 0.95 H new ATOM 0 HH TYR A 134 6.989 -8.278 6.280 1.00 0.95 H new ATOM 2053 N ASN A 135 6.849 -5.992 -2.578 1.00 0.36 N ATOM 2054 CA ASN A 135 6.604 -5.522 -3.938 1.00 0.43 C ATOM 2055 C ASN A 135 5.323 -4.693 -4.029 1.00 0.48 C ATOM 2056 O ASN A 135 4.433 -4.969 -4.835 1.00 0.64 O ATOM 2057 CB ASN A 135 6.588 -6.692 -4.929 1.00 0.58 C ATOM 2058 CG ASN A 135 6.542 -6.240 -6.372 1.00 0.71 C ATOM 2059 OD1 ASN A 135 6.915 -5.114 -6.697 1.00 0.89 O ATOM 2060 ND2 ASN A 135 6.141 -7.134 -7.250 1.00 1.10 N ATOM 0 H ASN A 135 7.772 -5.734 -2.229 1.00 0.36 H new ATOM 0 HA ASN A 135 7.429 -4.864 -4.212 1.00 0.43 H new ATOM 0 HB2 ASN A 135 7.476 -7.305 -4.774 1.00 0.58 H new ATOM 0 HB3 ASN A 135 5.724 -7.324 -4.724 1.00 0.58 H new ATOM 0 HD21 ASN A 135 6.132 -6.904 -8.244 1.00 1.10 H new ATOM 0 HD22 ASN A 135 5.840 -8.057 -6.937 1.00 1.10 H new ATOM 2067 N LEU A 136 5.231 -3.688 -3.175 1.00 0.44 N ATOM 2068 CA LEU A 136 4.152 -2.731 -3.227 1.00 0.54 C ATOM 2069 C LEU A 136 4.704 -1.340 -3.405 1.00 0.41 C ATOM 2070 O LEU A 136 5.102 -0.691 -2.443 1.00 0.47 O ATOM 2071 CB LEU A 136 3.350 -2.800 -1.959 1.00 0.78 C ATOM 2072 CG LEU A 136 2.631 -4.114 -1.739 1.00 0.64 C ATOM 2073 CD1 LEU A 136 2.115 -4.185 -0.317 1.00 1.36 C ATOM 2074 CD2 LEU A 136 1.508 -4.254 -2.749 1.00 1.17 C ATOM 0 H LEU A 136 5.905 -3.517 -2.428 1.00 0.44 H new ATOM 0 HA LEU A 136 3.508 -2.969 -4.074 1.00 0.54 H new ATOM 0 HB2 LEU A 136 4.014 -2.618 -1.114 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.615 -1.995 -1.965 1.00 0.78 H new ATOM 0 HG LEU A 136 3.322 -4.944 -1.885 1.00 0.64 H new ATOM 0 HD11 LEU A 136 1.598 -5.133 -0.164 1.00 1.36 H new ATOM 0 HD12 LEU A 136 2.952 -4.112 0.378 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.423 -3.362 -0.140 1.00 1.36 H new ATOM 0 HD21 LEU A 136 0.991 -5.200 -2.590 1.00 1.17 H new ATOM 0 HD22 LEU A 136 0.804 -3.431 -2.627 1.00 1.17 H new ATOM 0 HD23 LEU A 136 1.921 -4.231 -3.758 1.00 1.17 H new ATOM 2086 N VAL A 137 4.725 -0.893 -4.637 1.00 0.31 N ATOM 2087 CA VAL A 137 5.341 0.378 -4.950 1.00 0.27 C ATOM 2088 C VAL A 137 4.297 1.455 -5.179 1.00 0.29 C ATOM 2089 O VAL A 137 3.409 1.314 -6.017 1.00 0.33 O ATOM 2090 CB VAL A 137 6.256 0.286 -6.172 1.00 0.29 C ATOM 2091 CG1 VAL A 137 6.907 1.640 -6.441 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.291 -0.805 -5.953 1.00 0.41 C ATOM 0 H VAL A 137 4.326 -1.385 -5.436 1.00 0.31 H new ATOM 0 HA VAL A 137 5.948 0.648 -4.086 1.00 0.27 H new ATOM 0 HB VAL A 137 5.671 0.022 -7.053 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.557 1.565 -7.313 1.00 0.43 H new ATOM 0 HG12 VAL A 137 6.134 2.385 -6.628 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.496 1.939 -5.574 1.00 0.43 H new ATOM 0 HG21 VAL A 137 7.942 -0.869 -6.825 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.887 -0.569 -5.071 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.787 -1.760 -5.805 1.00 0.41 H new ATOM 2102 N PRO A 138 4.388 2.514 -4.378 1.00 0.34 N ATOM 2103 CA PRO A 138 3.567 3.703 -4.488 1.00 0.43 C ATOM 2104 C PRO A 138 3.348 4.165 -5.910 1.00 0.43 C ATOM 2105 O PRO A 138 4.238 4.104 -6.761 1.00 0.45 O ATOM 2106 CB PRO A 138 4.378 4.749 -3.745 1.00 0.53 C ATOM 2107 CG PRO A 138 5.151 3.997 -2.727 1.00 0.54 C ATOM 2108 CD PRO A 138 5.280 2.590 -3.224 1.00 0.39 C ATOM 0 HA PRO A 138 2.567 3.521 -4.095 1.00 0.43 H new ATOM 0 HB2 PRO A 138 5.040 5.287 -4.423 1.00 0.53 H new ATOM 0 HB3 PRO A 138 3.730 5.490 -3.278 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.134 4.446 -2.580 1.00 0.54 H new ATOM 0 HG3 PRO A 138 4.643 4.020 -1.763 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.309 2.363 -3.504 1.00 0.39 H new ATOM 0 HD3 PRO A 138 4.993 1.872 -2.456 1.00 0.39 H new ATOM 2116 N GLU A 139 2.159 4.667 -6.131 1.00 0.48 N ATOM 2117 CA GLU A 139 1.788 5.235 -7.422 1.00 0.56 C ATOM 2118 C GLU A 139 2.461 6.582 -7.590 1.00 0.56 C ATOM 2119 O GLU A 139 2.636 7.082 -8.704 1.00 0.64 O ATOM 2120 CB GLU A 139 0.275 5.385 -7.536 1.00 0.71 C ATOM 2121 CG GLU A 139 -0.426 4.128 -8.012 1.00 1.35 C ATOM 2122 CD GLU A 139 -0.077 3.791 -9.440 1.00 2.40 C ATOM 2123 OE1 GLU A 139 0.920 3.081 -9.658 1.00 3.08 O ATOM 2124 OE2 GLU A 139 -0.786 4.260 -10.355 1.00 2.78 O ATOM 0 H GLU A 139 1.418 4.698 -5.431 1.00 0.48 H new ATOM 0 HA GLU A 139 2.119 4.560 -8.211 1.00 0.56 H new ATOM 0 HB2 GLU A 139 -0.128 5.669 -6.564 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.050 6.199 -8.225 1.00 0.71 H new ATOM 0 HG2 GLU A 139 -0.153 3.294 -7.366 1.00 1.35 H new ATOM 0 HG3 GLU A 139 -1.504 4.259 -7.924 1.00 1.35 H new ATOM 2131 N GLU A 140 2.827 7.161 -6.459 1.00 0.54 N ATOM 2132 CA GLU A 140 3.614 8.380 -6.417 1.00 0.60 C ATOM 2133 C GLU A 140 5.042 8.112 -6.868 1.00 0.56 C ATOM 2134 O GLU A 140 5.754 9.034 -7.270 1.00 0.65 O ATOM 2135 CB GLU A 140 3.619 8.984 -5.003 1.00 0.67 C ATOM 2136 CG GLU A 140 3.376 7.980 -3.888 1.00 0.63 C ATOM 2137 CD GLU A 140 1.910 7.625 -3.731 1.00 1.12 C ATOM 2138 OE1 GLU A 140 1.145 8.475 -3.243 1.00 1.27 O ATOM 2139 OE2 GLU A 140 1.524 6.500 -4.118 1.00 1.57 O ATOM 0 H GLU A 140 2.584 6.795 -5.538 1.00 0.54 H new ATOM 0 HA GLU A 140 3.155 9.095 -7.099 1.00 0.60 H new ATOM 0 HB2 GLU A 140 4.579 9.471 -4.833 1.00 0.67 H new ATOM 0 HB3 GLU A 140 2.854 9.759 -4.950 1.00 0.67 H new ATOM 0 HG2 GLU A 140 3.946 7.073 -4.090 1.00 0.63 H new ATOM 0 HG3 GLU A 140 3.750 8.388 -2.949 1.00 0.63 H new ATOM 2146 N TRP A 141 5.472 6.850 -6.794 1.00 0.47 N ATOM 2147 CA TRP A 141 6.821 6.499 -7.157 1.00 0.49 C ATOM 2148 C TRP A 141 6.855 5.855 -8.531 1.00 0.51 C ATOM 2149 O TRP A 141 7.800 6.048 -9.295 1.00 0.66 O ATOM 2150 CB TRP A 141 7.418 5.577 -6.113 1.00 0.45 C ATOM 2151 CG TRP A 141 7.498 6.178 -4.737 1.00 0.46 C ATOM 2152 CD1 TRP A 141 7.101 7.425 -4.338 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.006 5.536 -3.572 1.00 0.44 C ATOM 2154 NE1 TRP A 141 7.327 7.587 -2.996 1.00 0.55 N ATOM 2155 CE2 TRP A 141 7.886 6.440 -2.503 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.546 4.280 -3.335 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.292 6.118 -1.212 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 8.945 3.954 -2.056 1.00 0.50 C ATOM 2159 CH2 TRP A 141 8.816 4.870 -1.005 1.00 0.52 C ATOM 0 H TRP A 141 4.897 6.066 -6.485 1.00 0.47 H new ATOM 0 HA TRP A 141 7.421 7.408 -7.198 1.00 0.49 H new ATOM 0 HB2 TRP A 141 6.822 4.665 -6.066 1.00 0.45 H new ATOM 0 HB3 TRP A 141 8.420 5.287 -6.430 1.00 0.45 H new ATOM 0 HD1 TRP A 141 6.671 8.174 -4.987 1.00 0.54 H new ATOM 0 HE1 TRP A 141 7.114 8.425 -2.454 1.00 0.55 H new ATOM 0 HE3 TRP A 141 8.652 3.568 -4.140 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.197 6.827 -0.402 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.363 2.977 -1.862 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.136 4.587 -0.013 1.00 0.52 H new ATOM 2170 N GLY A 142 5.808 5.106 -8.848 1.00 0.45 N ATOM 2171 CA GLY A 142 5.706 4.493 -10.155 1.00 0.50 C ATOM 2172 C GLY A 142 5.573 2.988 -10.083 1.00 0.45 C ATOM 2173 O GLY A 142 6.026 2.280 -10.979 1.00 0.53 O ATOM 0 H GLY A 142 5.027 4.912 -8.222 1.00 0.45 H new ATOM 0 HA2 GLY A 142 4.844 4.905 -10.679 1.00 0.50 H new ATOM 0 HA3 GLY A 142 6.588 4.748 -10.742 1.00 0.50 H new ATOM 2177 N GLY A 143 4.979 2.492 -9.007 1.00 0.39 N ATOM 2178 CA GLY A 143 4.740 1.066 -8.891 1.00 0.41 C ATOM 2179 C GLY A 143 3.345 0.676 -9.327 1.00 0.45 C ATOM 2180 O GLY A 143 3.011 0.765 -10.513 1.00 0.60 O ATOM 0 H GLY A 143 4.659 3.048 -8.214 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.470 0.528 -9.496 1.00 0.41 H new ATOM 0 HA3 GLY A 143 4.894 0.758 -7.857 1.00 0.41 H new ATOM 2184 N ASP A 144 2.532 0.233 -8.374 1.00 0.40 N ATOM 2185 CA ASP A 144 1.141 -0.101 -8.651 1.00 0.45 C ATOM 2186 C ASP A 144 0.319 -0.175 -7.358 1.00 0.33 C ATOM 2187 O ASP A 144 -0.313 -1.192 -7.022 1.00 0.35 O ATOM 2188 CB ASP A 144 1.048 -1.426 -9.430 1.00 0.64 C ATOM 2189 CG ASP A 144 1.725 -2.599 -8.729 1.00 1.33 C ATOM 2190 OD1 ASP A 144 2.970 -2.598 -8.614 1.00 1.91 O ATOM 2191 OD2 ASP A 144 1.011 -3.519 -8.266 1.00 1.91 O ATOM 0 H ASP A 144 2.813 0.097 -7.403 1.00 0.40 H new ATOM 0 HA ASP A 144 0.722 0.694 -9.268 1.00 0.45 H new ATOM 0 HB2 ASP A 144 -0.002 -1.669 -9.593 1.00 0.64 H new ATOM 0 HB3 ASP A 144 1.500 -1.292 -10.413 1.00 0.64 H new ATOM 2196 N THR A 145 0.281 0.947 -6.664 1.00 0.26 N ATOM 2197 CA THR A 145 -0.462 1.067 -5.427 1.00 0.24 C ATOM 2198 C THR A 145 -0.629 2.532 -5.050 1.00 0.27 C ATOM 2199 O THR A 145 0.358 3.221 -4.802 1.00 0.37 O ATOM 2200 CB THR A 145 0.244 0.338 -4.261 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.292 -1.077 -4.495 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.475 0.614 -2.954 1.00 0.30 C ATOM 0 H THR A 145 0.765 1.800 -6.943 1.00 0.26 H new ATOM 0 HA THR A 145 -1.435 0.605 -5.594 1.00 0.24 H new ATOM 0 HB THR A 145 1.264 0.716 -4.198 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.268 -1.300 -5.268 1.00 0.30 H new ATOM 0 HG21 THR A 145 0.034 0.094 -2.142 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.472 1.686 -2.756 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.504 0.261 -3.023 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.859 3.021 -5.012 1.00 0.26 N ATOM 2211 CA ILE A 146 -2.099 4.362 -4.528 1.00 0.28 C ATOM 2212 C ILE A 146 -1.870 4.396 -3.028 1.00 0.23 C ATOM 2213 O ILE A 146 -2.651 3.852 -2.248 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.522 4.855 -4.862 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.649 5.184 -6.350 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.885 6.061 -4.014 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.872 6.416 -6.766 1.00 0.63 C ATOM 0 H ILE A 146 -2.693 2.514 -5.307 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.403 5.035 -5.030 1.00 0.28 H new ATOM 0 HB ILE A 146 -4.221 4.051 -4.631 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -3.302 4.331 -6.933 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.702 5.329 -6.593 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.892 6.393 -4.265 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.845 5.789 -2.959 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -3.178 6.868 -4.208 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -3.008 6.589 -7.834 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -3.235 7.280 -6.209 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.813 6.267 -6.555 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.762 4.986 -2.645 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.408 5.114 -1.251 1.00 0.30 C ATOM 2231 C PHE A 147 -0.981 6.397 -0.669 1.00 0.32 C ATOM 2232 O PHE A 147 -0.604 7.495 -1.066 1.00 0.50 O ATOM 2233 CB PHE A 147 1.099 5.143 -1.101 1.00 0.41 C ATOM 2234 CG PHE A 147 1.740 3.799 -0.951 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.814 2.941 -2.022 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.283 3.405 0.259 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.417 1.711 -1.903 1.00 0.33 C ATOM 2238 CE2 PHE A 147 2.892 2.173 0.387 1.00 0.36 C ATOM 2239 CZ PHE A 147 2.959 1.323 -0.697 1.00 0.33 C ATOM 0 H PHE A 147 -0.082 5.390 -3.289 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.820 4.258 -0.716 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.527 5.639 -1.972 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.352 5.750 -0.232 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.392 3.237 -2.971 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.230 4.067 1.111 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.466 1.049 -2.755 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.315 1.875 1.335 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.434 0.358 -0.601 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.892 6.262 0.259 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.407 7.411 0.971 1.00 0.27 C ATOM 2251 C CYS A 148 -1.795 7.503 2.362 1.00 0.31 C ATOM 2252 O CYS A 148 -1.972 6.613 3.184 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.924 7.333 1.054 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.746 7.449 -0.551 1.00 0.68 S ATOM 0 H CYS A 148 -2.295 5.369 0.542 1.00 0.26 H new ATOM 0 HA CYS A 148 -2.132 8.313 0.424 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -4.205 6.393 1.529 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -4.286 8.136 1.696 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.075 6.259 -0.957 1.00 0.68 H new ATOM 2260 N LYS A 149 -1.053 8.570 2.610 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.466 8.811 3.924 1.00 0.28 C ATOM 2262 C LYS A 149 -1.449 9.615 4.764 1.00 0.28 C ATOM 2263 O LYS A 149 -1.615 10.815 4.552 1.00 0.40 O ATOM 2264 CB LYS A 149 0.856 9.573 3.783 1.00 0.36 C ATOM 2265 CG LYS A 149 1.834 8.914 2.821 1.00 0.56 C ATOM 2266 CD LYS A 149 3.085 9.758 2.619 1.00 0.89 C ATOM 2267 CE LYS A 149 3.964 9.176 1.525 1.00 1.01 C ATOM 2268 NZ LYS A 149 5.203 9.970 1.306 1.00 1.44 N ATOM 0 H LYS A 149 -0.841 9.288 1.917 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.261 7.858 4.412 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.648 10.586 3.440 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.324 9.658 4.764 1.00 0.36 H new ATOM 0 HG2 LYS A 149 2.115 7.933 3.204 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.345 8.753 1.860 1.00 0.56 H new ATOM 0 HD2 LYS A 149 2.802 10.778 2.359 1.00 0.89 H new ATOM 0 HD3 LYS A 149 3.647 9.811 3.552 1.00 0.89 H new ATOM 0 HE2 LYS A 149 4.234 8.153 1.786 1.00 1.01 H new ATOM 0 HE3 LYS A 149 3.398 9.129 0.595 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 5.751 9.551 0.528 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 4.950 10.949 1.063 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 5.776 9.966 2.174 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.124 8.959 5.697 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.192 9.611 6.420 1.00 0.22 C ATOM 2284 C LEU A 150 -3.141 9.348 7.921 1.00 0.19 C ATOM 2285 O LEU A 150 -2.232 8.731 8.460 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.540 9.147 5.863 1.00 0.25 C ATOM 2287 CG LEU A 150 -4.875 7.674 6.028 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.738 7.438 7.253 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.548 7.138 4.777 1.00 0.84 C ATOM 0 H LEU A 150 -1.951 7.990 5.964 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.067 10.685 6.281 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.326 9.731 6.343 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.570 9.386 4.800 1.00 0.25 H new ATOM 0 HG LEU A 150 -3.942 7.131 6.175 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.960 6.375 7.342 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.206 7.774 8.143 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.669 7.996 7.155 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -5.781 6.082 4.913 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.469 7.692 4.594 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -4.878 7.255 3.925 1.00 0.84 H new ATOM 2301 N SER A 151 -4.162 9.828 8.565 1.00 0.26 N ATOM 2302 CA SER A 151 -4.421 9.605 9.963 1.00 0.29 C ATOM 2303 C SER A 151 -5.910 9.701 10.147 1.00 0.25 C ATOM 2304 O SER A 151 -6.510 10.733 9.837 1.00 0.29 O ATOM 2305 CB SER A 151 -3.742 10.619 10.863 1.00 0.46 C ATOM 2306 OG SER A 151 -4.261 10.521 12.174 1.00 1.77 O ATOM 0 H SER A 151 -4.869 10.410 8.116 1.00 0.26 H new ATOM 0 HA SER A 151 -4.023 8.630 10.244 1.00 0.29 H new ATOM 0 HB2 SER A 151 -2.666 10.445 10.874 1.00 0.46 H new ATOM 0 HB3 SER A 151 -3.898 11.625 10.475 1.00 0.46 H new ATOM 0 HG SER A 151 -3.689 9.933 12.709 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.518 8.630 10.588 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.929 8.666 10.877 1.00 0.31 C ATOM 2314 C ALA A 152 -8.148 9.311 12.226 1.00 0.33 C ATOM 2315 O ALA A 152 -9.280 9.573 12.631 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.518 7.280 10.826 1.00 0.41 C ATOM 0 H ALA A 152 -6.065 7.731 10.754 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.439 9.262 10.120 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.584 7.329 11.047 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -8.373 6.859 9.831 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -8.024 6.647 11.563 1.00 0.41 H new ATOM 2322 N LYS A 153 -7.049 9.556 12.926 1.00 0.30 N ATOM 2323 CA LYS A 153 -7.098 10.315 14.147 1.00 0.34 C ATOM 2324 C LYS A 153 -7.299 11.796 13.839 1.00 0.36 C ATOM 2325 O LYS A 153 -8.241 12.412 14.334 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.831 10.109 14.953 1.00 0.35 C ATOM 2327 CG LYS A 153 -6.091 10.039 16.437 1.00 0.60 C ATOM 2328 CD LYS A 153 -6.701 11.334 16.944 1.00 1.12 C ATOM 2329 CE LYS A 153 -7.146 11.240 18.389 1.00 1.65 C ATOM 2330 NZ LYS A 153 -7.845 12.480 18.819 1.00 2.30 N ATOM 0 H LYS A 153 -6.117 9.236 12.661 1.00 0.30 H new ATOM 0 HA LYS A 153 -7.942 9.964 14.740 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.345 9.189 14.629 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -5.138 10.925 14.748 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.762 9.208 16.654 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -5.158 9.841 16.964 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -5.973 12.139 16.843 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -7.555 11.598 16.321 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -7.809 10.384 18.513 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -6.280 11.067 19.028 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -8.138 12.387 19.812 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -7.202 13.292 18.722 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -8.684 12.630 18.223 1.00 2.30 H new ATOM 2344 N THR A 154 -6.424 12.374 13.015 1.00 0.30 N ATOM 2345 CA THR A 154 -6.566 13.785 12.667 1.00 0.39 C ATOM 2346 C THR A 154 -7.573 13.987 11.542 1.00 0.36 C ATOM 2347 O THR A 154 -7.943 15.119 11.220 1.00 0.41 O ATOM 2348 CB THR A 154 -5.222 14.428 12.283 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.406 13.489 11.570 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.489 14.926 13.519 1.00 0.70 C ATOM 0 H THR A 154 -5.629 11.900 12.586 1.00 0.30 H new ATOM 0 HA THR A 154 -6.936 14.282 13.564 1.00 0.39 H new ATOM 0 HB THR A 154 -5.425 15.281 11.636 1.00 0.47 H new ATOM 0 HG1 THR A 154 -3.766 13.973 11.008 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.542 15.377 13.223 1.00 0.70 H new ATOM 0 HG22 THR A 154 -5.101 15.670 14.030 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.299 14.089 14.191 1.00 0.70 H new ATOM 2358 N LYS A 155 -8.000 12.871 10.945 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.060 12.869 9.933 1.00 0.32 C ATOM 2360 C LYS A 155 -8.635 13.605 8.684 1.00 0.34 C ATOM 2361 O LYS A 155 -9.427 14.307 8.058 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.343 13.491 10.479 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.088 12.580 11.420 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.322 11.228 10.775 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.332 10.415 11.567 1.00 0.61 C ATOM 2366 NZ LYS A 155 -11.923 10.249 12.988 1.00 1.36 N ATOM 0 H LYS A 155 -7.622 11.946 11.149 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.251 11.827 9.676 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -10.098 14.418 10.998 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -10.995 13.755 9.646 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.520 12.456 12.342 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.043 13.030 11.692 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -11.680 11.365 9.755 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.380 10.683 10.712 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -13.305 10.905 11.525 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -12.449 9.434 11.106 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -12.499 9.505 13.431 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -10.919 9.981 13.031 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -12.064 11.145 13.497 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.396 13.408 8.302 1.00 0.30 N ATOM 2381 CA GLU A 156 -6.843 14.165 7.184 1.00 0.33 C ATOM 2382 C GLU A 156 -6.902 13.345 5.916 1.00 0.28 C ATOM 2383 O GLU A 156 -7.658 13.622 4.974 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.389 14.550 7.466 1.00 0.40 C ATOM 2385 CG GLU A 156 -5.188 15.159 8.833 1.00 1.30 C ATOM 2386 CD GLU A 156 -3.757 15.586 9.081 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.353 16.656 8.579 1.00 1.52 O ATOM 2388 OE2 GLU A 156 -3.027 14.855 9.783 1.00 2.48 O ATOM 0 H GLU A 156 -6.754 12.744 8.734 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.438 15.070 7.059 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -4.761 13.664 7.375 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -5.054 15.258 6.708 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -5.844 16.023 8.941 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -5.484 14.437 9.594 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.112 12.302 5.931 1.00 0.29 N ATOM 2396 CA GLY A 157 -5.941 11.480 4.772 1.00 0.28 C ATOM 2397 C GLY A 157 -7.176 10.679 4.400 1.00 0.27 C ATOM 2398 O GLY A 157 -7.222 10.119 3.316 1.00 0.29 O ATOM 0 H GLY A 157 -5.574 12.004 6.745 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.661 12.111 3.929 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.112 10.793 4.944 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.172 10.605 5.285 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.383 9.859 4.976 1.00 0.28 C ATOM 2404 C LEU A 158 -10.142 10.551 3.863 1.00 0.30 C ATOM 2405 O LEU A 158 -10.708 9.914 2.972 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.273 9.730 6.209 1.00 0.31 C ATOM 2407 CG LEU A 158 -9.778 8.751 7.273 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -10.786 8.648 8.406 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.521 7.377 6.666 1.00 0.80 C ATOM 0 H LEU A 158 -8.162 11.046 6.205 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.098 8.858 4.653 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.378 10.714 6.665 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.267 9.420 5.888 1.00 0.31 H new ATOM 0 HG LEU A 158 -8.838 9.129 7.674 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.420 7.947 9.156 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -10.923 9.629 8.862 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.739 8.294 8.014 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.169 6.697 7.442 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.445 6.991 6.236 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.764 7.460 5.886 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.121 11.870 3.910 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.768 12.666 2.892 1.00 0.38 C ATOM 2423 C ASP A 159 -9.966 12.584 1.600 1.00 0.32 C ATOM 2424 O ASP A 159 -10.521 12.415 0.518 1.00 0.33 O ATOM 2425 CB ASP A 159 -10.897 14.118 3.347 1.00 0.50 C ATOM 2426 CG ASP A 159 -11.943 14.879 2.560 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -13.131 14.812 2.939 1.00 2.20 O ATOM 2428 OD2 ASP A 159 -11.586 15.555 1.575 1.00 1.42 O ATOM 0 H ASP A 159 -9.662 12.410 4.644 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.771 12.276 2.718 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -11.154 14.143 4.406 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -9.933 14.616 3.241 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.644 12.666 1.742 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.732 12.545 0.600 1.00 0.30 C ATOM 2435 C HIS A 160 -7.760 11.120 0.026 1.00 0.28 C ATOM 2436 O HIS A 160 -7.395 10.897 -1.128 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.306 12.934 1.033 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.243 12.745 -0.014 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -4.959 13.678 -0.995 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.379 11.721 -0.218 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -3.966 13.232 -1.749 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.600 12.049 -1.296 1.00 0.54 N ATOM 0 H HIS A 160 -8.178 12.816 2.637 1.00 0.30 H new ATOM 0 HA HIS A 160 -8.060 13.224 -0.187 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.309 13.980 1.339 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -6.037 12.346 1.911 1.00 0.34 H new ATOM 0 HD2 HIS A 160 -4.316 10.813 0.363 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -3.530 13.749 -2.591 1.00 0.58 H new ATOM 0 HE2 HIS A 160 -2.856 11.471 -1.686 1.00 0.54 H new ATOM 2451 N LEU A 161 -8.211 10.170 0.836 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.279 8.767 0.436 1.00 0.28 C ATOM 2453 C LEU A 161 -9.293 8.585 -0.675 1.00 0.29 C ATOM 2454 O LEU A 161 -8.967 8.096 -1.756 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.672 7.901 1.634 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.741 6.393 1.369 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -7.367 5.839 1.034 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -9.330 5.671 2.569 1.00 1.16 C ATOM 0 H LEU A 161 -8.539 10.348 1.785 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.297 8.461 0.075 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -7.957 8.078 2.437 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.645 8.233 1.995 1.00 0.29 H new ATOM 0 HG LEU A 161 -9.391 6.226 0.510 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.442 4.767 0.850 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -6.982 6.334 0.142 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -6.689 6.017 1.869 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -9.372 4.601 2.365 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -8.705 5.849 3.444 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -10.336 6.044 2.760 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.523 8.990 -0.394 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.611 8.894 -1.363 1.00 0.37 C ATOM 2472 C LEU A 162 -11.241 9.625 -2.639 1.00 0.38 C ATOM 2473 O LEU A 162 -11.515 9.157 -3.739 1.00 0.45 O ATOM 2474 CB LEU A 162 -12.880 9.518 -0.796 1.00 0.47 C ATOM 2475 CG LEU A 162 -13.155 9.206 0.668 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -14.426 9.899 1.121 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -13.255 7.702 0.897 1.00 1.51 C ATOM 0 H LEU A 162 -10.796 9.391 0.503 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.783 7.839 -1.577 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -12.819 10.600 -0.916 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.729 9.179 -1.389 1.00 0.47 H new ATOM 0 HG LEU A 162 -12.320 9.581 1.260 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -14.612 9.668 2.170 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -14.316 10.977 1.001 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -15.265 9.551 0.518 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -13.452 7.507 1.951 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -14.068 7.295 0.295 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -12.317 7.227 0.609 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.623 10.785 -2.468 1.00 0.37 N ATOM 2490 CA GLU A 163 -10.148 11.583 -3.594 1.00 0.44 C ATOM 2491 C GLU A 163 -9.220 10.779 -4.500 1.00 0.41 C ATOM 2492 O GLU A 163 -9.358 10.800 -5.721 1.00 0.50 O ATOM 2493 CB GLU A 163 -9.428 12.827 -3.088 1.00 0.56 C ATOM 2494 CG GLU A 163 -10.344 13.799 -2.372 1.00 1.03 C ATOM 2495 CD GLU A 163 -11.398 14.385 -3.285 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -11.035 14.940 -4.344 1.00 2.14 O ATOM 2497 OE2 GLU A 163 -12.596 14.312 -2.941 1.00 2.57 O ATOM 0 H GLU A 163 -10.437 11.198 -1.554 1.00 0.37 H new ATOM 0 HA GLU A 163 -11.017 11.879 -4.181 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -8.629 12.526 -2.411 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -8.958 13.334 -3.930 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -10.831 13.289 -1.541 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -9.749 14.606 -1.945 1.00 1.03 H new ATOM 2504 N MET A 164 -8.281 10.062 -3.896 1.00 0.37 N ATOM 2505 CA MET A 164 -7.353 9.240 -4.662 1.00 0.39 C ATOM 2506 C MET A 164 -8.076 8.045 -5.263 1.00 0.37 C ATOM 2507 O MET A 164 -7.894 7.719 -6.436 1.00 0.43 O ATOM 2508 CB MET A 164 -6.200 8.763 -3.782 1.00 0.43 C ATOM 2509 CG MET A 164 -5.297 9.872 -3.264 1.00 0.64 C ATOM 2510 SD MET A 164 -4.303 10.663 -4.552 1.00 0.58 S ATOM 2511 CE MET A 164 -5.505 11.728 -5.350 1.00 0.53 C ATOM 0 H MET A 164 -8.142 10.033 -2.886 1.00 0.37 H new ATOM 0 HA MET A 164 -6.945 9.850 -5.468 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.611 8.220 -2.931 1.00 0.43 H new ATOM 0 HB3 MET A 164 -5.595 8.056 -4.350 1.00 0.43 H new ATOM 0 HG2 MET A 164 -5.910 10.629 -2.775 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.631 9.461 -2.505 1.00 0.64 H new ATOM 0 HE1 MET A 164 -5.040 12.684 -5.592 1.00 0.53 H new ATOM 0 HE2 MET A 164 -5.859 11.255 -6.266 1.00 0.53 H new ATOM 0 HE3 MET A 164 -6.347 11.894 -4.678 1.00 0.53 H new ATOM 2521 N ILE A 165 -8.911 7.410 -4.452 1.00 0.34 N ATOM 2522 CA ILE A 165 -9.681 6.255 -4.885 1.00 0.38 C ATOM 2523 C ILE A 165 -10.583 6.595 -6.068 1.00 0.44 C ATOM 2524 O ILE A 165 -10.586 5.890 -7.076 1.00 0.52 O ATOM 2525 CB ILE A 165 -10.547 5.702 -3.736 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -9.658 5.119 -2.634 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -11.516 4.651 -4.258 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -10.433 4.606 -1.439 1.00 0.50 C ATOM 0 H ILE A 165 -9.072 7.680 -3.482 1.00 0.34 H new ATOM 0 HA ILE A 165 -8.962 5.496 -5.194 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.128 6.521 -3.312 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.066 4.304 -3.050 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -8.957 5.885 -2.301 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.120 4.271 -3.434 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.168 5.098 -5.009 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -10.956 3.830 -4.706 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -9.739 4.208 -0.699 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.004 5.423 -0.998 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.114 3.818 -1.758 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.338 7.680 -5.949 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.279 8.068 -6.989 1.00 0.57 C ATOM 2542 C LEU A 166 -11.546 8.629 -8.202 1.00 0.61 C ATOM 2543 O LEU A 166 -12.073 8.618 -9.309 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.329 9.052 -6.439 1.00 0.66 C ATOM 2545 CG LEU A 166 -13.407 10.423 -7.120 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -14.807 11.001 -6.968 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -12.386 11.377 -6.523 1.00 1.38 C ATOM 0 H LEU A 166 -11.316 8.305 -5.143 1.00 0.46 H new ATOM 0 HA LEU A 166 -12.815 7.179 -7.321 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -14.309 8.580 -6.510 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -13.127 9.209 -5.379 1.00 0.66 H new ATOM 0 HG LEU A 166 -13.184 10.295 -8.179 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -14.853 11.975 -7.455 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -15.530 10.329 -7.431 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -15.041 11.113 -5.909 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -12.458 12.344 -7.020 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -12.583 11.501 -5.458 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -11.384 10.971 -6.662 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.329 9.114 -7.989 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.456 9.473 -9.098 1.00 0.64 C ATOM 2561 C LEU A 167 -9.165 8.226 -9.920 1.00 0.66 C ATOM 2562 O LEU A 167 -9.343 8.201 -11.137 1.00 0.75 O ATOM 2563 CB LEU A 167 -8.142 10.067 -8.590 1.00 0.64 C ATOM 2564 CG LEU A 167 -7.241 10.671 -9.670 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -7.930 11.844 -10.351 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -5.910 11.107 -9.076 1.00 1.51 C ATOM 0 H LEU A 167 -9.927 9.267 -7.064 1.00 0.56 H new ATOM 0 HA LEU A 167 -9.956 10.223 -9.711 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.371 10.840 -7.856 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.586 9.287 -8.070 1.00 0.64 H new ATOM 0 HG LEU A 167 -7.048 9.904 -10.420 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -7.272 12.259 -11.115 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -8.855 11.503 -10.815 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -8.157 12.612 -9.612 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -5.284 11.534 -9.860 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -6.084 11.856 -8.303 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -5.407 10.245 -8.639 1.00 1.51 H new ATOM 2578 N VAL A 168 -8.741 7.179 -9.227 1.00 0.61 N ATOM 2579 CA VAL A 168 -8.490 5.903 -9.855 1.00 0.69 C ATOM 2580 C VAL A 168 -9.784 5.309 -10.414 1.00 0.77 C ATOM 2581 O VAL A 168 -9.789 4.707 -11.485 1.00 0.89 O ATOM 2582 CB VAL A 168 -7.841 4.914 -8.874 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -7.496 3.630 -9.587 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -6.603 5.523 -8.239 1.00 0.66 C ATOM 0 H VAL A 168 -8.564 7.195 -8.223 1.00 0.61 H new ATOM 0 HA VAL A 168 -7.796 6.075 -10.677 1.00 0.69 H new ATOM 0 HB VAL A 168 -8.554 4.692 -8.080 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -7.037 2.935 -8.884 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -8.404 3.186 -9.996 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -6.798 3.840 -10.398 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -6.159 4.807 -7.548 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -5.881 5.773 -9.016 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -6.880 6.427 -7.696 1.00 0.66 H new ATOM 2594 N SER A 169 -10.886 5.492 -9.697 1.00 0.74 N ATOM 2595 CA SER A 169 -12.194 5.104 -10.212 1.00 0.87 C ATOM 2596 C SER A 169 -12.517 5.875 -11.500 1.00 0.96 C ATOM 2597 O SER A 169 -13.334 5.438 -12.310 1.00 1.12 O ATOM 2598 CB SER A 169 -13.268 5.364 -9.156 1.00 0.88 C ATOM 2599 OG SER A 169 -12.955 4.712 -7.933 1.00 1.35 O ATOM 0 H SER A 169 -10.901 5.904 -8.764 1.00 0.74 H new ATOM 0 HA SER A 169 -12.176 4.039 -10.445 1.00 0.87 H new ATOM 0 HB2 SER A 169 -13.362 6.436 -8.986 1.00 0.88 H new ATOM 0 HB3 SER A 169 -14.233 5.013 -9.521 1.00 0.88 H new ATOM 0 HG SER A 169 -12.167 5.133 -7.530 1.00 1.35 H new ATOM 2605 N GLU A 170 -11.844 7.007 -11.689 1.00 0.96 N ATOM 2606 CA GLU A 170 -12.067 7.871 -12.842 1.00 1.11 C ATOM 2607 C GLU A 170 -10.937 7.729 -13.872 1.00 1.17 C ATOM 2608 O GLU A 170 -10.907 8.453 -14.858 1.00 1.37 O ATOM 2609 CB GLU A 170 -12.211 9.332 -12.393 1.00 1.26 C ATOM 2610 CG GLU A 170 -12.643 10.280 -13.501 1.00 1.84 C ATOM 2611 CD GLU A 170 -12.856 11.696 -13.016 1.00 2.19 C ATOM 2612 OE1 GLU A 170 -11.854 12.409 -12.800 1.00 2.56 O ATOM 2613 OE2 GLU A 170 -14.025 12.103 -12.843 1.00 2.73 O ATOM 0 H GLU A 170 -11.129 7.350 -11.047 1.00 0.96 H new ATOM 0 HA GLU A 170 -12.994 7.560 -13.323 1.00 1.11 H new ATOM 0 HB2 GLU A 170 -12.938 9.382 -11.582 1.00 1.26 H new ATOM 0 HB3 GLU A 170 -11.258 9.673 -11.988 1.00 1.26 H new ATOM 0 HG2 GLU A 170 -11.887 10.281 -14.287 1.00 1.84 H new ATOM 0 HG3 GLU A 170 -13.567 9.912 -13.947 1.00 1.84 H new ATOM 2620 N MET A 171 -9.987 6.820 -13.613 1.00 1.11 N ATOM 2621 CA MET A 171 -8.874 6.541 -14.550 1.00 1.28 C ATOM 2622 C MET A 171 -9.310 6.516 -16.022 1.00 1.54 C ATOM 2623 O MET A 171 -8.527 6.867 -16.905 1.00 1.88 O ATOM 2624 CB MET A 171 -8.191 5.209 -14.233 1.00 1.31 C ATOM 2625 CG MET A 171 -7.262 5.232 -13.026 1.00 1.43 C ATOM 2626 SD MET A 171 -5.861 6.363 -13.205 1.00 1.66 S ATOM 2627 CE MET A 171 -6.601 7.917 -12.716 1.00 1.68 C ATOM 0 H MET A 171 -9.962 6.260 -12.761 1.00 1.11 H new ATOM 0 HA MET A 171 -8.177 7.367 -14.409 1.00 1.28 H new ATOM 0 HB2 MET A 171 -8.960 4.455 -14.066 1.00 1.31 H new ATOM 0 HB3 MET A 171 -7.620 4.894 -15.106 1.00 1.31 H new ATOM 0 HG2 MET A 171 -7.835 5.515 -12.143 1.00 1.43 H new ATOM 0 HG3 MET A 171 -6.884 4.225 -12.851 1.00 1.43 H new ATOM 0 HE1 MET A 171 -6.617 8.597 -13.568 1.00 1.68 H new ATOM 0 HE2 MET A 171 -7.621 7.742 -12.372 1.00 1.68 H new ATOM 0 HE3 MET A 171 -6.017 8.360 -11.909 1.00 1.68 H new ATOM 2637 N GLU A 172 -10.544 6.097 -16.284 1.00 1.62 N ATOM 2638 CA GLU A 172 -11.083 6.088 -17.644 1.00 2.07 C ATOM 2639 C GLU A 172 -11.001 7.477 -18.279 1.00 2.05 C ATOM 2640 O GLU A 172 -10.708 7.614 -19.467 1.00 2.58 O ATOM 2641 CB GLU A 172 -12.538 5.616 -17.627 1.00 2.47 C ATOM 2642 CG GLU A 172 -12.709 4.210 -17.081 1.00 3.01 C ATOM 2643 CD GLU A 172 -14.163 3.819 -16.910 1.00 3.71 C ATOM 2644 OE1 GLU A 172 -14.785 3.394 -17.904 1.00 4.04 O ATOM 2645 OE2 GLU A 172 -14.694 3.955 -15.788 1.00 4.27 O ATOM 0 H GLU A 172 -11.192 5.758 -15.573 1.00 1.62 H new ATOM 0 HA GLU A 172 -10.483 5.401 -18.240 1.00 2.07 H new ATOM 0 HB2 GLU A 172 -13.129 6.306 -17.025 1.00 2.47 H new ATOM 0 HB3 GLU A 172 -12.937 5.655 -18.641 1.00 2.47 H new ATOM 0 HG2 GLU A 172 -12.224 3.503 -17.754 1.00 3.01 H new ATOM 0 HG3 GLU A 172 -12.202 4.134 -16.119 1.00 3.01 H new ATOM 2652 N GLU A 173 -11.231 8.499 -17.467 1.00 1.85 N ATOM 2653 CA GLU A 173 -11.232 9.880 -17.926 1.00 2.28 C ATOM 2654 C GLU A 173 -9.903 10.567 -17.615 1.00 2.77 C ATOM 2655 O GLU A 173 -9.748 11.767 -17.842 1.00 3.47 O ATOM 2656 CB GLU A 173 -12.371 10.647 -17.261 1.00 2.50 C ATOM 2657 CG GLU A 173 -13.751 10.101 -17.589 1.00 2.86 C ATOM 2658 CD GLU A 173 -14.862 10.914 -16.959 1.00 3.41 C ATOM 2659 OE1 GLU A 173 -15.000 12.106 -17.306 1.00 3.91 O ATOM 2660 OE2 GLU A 173 -15.609 10.370 -16.114 1.00 3.82 O ATOM 0 H GLU A 173 -11.422 8.394 -16.471 1.00 1.85 H new ATOM 0 HA GLU A 173 -11.372 9.876 -19.007 1.00 2.28 H new ATOM 0 HB2 GLU A 173 -12.229 10.625 -16.180 1.00 2.50 H new ATOM 0 HB3 GLU A 173 -12.321 11.692 -17.568 1.00 2.50 H new ATOM 0 HG2 GLU A 173 -13.885 10.086 -18.671 1.00 2.86 H new ATOM 0 HG3 GLU A 173 -13.821 9.069 -17.245 1.00 2.86 H new ATOM 2667 N LEU A 174 -8.950 9.804 -17.081 1.00 2.83 N ATOM 2668 CA LEU A 174 -7.612 10.330 -16.803 1.00 3.69 C ATOM 2669 C LEU A 174 -6.996 10.905 -18.073 1.00 3.89 C ATOM 2670 O LEU A 174 -6.388 11.972 -18.061 1.00 4.73 O ATOM 2671 CB LEU A 174 -6.693 9.238 -16.245 1.00 4.31 C ATOM 2672 CG LEU A 174 -5.254 9.686 -15.969 1.00 4.98 C ATOM 2673 CD1 LEU A 174 -5.212 10.702 -14.837 1.00 5.48 C ATOM 2674 CD2 LEU A 174 -4.370 8.491 -15.652 1.00 5.72 C ATOM 0 H LEU A 174 -9.078 8.823 -16.833 1.00 2.83 H new ATOM 0 HA LEU A 174 -7.714 11.117 -16.056 1.00 3.69 H new ATOM 0 HB2 LEU A 174 -7.124 8.859 -15.319 1.00 4.31 H new ATOM 0 HB3 LEU A 174 -6.671 8.407 -16.950 1.00 4.31 H new ATOM 0 HG LEU A 174 -4.869 10.165 -16.869 1.00 4.98 H new ATOM 0 HD11 LEU A 174 -4.180 11.006 -14.659 1.00 5.48 H new ATOM 0 HD12 LEU A 174 -5.805 11.575 -15.109 1.00 5.48 H new ATOM 0 HD13 LEU A 174 -5.620 10.254 -13.931 1.00 5.48 H new ATOM 0 HD21 LEU A 174 -3.353 8.832 -15.459 1.00 5.72 H new ATOM 0 HD22 LEU A 174 -4.754 7.978 -14.770 1.00 5.72 H new ATOM 0 HD23 LEU A 174 -4.368 7.805 -16.499 1.00 5.72 H new ATOM 2686 N LYS A 175 -7.184 10.191 -19.176 1.00 3.42 N ATOM 2687 CA LYS A 175 -6.620 10.590 -20.453 1.00 3.88 C ATOM 2688 C LYS A 175 -7.628 11.383 -21.286 1.00 4.00 C ATOM 2689 O LYS A 175 -7.664 11.270 -22.512 1.00 4.36 O ATOM 2690 CB LYS A 175 -6.120 9.367 -21.236 1.00 4.27 C ATOM 2691 CG LYS A 175 -7.045 8.155 -21.186 1.00 4.29 C ATOM 2692 CD LYS A 175 -6.779 7.289 -19.960 1.00 4.24 C ATOM 2693 CE LYS A 175 -7.601 6.008 -19.984 1.00 4.99 C ATOM 2694 NZ LYS A 175 -7.180 5.092 -21.075 1.00 5.49 N ATOM 0 H LYS A 175 -7.727 9.328 -19.208 1.00 3.42 H new ATOM 0 HA LYS A 175 -5.770 11.241 -20.247 1.00 3.88 H new ATOM 0 HB2 LYS A 175 -5.976 9.654 -22.278 1.00 4.27 H new ATOM 0 HB3 LYS A 175 -5.144 9.078 -20.847 1.00 4.27 H new ATOM 0 HG2 LYS A 175 -8.082 8.490 -21.176 1.00 4.29 H new ATOM 0 HG3 LYS A 175 -6.911 7.558 -22.088 1.00 4.29 H new ATOM 0 HD2 LYS A 175 -5.719 7.040 -19.914 1.00 4.24 H new ATOM 0 HD3 LYS A 175 -7.013 7.854 -19.058 1.00 4.24 H new ATOM 0 HE2 LYS A 175 -7.504 5.498 -19.026 1.00 4.99 H new ATOM 0 HE3 LYS A 175 -8.655 6.257 -20.107 1.00 4.99 H new ATOM 0 HZ1 LYS A 175 -7.604 4.154 -20.924 1.00 5.49 H new ATOM 0 HZ2 LYS A 175 -7.497 5.472 -21.989 1.00 5.49 H new ATOM 0 HZ3 LYS A 175 -6.143 5.007 -21.076 1.00 5.49 H new ATOM 2708 N ALA A 176 -8.459 12.168 -20.610 1.00 4.26 N ATOM 2709 CA ALA A 176 -9.341 13.104 -21.290 1.00 4.89 C ATOM 2710 C ALA A 176 -8.644 14.453 -21.415 1.00 5.36 C ATOM 2711 O ALA A 176 -8.934 15.246 -22.312 1.00 5.78 O ATOM 2712 CB ALA A 176 -10.662 13.247 -20.545 1.00 5.48 C ATOM 0 H ALA A 176 -8.539 12.174 -19.593 1.00 4.26 H new ATOM 0 HA ALA A 176 -9.565 12.721 -22.286 1.00 4.89 H new ATOM 0 HB1 ALA A 176 -11.303 13.952 -21.074 1.00 5.48 H new ATOM 0 HB2 ALA A 176 -11.156 12.277 -20.491 1.00 5.48 H new ATOM 0 HB3 ALA A 176 -10.473 13.614 -19.536 1.00 5.48 H new ATOM 2718 N ASN A 177 -7.718 14.692 -20.498 1.00 5.66 N ATOM 2719 CA ASN A 177 -6.880 15.883 -20.528 1.00 6.40 C ATOM 2720 C ASN A 177 -5.431 15.467 -20.772 1.00 6.79 C ATOM 2721 O ASN A 177 -4.714 15.126 -19.833 1.00 6.94 O ATOM 2722 CB ASN A 177 -7.009 16.648 -19.201 1.00 6.79 C ATOM 2723 CG ASN A 177 -6.287 17.989 -19.197 1.00 7.41 C ATOM 2724 OD1 ASN A 177 -5.264 18.172 -19.853 1.00 7.72 O ATOM 2725 ND2 ASN A 177 -6.822 18.938 -18.445 1.00 7.88 N ATOM 0 H ASN A 177 -7.526 14.068 -19.714 1.00 5.66 H new ATOM 0 HA ASN A 177 -7.202 16.542 -21.334 1.00 6.40 H new ATOM 0 HB2 ASN A 177 -8.065 16.813 -18.988 1.00 6.79 H new ATOM 0 HB3 ASN A 177 -6.614 16.030 -18.395 1.00 6.79 H new ATOM 0 HD21 ASN A 177 -6.384 19.858 -18.397 1.00 7.88 H new ATOM 0 HD22 ASN A 177 -7.672 18.749 -17.914 1.00 7.88 H new ATOM 2732 N PRO A 178 -4.996 15.462 -22.041 1.00 7.29 N ATOM 2733 CA PRO A 178 -3.649 15.040 -22.426 1.00 8.00 C ATOM 2734 C PRO A 178 -2.610 16.120 -22.148 1.00 8.71 C ATOM 2735 O PRO A 178 -1.887 16.013 -21.138 1.00 9.19 O ATOM 2736 CB PRO A 178 -3.761 14.779 -23.939 1.00 8.54 C ATOM 2737 CG PRO A 178 -5.201 14.995 -24.291 1.00 8.16 C ATOM 2738 CD PRO A 178 -5.776 15.861 -23.210 1.00 7.54 C ATOM 2739 OXT PRO A 178 -2.531 17.089 -22.935 1.00 9.00 O ATOM 0 HA PRO A 178 -3.321 14.168 -21.860 1.00 8.00 H new ATOM 0 HB2 PRO A 178 -3.117 15.456 -24.500 1.00 8.54 H new ATOM 0 HB3 PRO A 178 -3.448 13.764 -24.184 1.00 8.54 H new ATOM 0 HG2 PRO A 178 -5.295 15.476 -25.265 1.00 8.16 H new ATOM 0 HG3 PRO A 178 -5.733 14.045 -24.352 1.00 8.16 H new ATOM 0 HD2 PRO A 178 -5.659 16.921 -23.434 1.00 7.54 H new ATOM 0 HD3 PRO A 178 -6.842 15.680 -23.068 1.00 7.54 H new TER 2747 PRO A 178 HETATM 2748 PB GDP A 179 -8.190 -3.174 15.565 1.00 0.68 P HETATM 2749 O1B GDP A 179 -8.837 -2.575 14.360 1.00 1.61 O HETATM 2750 O2B GDP A 179 -6.675 -3.185 15.471 1.00 1.63 O HETATM 2751 O3B GDP A 179 -8.799 -4.499 16.050 1.00 1.65 O HETATM 2752 O3A GDP A 179 -8.501 -2.084 16.786 1.00 0.68 O HETATM 2753 PA GDP A 179 -8.858 -0.560 16.708 1.00 0.75 P HETATM 2754 O1A GDP A 179 -9.658 -0.135 17.886 1.00 0.87 O HETATM 2755 O2A GDP A 179 -9.353 -0.160 15.335 1.00 0.88 O HETATM 2756 O5' GDP A 179 -7.402 0.104 16.830 1.00 0.69 O HETATM 2757 C5' GDP A 179 -6.662 0.027 18.048 1.00 0.65 C HETATM 2758 C4' GDP A 179 -6.090 1.377 18.412 1.00 0.66 C HETATM 2759 O4' GDP A 179 -5.662 2.051 17.200 1.00 0.63 O HETATM 2760 C3' GDP A 179 -7.060 2.335 19.101 1.00 0.75 C HETATM 2761 O3' GDP A 179 -6.614 2.651 20.413 1.00 0.96 O HETATM 2762 C2' GDP A 179 -7.103 3.588 18.222 1.00 0.75 C HETATM 2763 O2' GDP A 179 -7.010 4.772 18.992 1.00 0.95 O HETATM 2764 C1' GDP A 179 -5.841 3.437 17.381 1.00 0.62 C HETATM 2765 N9 GDP A 179 -5.928 4.070 16.067 1.00 0.55 N HETATM 2766 C8 GDP A 179 -6.649 3.621 14.990 1.00 0.62 C HETATM 2767 N7 GDP A 179 -6.537 4.385 13.938 1.00 0.61 N HETATM 2768 C5 GDP A 179 -5.686 5.404 14.346 1.00 0.49 C HETATM 2769 C6 GDP A 179 -5.198 6.530 13.634 1.00 0.45 C HETATM 2770 O6 GDP A 179 -5.420 6.856 12.459 1.00 0.55 O HETATM 2771 N1 GDP A 179 -4.358 7.315 14.415 1.00 0.37 N HETATM 2772 C2 GDP A 179 -4.040 7.047 15.729 1.00 0.40 C HETATM 2773 N2 GDP A 179 -3.228 7.931 16.331 1.00 0.46 N HETATM 2774 N3 GDP A 179 -4.487 6.002 16.405 1.00 0.45 N HETATM 2775 C4 GDP A 179 -5.304 5.227 15.658 1.00 0.46 C HETATM 0 HO3' GDP A 179 -6.667 3.620 20.552 1.00 0.96 H new HETATM 0 HO2' GDP A 179 -7.039 5.551 18.399 1.00 0.95 H new HETATM 0 HN22 GDP A 179 -2.954 7.792 17.303 1.00 0.46 H new HETATM 0 HN21 GDP A 179 -2.886 8.742 15.816 1.00 0.46 H new HETATM 0 H5'' GDP A 179 -7.309 -0.328 18.850 1.00 0.65 H new HETATM 0 HN1 GDP A 179 -3.949 8.146 13.987 1.00 0.37 H new HETATM 0 H8 GDP A 179 -7.256 2.716 15.011 1.00 0.62 H new HETATM 0 H5' GDP A 179 -5.856 -0.699 17.944 1.00 0.65 H new HETATM 0 H4' GDP A 179 -5.285 1.155 19.112 1.00 0.66 H new HETATM 0 H3' GDP A 179 -8.049 1.891 19.211 1.00 0.75 H new HETATM 0 H2' GDP A 179 -8.029 3.669 17.653 1.00 0.75 H new HETATM 0 H1' GDP A 179 -5.016 3.927 17.898 1.00 0.62 H new