USER MOD reduce.3.24.130724 H: found=0, std=0, add=1384, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1382 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 HIS : no HD1:sc= -2.92! C(o=-3.1!,f=-7.2!) USER MOD Set 1.2: A 96 THR OG1 : rot -80:sc= -0.136 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=-0.00477 USER MOD Set 3.1: A 49 GLN : amide:sc=-0.00376 K(o=-0.0038,f=-1.4) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 16 HIS : no HD1:sc= -2.25! C(o=-3.9!,f=-9.9!) USER MOD Set 4.2: A 93 MET CE :methyl -109:sc= -1.66 (180deg=-4.01!) 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 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -157:sc= -0.0124 (180deg=-1.03) USER MOD Single : A 12 THR OG1 : rot -28:sc= 0.531 USER MOD Single : A 14 MET CE :methyl -143:sc= -2.54! (180deg=-3.06!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.89 USER MOD Single : A 23 THR OG1 : rot 35:sc= 0.177 USER MOD Single : A 30 HIS :FLIP no HE2:sc= 0.297 F(o=-1,f=0.3) USER MOD Single : A 31 SER OG : rot -40:sc= 0.551 USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= -0.0155 (180deg=-0.176) USER MOD Single : A 34 THR OG1 : rot -99:sc= 0.18 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 42 THR OG1 : rot 120:sc= 0.0148 USER MOD Single : A 43 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.27) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 102:sc= -0.199 USER MOD Single : A 51 THR OG1 : rot 69:sc= 0.223 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.0253 F(o=-1,f=-0.025) USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= 1.28 (180deg=0.994) USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0166) USER MOD Single : A 62 THR OG1 : rot -115:sc= 1.23 USER MOD Single : A 65 HIS : no HD1:sc= -0.501 K(o=-0.5,f=-1.4) USER MOD Single : A 71 MET CE :methyl 180:sc= -2.36 (180deg=-2.36) USER MOD Single : A 77 GLN : amide:sc= -0.414 K(o=-0.41,f=-3.8!) USER MOD Single : A 79 THR OG1 : rot -106:sc= 0.93 USER MOD Single : A 95 GLN : amide:sc= -0.406 K(o=-0.41,f=-2!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -1.92! C(o=-1.9!,f=-7.3!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 115 ASN : amide:sc= 0.593 K(o=0.59,f=-2.7!) USER MOD Single : A 116 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0208) USER MOD Single : A 117 MET CE :methyl -119:sc= -3.46 (180deg=-8.41!) USER MOD Single : A 119 LYS NZ :NH3+ -162:sc= -1.78! (180deg=-2.59!) USER MOD Single : A 123 ASN : amide:sc= -0.439 K(o=-0.44,f=-3.4!) USER MOD Single : A 128 MET CE :methyl -150:sc= -1.66 (180deg=-3.15!) USER MOD Single : A 129 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.014) USER MOD Single : A 132 MET CE :methyl 163:sc= -2.57! (180deg=-5.14!) USER MOD Single : A 134 TYR OH : rot 150:sc= 0 USER MOD Single : A 135 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 145 THR OG1 : rot -60:sc= -2.56! USER MOD Single : A 148 CYS SG : rot 130:sc= 0 USER MOD Single : A 149 LYS NZ :NH3+ -165:sc= -0.025 (180deg=-0.251) USER MOD Single : A 151 SER OG : rot -121:sc= 1.75 USER MOD Single : A 153 LYS NZ :NH3+ -146:sc= 1.27 (180deg=1.09) USER MOD Single : A 154 THR OG1 : rot 145:sc= 0.136 USER MOD Single : A 155 LYS NZ :NH3+ 153:sc= -1.89! (180deg=-4.07!) USER MOD Single : A 160 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 164 MET CE :methyl -160:sc= -3.65! (180deg=-5.08!) USER MOD Single : A 169 SER OG : rot -140:sc= -0.418 USER MOD Single : A 171 MET CE :methyl -162:sc= -2.12 (180deg=-2.57!) USER MOD Single : A 175 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 ASN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.386 0.823 -27.416 1.00 16.35 N ATOM 2 CA GLY A 1 -29.948 0.712 -26.006 1.00 15.80 C ATOM 3 C GLY A 1 -28.478 1.029 -25.833 1.00 15.04 C ATOM 4 O GLY A 1 -27.616 0.227 -26.200 1.00 14.90 O ATOM 0 H1 GLY A 1 -31.399 0.597 -27.484 1.00 16.35 H new ATOM 0 H2 GLY A 1 -30.225 1.793 -27.754 1.00 16.35 H new ATOM 0 H3 GLY A 1 -29.843 0.157 -28.002 1.00 16.35 H new ATOM 0 HA2 GLY A 1 -30.538 1.391 -25.390 1.00 15.80 H new ATOM 0 HA3 GLY A 1 -30.144 -0.298 -25.646 1.00 15.80 H new ATOM 10 N SER A 2 -28.192 2.204 -25.290 1.00 14.69 N ATOM 11 CA SER A 2 -26.823 2.618 -25.015 1.00 14.11 C ATOM 12 C SER A 2 -26.189 1.702 -23.970 1.00 13.37 C ATOM 13 O SER A 2 -26.788 1.430 -22.930 1.00 13.12 O ATOM 14 CB SER A 2 -26.812 4.063 -24.515 1.00 14.38 C ATOM 15 OG SER A 2 -27.518 4.915 -25.402 1.00 14.60 O ATOM 0 H SER A 2 -28.897 2.893 -25.029 1.00 14.69 H new ATOM 0 HA SER A 2 -26.243 2.550 -25.936 1.00 14.11 H new ATOM 0 HB2 SER A 2 -27.262 4.112 -23.524 1.00 14.38 H new ATOM 0 HB3 SER A 2 -25.783 4.409 -24.415 1.00 14.38 H new ATOM 0 HG SER A 2 -27.498 5.833 -25.059 1.00 14.60 H new ATOM 21 N HIS A 3 -24.987 1.217 -24.246 1.00 13.19 N ATOM 22 CA HIS A 3 -24.299 0.331 -23.311 1.00 12.67 C ATOM 23 C HIS A 3 -23.179 1.062 -22.584 1.00 11.99 C ATOM 24 O HIS A 3 -22.370 0.449 -21.891 1.00 12.05 O ATOM 25 CB HIS A 3 -23.739 -0.903 -24.024 1.00 13.18 C ATOM 26 CG HIS A 3 -24.792 -1.869 -24.472 1.00 13.68 C ATOM 27 ND1 HIS A 3 -25.322 -2.841 -23.649 1.00 14.14 N ATOM 28 CD2 HIS A 3 -25.413 -2.012 -25.665 1.00 13.99 C ATOM 29 CE1 HIS A 3 -26.220 -3.537 -24.318 1.00 14.68 C ATOM 30 NE2 HIS A 3 -26.296 -3.055 -25.543 1.00 14.60 N ATOM 0 H HIS A 3 -24.469 1.418 -25.102 1.00 13.19 H new ATOM 0 HA HIS A 3 -25.035 0.003 -22.577 1.00 12.67 H new ATOM 0 HB2 HIS A 3 -23.162 -0.580 -24.891 1.00 13.18 H new ATOM 0 HB3 HIS A 3 -23.049 -1.416 -23.355 1.00 13.18 H new ATOM 0 HD2 HIS A 3 -25.245 -1.416 -26.550 1.00 13.99 H new ATOM 0 HE1 HIS A 3 -26.796 -4.363 -23.928 1.00 14.68 H new ATOM 0 HE2 HIS A 3 -26.911 -3.401 -26.280 1.00 14.60 H new ATOM 39 N MET A 4 -23.141 2.377 -22.744 1.00 11.52 N ATOM 40 CA MET A 4 -22.154 3.193 -22.056 1.00 11.00 C ATOM 41 C MET A 4 -22.611 3.483 -20.632 1.00 10.19 C ATOM 42 O MET A 4 -23.399 4.398 -20.391 1.00 10.08 O ATOM 43 CB MET A 4 -21.903 4.501 -22.810 1.00 11.26 C ATOM 44 CG MET A 4 -20.922 5.426 -22.105 1.00 11.60 C ATOM 45 SD MET A 4 -19.311 4.661 -21.830 1.00 12.31 S ATOM 46 CE MET A 4 -18.491 5.928 -20.866 1.00 12.73 C ATOM 0 H MET A 4 -23.781 2.899 -23.343 1.00 11.52 H new ATOM 0 HA MET A 4 -21.217 2.637 -22.020 1.00 11.00 H new ATOM 0 HB2 MET A 4 -21.523 4.271 -23.805 1.00 11.26 H new ATOM 0 HB3 MET A 4 -22.851 5.022 -22.944 1.00 11.26 H new ATOM 0 HG2 MET A 4 -20.792 6.331 -22.699 1.00 11.60 H new ATOM 0 HG3 MET A 4 -21.342 5.731 -21.147 1.00 11.60 H new ATOM 0 HE1 MET A 4 -17.411 5.815 -20.960 1.00 12.73 H new ATOM 0 HE2 MET A 4 -18.786 6.912 -21.232 1.00 12.73 H new ATOM 0 HE3 MET A 4 -18.776 5.830 -19.819 1.00 12.73 H new ATOM 56 N VAL A 5 -22.129 2.680 -19.697 1.00 9.82 N ATOM 57 CA VAL A 5 -22.440 2.871 -18.291 1.00 9.21 C ATOM 58 C VAL A 5 -21.504 3.905 -17.661 1.00 8.39 C ATOM 59 O VAL A 5 -20.413 3.581 -17.188 1.00 8.39 O ATOM 60 CB VAL A 5 -22.378 1.540 -17.504 1.00 9.62 C ATOM 61 CG1 VAL A 5 -23.597 0.685 -17.814 1.00 10.18 C ATOM 62 CG2 VAL A 5 -21.104 0.767 -17.825 1.00 10.12 C ATOM 0 H VAL A 5 -21.518 1.886 -19.889 1.00 9.82 H new ATOM 0 HA VAL A 5 -23.463 3.244 -18.235 1.00 9.21 H new ATOM 0 HB VAL A 5 -22.371 1.781 -16.441 1.00 9.62 H new ATOM 0 HG11 VAL A 5 -23.539 -0.248 -17.253 1.00 10.18 H new ATOM 0 HG12 VAL A 5 -24.501 1.224 -17.530 1.00 10.18 H new ATOM 0 HG13 VAL A 5 -23.626 0.466 -18.881 1.00 10.18 H new ATOM 0 HG21 VAL A 5 -21.090 -0.163 -17.257 1.00 10.12 H new ATOM 0 HG22 VAL A 5 -21.074 0.541 -18.891 1.00 10.12 H new ATOM 0 HG23 VAL A 5 -20.236 1.369 -17.557 1.00 10.12 H new ATOM 72 N GLU A 6 -21.941 5.156 -17.663 1.00 7.91 N ATOM 73 CA GLU A 6 -21.151 6.242 -17.103 1.00 7.32 C ATOM 74 C GLU A 6 -21.268 6.243 -15.584 1.00 6.47 C ATOM 75 O GLU A 6 -22.047 6.998 -15.003 1.00 6.49 O ATOM 76 CB GLU A 6 -21.600 7.591 -17.675 1.00 7.80 C ATOM 77 CG GLU A 6 -21.472 7.681 -19.186 1.00 8.31 C ATOM 78 CD GLU A 6 -21.813 9.054 -19.723 1.00 8.82 C ATOM 79 OE1 GLU A 6 -23.015 9.383 -19.815 1.00 9.14 O ATOM 80 OE2 GLU A 6 -20.881 9.818 -20.054 1.00 9.12 O ATOM 0 H GLU A 6 -22.841 5.444 -18.047 1.00 7.91 H new ATOM 0 HA GLU A 6 -20.107 6.088 -17.376 1.00 7.32 H new ATOM 0 HB2 GLU A 6 -22.638 7.768 -17.395 1.00 7.80 H new ATOM 0 HB3 GLU A 6 -21.008 8.385 -17.220 1.00 7.80 H new ATOM 0 HG2 GLU A 6 -20.453 7.426 -19.475 1.00 8.31 H new ATOM 0 HG3 GLU A 6 -22.129 6.943 -19.646 1.00 8.31 H new ATOM 87 N ARG A 7 -20.523 5.354 -14.951 1.00 5.97 N ATOM 88 CA ARG A 7 -20.524 5.235 -13.504 1.00 5.27 C ATOM 89 C ARG A 7 -19.231 5.797 -12.930 1.00 4.71 C ATOM 90 O ARG A 7 -18.155 5.571 -13.486 1.00 4.95 O ATOM 91 CB ARG A 7 -20.670 3.768 -13.087 1.00 5.61 C ATOM 92 CG ARG A 7 -21.953 3.092 -13.561 1.00 5.93 C ATOM 93 CD ARG A 7 -23.199 3.745 -12.975 1.00 6.48 C ATOM 94 NE ARG A 7 -23.613 4.937 -13.718 1.00 6.96 N ATOM 95 CZ ARG A 7 -24.884 5.304 -13.880 1.00 7.68 C ATOM 96 NH1 ARG A 7 -25.856 4.624 -13.284 1.00 7.98 N ATOM 97 NH2 ARG A 7 -25.177 6.365 -14.617 1.00 8.35 N ATOM 0 H ARG A 7 -19.903 4.697 -15.424 1.00 5.97 H new ATOM 0 HA ARG A 7 -21.370 5.802 -13.115 1.00 5.27 H new ATOM 0 HB2 ARG A 7 -19.818 3.209 -13.473 1.00 5.61 H new ATOM 0 HB3 ARG A 7 -20.625 3.708 -12.000 1.00 5.61 H new ATOM 0 HG2 ARG A 7 -22.002 3.132 -14.649 1.00 5.93 H new ATOM 0 HG3 ARG A 7 -21.931 2.039 -13.281 1.00 5.93 H new ATOM 0 HD2 ARG A 7 -24.015 3.023 -12.971 1.00 6.48 H new ATOM 0 HD3 ARG A 7 -23.008 4.017 -11.937 1.00 6.48 H new ATOM 0 HE ARG A 7 -22.887 5.520 -14.135 1.00 6.96 H new ATOM 0 HH11 ARG A 7 -25.631 3.818 -12.700 1.00 7.98 H new ATOM 0 HH12 ARG A 7 -26.828 4.907 -13.410 1.00 7.98 H new ATOM 0 HH21 ARG A 7 -24.430 6.900 -15.060 1.00 8.35 H new ATOM 0 HH22 ARG A 7 -26.149 6.647 -14.742 1.00 8.35 H new ATOM 111 N PRO A 8 -19.323 6.558 -11.832 1.00 4.27 N ATOM 112 CA PRO A 8 -18.144 7.056 -11.120 1.00 3.88 C ATOM 113 C PRO A 8 -17.352 5.913 -10.487 1.00 3.07 C ATOM 114 O PRO A 8 -17.927 5.054 -9.814 1.00 2.74 O ATOM 115 CB PRO A 8 -18.730 7.976 -10.043 1.00 4.13 C ATOM 116 CG PRO A 8 -20.138 7.521 -9.864 1.00 4.60 C ATOM 117 CD PRO A 8 -20.581 6.999 -11.201 1.00 4.51 C ATOM 0 HA PRO A 8 -17.443 7.567 -11.781 1.00 3.88 H new ATOM 0 HB2 PRO A 8 -18.170 7.898 -9.111 1.00 4.13 H new ATOM 0 HB3 PRO A 8 -18.690 9.020 -10.353 1.00 4.13 H new ATOM 0 HG2 PRO A 8 -20.203 6.745 -9.102 1.00 4.60 H new ATOM 0 HG3 PRO A 8 -20.774 8.343 -9.536 1.00 4.60 H new ATOM 0 HD2 PRO A 8 -21.288 6.176 -11.096 1.00 4.51 H new ATOM 0 HD3 PRO A 8 -21.076 7.771 -11.790 1.00 4.51 H new ATOM 125 N PRO A 9 -16.024 5.895 -10.710 1.00 3.13 N ATOM 126 CA PRO A 9 -15.130 4.839 -10.206 1.00 2.76 C ATOM 127 C PRO A 9 -15.265 4.616 -8.704 1.00 1.86 C ATOM 128 O PRO A 9 -15.411 5.573 -7.929 1.00 2.21 O ATOM 129 CB PRO A 9 -13.734 5.371 -10.540 1.00 3.66 C ATOM 130 CG PRO A 9 -13.946 6.274 -11.702 1.00 4.29 C ATOM 131 CD PRO A 9 -15.287 6.909 -11.485 1.00 4.00 C ATOM 0 HA PRO A 9 -15.358 3.872 -10.654 1.00 2.76 H new ATOM 0 HB2 PRO A 9 -13.301 5.907 -9.695 1.00 3.66 H new ATOM 0 HB3 PRO A 9 -13.049 4.560 -10.788 1.00 3.66 H new ATOM 0 HG2 PRO A 9 -13.161 7.028 -11.760 1.00 4.29 H new ATOM 0 HG3 PRO A 9 -13.924 5.718 -12.639 1.00 4.29 H new ATOM 0 HD2 PRO A 9 -15.203 7.849 -10.939 1.00 4.00 H new ATOM 0 HD3 PRO A 9 -15.783 7.132 -12.429 1.00 4.00 H new ATOM 139 N VAL A 10 -15.213 3.356 -8.293 1.00 1.31 N ATOM 140 CA VAL A 10 -15.378 3.012 -6.894 1.00 1.04 C ATOM 141 C VAL A 10 -14.076 2.481 -6.324 1.00 0.88 C ATOM 142 O VAL A 10 -13.620 1.393 -6.678 1.00 1.10 O ATOM 143 CB VAL A 10 -16.489 1.970 -6.669 1.00 1.75 C ATOM 144 CG1 VAL A 10 -16.767 1.804 -5.183 1.00 2.58 C ATOM 145 CG2 VAL A 10 -17.756 2.367 -7.407 1.00 2.47 C ATOM 0 H VAL A 10 -15.058 2.559 -8.910 1.00 1.31 H new ATOM 0 HA VAL A 10 -15.669 3.928 -6.380 1.00 1.04 H new ATOM 0 HB VAL A 10 -16.148 1.014 -7.067 1.00 1.75 H new ATOM 0 HG11 VAL A 10 -17.555 1.064 -5.041 1.00 2.58 H new ATOM 0 HG12 VAL A 10 -15.860 1.470 -4.678 1.00 2.58 H new ATOM 0 HG13 VAL A 10 -17.086 2.758 -4.764 1.00 2.58 H new ATOM 0 HG21 VAL A 10 -18.528 1.617 -7.234 1.00 2.47 H new ATOM 0 HG22 VAL A 10 -18.102 3.334 -7.042 1.00 2.47 H new ATOM 0 HG23 VAL A 10 -17.549 2.435 -8.475 1.00 2.47 H new ATOM 155 N VAL A 11 -13.487 3.259 -5.442 1.00 0.67 N ATOM 156 CA VAL A 11 -12.220 2.933 -4.852 1.00 0.60 C ATOM 157 C VAL A 11 -12.396 1.970 -3.675 1.00 0.56 C ATOM 158 O VAL A 11 -12.836 2.360 -2.593 1.00 0.74 O ATOM 159 CB VAL A 11 -11.525 4.228 -4.398 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.182 3.927 -3.797 1.00 1.00 C ATOM 161 CG2 VAL A 11 -11.386 5.198 -5.567 1.00 0.98 C ATOM 0 H VAL A 11 -13.882 4.141 -5.116 1.00 0.67 H new ATOM 0 HA VAL A 11 -11.599 2.432 -5.595 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.142 4.698 -3.633 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -9.707 4.857 -3.483 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -10.308 3.274 -2.934 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -9.554 3.432 -4.538 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -10.892 6.109 -5.228 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -10.792 4.735 -6.355 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -12.374 5.444 -5.955 1.00 0.98 H new ATOM 171 N THR A 12 -12.070 0.707 -3.915 1.00 0.46 N ATOM 172 CA THR A 12 -12.172 -0.335 -2.899 1.00 0.45 C ATOM 173 C THR A 12 -10.905 -0.388 -2.049 1.00 0.39 C ATOM 174 O THR A 12 -9.798 -0.469 -2.583 1.00 0.43 O ATOM 175 CB THR A 12 -12.427 -1.704 -3.566 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.705 -1.682 -4.213 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.383 -2.842 -2.557 1.00 0.62 C ATOM 0 H THR A 12 -11.728 0.375 -4.817 1.00 0.46 H new ATOM 0 HA THR A 12 -13.012 -0.098 -2.246 1.00 0.45 H new ATOM 0 HB THR A 12 -11.636 -1.879 -4.295 1.00 0.55 H new ATOM 0 HG1 THR A 12 -14.295 -1.050 -3.751 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.567 -3.788 -3.067 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.402 -2.870 -2.083 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.148 -2.684 -1.797 1.00 0.62 H new ATOM 185 N ILE A 13 -11.071 -0.342 -0.732 1.00 0.39 N ATOM 186 CA ILE A 13 -9.934 -0.261 0.181 1.00 0.38 C ATOM 187 C ILE A 13 -9.458 -1.643 0.605 1.00 0.37 C ATOM 188 O ILE A 13 -10.219 -2.427 1.173 1.00 0.51 O ATOM 189 CB ILE A 13 -10.281 0.536 1.451 1.00 0.50 C ATOM 190 CG1 ILE A 13 -10.878 1.894 1.083 1.00 0.86 C ATOM 191 CG2 ILE A 13 -9.042 0.716 2.318 1.00 0.80 C ATOM 192 CD1 ILE A 13 -11.180 2.757 2.281 1.00 1.03 C ATOM 0 H ILE A 13 -11.981 -0.359 -0.272 1.00 0.39 H new ATOM 0 HA ILE A 13 -9.142 0.249 -0.367 1.00 0.38 H new ATOM 0 HB ILE A 13 -11.024 -0.024 2.020 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -10.185 2.423 0.429 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -11.796 1.738 0.516 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -9.303 1.281 3.213 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.655 -0.261 2.607 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -8.280 1.257 1.756 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -11.601 3.706 1.949 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -11.897 2.247 2.925 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -10.261 2.943 2.837 1.00 1.03 H new ATOM 204 N MET A 14 -8.191 -1.924 0.354 1.00 0.31 N ATOM 205 CA MET A 14 -7.600 -3.204 0.739 1.00 0.35 C ATOM 206 C MET A 14 -6.208 -2.998 1.320 1.00 0.29 C ATOM 207 O MET A 14 -5.678 -1.891 1.310 1.00 0.46 O ATOM 208 CB MET A 14 -7.517 -4.171 -0.451 1.00 0.56 C ATOM 209 CG MET A 14 -8.862 -4.696 -0.938 1.00 0.75 C ATOM 210 SD MET A 14 -8.695 -5.868 -2.307 1.00 1.04 S ATOM 211 CE MET A 14 -10.369 -6.499 -2.440 1.00 0.77 C ATOM 0 H MET A 14 -7.548 -1.286 -0.115 1.00 0.31 H new ATOM 0 HA MET A 14 -8.250 -3.643 1.496 1.00 0.35 H new ATOM 0 HB2 MET A 14 -7.018 -3.666 -1.278 1.00 0.56 H new ATOM 0 HB3 MET A 14 -6.891 -5.018 -0.171 1.00 0.56 H new ATOM 0 HG2 MET A 14 -9.380 -5.181 -0.111 1.00 0.75 H new ATOM 0 HG3 MET A 14 -9.482 -3.858 -1.255 1.00 0.75 H new ATOM 0 HE1 MET A 14 -10.339 -7.560 -2.686 1.00 0.77 H new ATOM 0 HE2 MET A 14 -10.886 -6.361 -1.491 1.00 0.77 H new ATOM 0 HE3 MET A 14 -10.900 -5.959 -3.224 1.00 0.77 H new ATOM 221 N GLY A 15 -5.641 -4.064 1.857 1.00 0.34 N ATOM 222 CA GLY A 15 -4.292 -4.038 2.354 1.00 0.45 C ATOM 223 C GLY A 15 -4.141 -5.016 3.489 1.00 0.62 C ATOM 224 O GLY A 15 -4.126 -6.224 3.285 1.00 1.55 O ATOM 0 H GLY A 15 -6.108 -4.965 1.957 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.596 -4.288 1.553 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -4.040 -3.033 2.693 1.00 0.45 H new ATOM 228 N HIS A 16 -4.090 -4.481 4.684 1.00 0.51 N ATOM 229 CA HIS A 16 -3.999 -5.269 5.901 1.00 0.45 C ATOM 230 C HIS A 16 -4.281 -4.375 7.109 1.00 0.49 C ATOM 231 O HIS A 16 -4.161 -3.153 7.013 1.00 0.64 O ATOM 232 CB HIS A 16 -2.614 -5.928 6.005 1.00 0.43 C ATOM 233 CG HIS A 16 -2.330 -6.562 7.334 1.00 0.48 C ATOM 234 ND1 HIS A 16 -3.020 -7.668 7.761 1.00 0.62 N ATOM 235 CD2 HIS A 16 -1.457 -6.190 8.300 1.00 0.50 C ATOM 236 CE1 HIS A 16 -2.562 -7.938 8.970 1.00 0.66 C ATOM 237 NE2 HIS A 16 -1.613 -7.069 9.341 1.00 0.59 N ATOM 0 H HIS A 16 -4.110 -3.474 4.847 1.00 0.51 H new ATOM 0 HA HIS A 16 -4.744 -6.065 5.878 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.526 -6.687 5.228 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -1.851 -5.176 5.804 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -0.769 -5.359 8.259 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -2.909 -8.757 9.583 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -1.105 -7.062 10.226 1.00 0.59 H new ATOM 245 N VAL A 17 -4.666 -4.977 8.228 1.00 0.53 N ATOM 246 CA VAL A 17 -5.048 -4.225 9.421 1.00 0.67 C ATOM 247 C VAL A 17 -3.914 -3.319 9.907 1.00 0.64 C ATOM 248 O VAL A 17 -4.066 -2.095 9.948 1.00 0.78 O ATOM 249 CB VAL A 17 -5.462 -5.171 10.566 1.00 0.87 C ATOM 250 CG1 VAL A 17 -6.009 -4.383 11.746 1.00 1.55 C ATOM 251 CG2 VAL A 17 -6.481 -6.189 10.077 1.00 1.62 C ATOM 0 H VAL A 17 -4.723 -5.990 8.336 1.00 0.53 H new ATOM 0 HA VAL A 17 -5.898 -3.604 9.139 1.00 0.67 H new ATOM 0 HB VAL A 17 -4.576 -5.710 10.902 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -6.295 -5.071 12.542 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -5.243 -3.700 12.114 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -6.882 -3.812 11.429 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -6.761 -6.848 10.899 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -7.367 -5.670 9.710 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -6.047 -6.780 9.271 1.00 1.62 H new ATOM 261 N ASP A 18 -2.776 -3.929 10.236 1.00 0.57 N ATOM 262 CA ASP A 18 -1.636 -3.213 10.823 1.00 0.61 C ATOM 263 C ASP A 18 -1.078 -2.150 9.885 1.00 0.56 C ATOM 264 O ASP A 18 -0.416 -1.213 10.329 1.00 0.69 O ATOM 265 CB ASP A 18 -0.517 -4.188 11.190 1.00 0.69 C ATOM 266 CG ASP A 18 -0.936 -5.189 12.239 1.00 1.06 C ATOM 267 OD1 ASP A 18 -1.493 -6.239 11.870 1.00 1.78 O ATOM 268 OD2 ASP A 18 -0.717 -4.927 13.442 1.00 1.17 O ATOM 0 H ASP A 18 -2.615 -4.928 10.105 1.00 0.57 H new ATOM 0 HA ASP A 18 -2.008 -2.718 11.720 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -0.196 -4.720 10.294 1.00 0.69 H new ATOM 0 HB3 ASP A 18 0.344 -3.626 11.553 1.00 0.69 H new ATOM 273 N HIS A 19 -1.336 -2.297 8.593 1.00 0.46 N ATOM 274 CA HIS A 19 -0.869 -1.332 7.613 1.00 0.48 C ATOM 275 C HIS A 19 -1.644 -0.023 7.738 1.00 0.58 C ATOM 276 O HIS A 19 -1.204 1.023 7.264 1.00 0.65 O ATOM 277 CB HIS A 19 -0.985 -1.909 6.203 1.00 0.46 C ATOM 278 CG HIS A 19 0.030 -2.974 5.905 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.111 -3.821 4.834 1.00 0.60 N ATOM 280 CD2 HIS A 19 1.195 -3.260 6.541 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.962 -4.592 4.838 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.780 -4.291 5.852 1.00 0.48 N ATOM 0 H HIS A 19 -1.866 -3.075 8.201 1.00 0.46 H new ATOM 0 HA HIS A 19 0.182 -1.118 7.806 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -1.984 -2.324 6.070 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.876 -1.102 5.479 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.586 -2.770 7.420 1.00 0.56 H new ATOM 0 HE1 HIS A 19 1.154 -5.369 4.113 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.668 -4.742 6.071 1.00 0.48 H new ATOM 290 N GLY A 20 -2.797 -0.093 8.393 1.00 0.76 N ATOM 291 CA GLY A 20 -3.551 1.102 8.700 1.00 0.90 C ATOM 292 C GLY A 20 -4.645 1.400 7.700 1.00 0.81 C ATOM 293 O GLY A 20 -4.872 2.557 7.358 1.00 0.93 O ATOM 0 H GLY A 20 -3.222 -0.962 8.717 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -3.994 0.998 9.690 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -2.869 1.951 8.744 1.00 0.90 H new ATOM 297 N LYS A 21 -5.352 0.374 7.242 1.00 0.79 N ATOM 298 CA LYS A 21 -6.428 0.591 6.282 1.00 0.87 C ATOM 299 C LYS A 21 -7.671 1.143 6.971 1.00 0.89 C ATOM 300 O LYS A 21 -8.470 1.848 6.360 1.00 0.93 O ATOM 301 CB LYS A 21 -6.759 -0.692 5.505 1.00 1.09 C ATOM 302 CG LYS A 21 -7.213 -1.876 6.358 1.00 1.20 C ATOM 303 CD LYS A 21 -8.715 -1.858 6.631 1.00 1.39 C ATOM 304 CE LYS A 21 -9.526 -1.898 5.341 1.00 1.73 C ATOM 305 NZ LYS A 21 -10.992 -1.894 5.596 1.00 2.11 N ATOM 0 H LYS A 21 -5.205 -0.598 7.513 1.00 0.79 H new ATOM 0 HA LYS A 21 -6.079 1.332 5.562 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -7.542 -0.466 4.781 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -5.877 -0.991 4.938 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -6.950 -2.805 5.853 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -6.675 -1.865 7.306 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -8.981 -2.712 7.254 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -8.971 -0.960 7.194 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -9.264 -1.039 4.723 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -9.260 -2.791 4.775 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -11.502 -1.922 4.690 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -11.248 -2.727 6.163 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -11.252 -1.030 6.113 1.00 2.11 H new ATOM 319 N THR A 22 -7.824 0.825 8.246 1.00 0.92 N ATOM 320 CA THR A 22 -8.967 1.295 9.006 1.00 1.00 C ATOM 321 C THR A 22 -8.723 2.719 9.494 1.00 0.99 C ATOM 322 O THR A 22 -9.652 3.520 9.606 1.00 1.03 O ATOM 323 CB THR A 22 -9.275 0.358 10.197 1.00 1.10 C ATOM 324 OG1 THR A 22 -10.387 0.850 10.955 1.00 1.80 O ATOM 325 CG2 THR A 22 -8.061 0.201 11.104 1.00 1.65 C ATOM 0 H THR A 22 -7.172 0.245 8.774 1.00 0.92 H new ATOM 0 HA THR A 22 -9.836 1.290 8.348 1.00 1.00 H new ATOM 0 HB THR A 22 -9.529 -0.620 9.788 1.00 1.10 H new ATOM 0 HG1 THR A 22 -10.567 0.243 11.703 1.00 1.80 H new ATOM 0 HG21 THR A 22 -8.309 -0.463 11.932 1.00 1.65 H new ATOM 0 HG22 THR A 22 -7.234 -0.222 10.534 1.00 1.65 H new ATOM 0 HG23 THR A 22 -7.771 1.176 11.496 1.00 1.65 H new ATOM 333 N THR A 23 -7.461 3.042 9.745 1.00 0.99 N ATOM 334 CA THR A 23 -7.083 4.386 10.126 1.00 1.02 C ATOM 335 C THR A 23 -6.972 5.272 8.894 1.00 0.96 C ATOM 336 O THR A 23 -6.980 6.495 8.999 1.00 0.96 O ATOM 337 CB THR A 23 -5.757 4.389 10.904 1.00 1.12 C ATOM 338 OG1 THR A 23 -4.859 3.430 10.333 1.00 1.77 O ATOM 339 CG2 THR A 23 -5.990 4.064 12.372 1.00 1.41 C ATOM 0 H THR A 23 -6.683 2.385 9.690 1.00 0.99 H new ATOM 0 HA THR A 23 -7.860 4.783 10.779 1.00 1.02 H new ATOM 0 HB THR A 23 -5.319 5.385 10.836 1.00 1.12 H new ATOM 0 HG1 THR A 23 -4.984 3.403 9.361 1.00 1.77 H new ATOM 0 HG21 THR A 23 -5.038 4.072 12.902 1.00 1.41 H new ATOM 0 HG22 THR A 23 -6.655 4.810 12.809 1.00 1.41 H new ATOM 0 HG23 THR A 23 -6.445 3.077 12.458 1.00 1.41 H new ATOM 347 N LEU A 24 -6.878 4.643 7.722 1.00 0.96 N ATOM 348 CA LEU A 24 -6.878 5.373 6.464 1.00 0.96 C ATOM 349 C LEU A 24 -8.234 6.044 6.285 1.00 0.89 C ATOM 350 O LEU A 24 -8.313 7.249 6.065 1.00 0.91 O ATOM 351 CB LEU A 24 -6.585 4.412 5.298 1.00 1.06 C ATOM 352 CG LEU A 24 -5.997 5.040 4.022 1.00 0.88 C ATOM 353 CD1 LEU A 24 -6.999 5.955 3.332 1.00 1.78 C ATOM 354 CD2 LEU A 24 -4.718 5.799 4.346 1.00 1.57 C ATOM 0 H LEU A 24 -6.801 3.631 7.623 1.00 0.96 H new ATOM 0 HA LEU A 24 -6.100 6.136 6.475 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -5.894 3.647 5.652 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.513 3.905 5.032 1.00 1.06 H new ATOM 0 HG LEU A 24 -5.763 4.229 3.332 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -6.547 6.379 2.435 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -7.884 5.382 3.056 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -7.284 6.759 4.010 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -4.314 6.237 3.433 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -4.936 6.590 5.063 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -3.987 5.113 4.774 1.00 1.57 H new ATOM 366 N LEU A 25 -9.293 5.253 6.425 1.00 0.88 N ATOM 367 CA LEU A 25 -10.661 5.753 6.300 1.00 0.91 C ATOM 368 C LEU A 25 -10.943 6.800 7.380 1.00 0.89 C ATOM 369 O LEU A 25 -11.615 7.794 7.136 1.00 0.92 O ATOM 370 CB LEU A 25 -11.640 4.582 6.434 1.00 1.02 C ATOM 371 CG LEU A 25 -12.969 4.738 5.684 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.724 3.416 5.651 1.00 1.76 C ATOM 373 CD2 LEU A 25 -13.837 5.816 6.317 1.00 1.96 C ATOM 0 H LEU A 25 -9.230 4.255 6.627 1.00 0.88 H new ATOM 0 HA LEU A 25 -10.786 6.222 5.324 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -11.147 3.677 6.078 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -11.856 4.432 7.492 1.00 1.02 H new ATOM 0 HG LEU A 25 -12.738 5.040 4.663 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -14.664 3.547 5.115 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -13.119 2.664 5.144 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -13.930 3.089 6.670 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -14.772 5.903 5.763 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -14.052 5.549 7.352 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -13.310 6.770 6.290 1.00 1.96 H new ATOM 385 N ASP A 26 -10.428 6.567 8.577 1.00 0.91 N ATOM 386 CA ASP A 26 -10.622 7.507 9.681 1.00 0.96 C ATOM 387 C ASP A 26 -9.863 8.813 9.441 1.00 0.92 C ATOM 388 O ASP A 26 -10.419 9.900 9.598 1.00 0.95 O ATOM 389 CB ASP A 26 -10.188 6.887 10.995 1.00 1.05 C ATOM 390 CG ASP A 26 -10.458 7.790 12.184 1.00 1.21 C ATOM 391 OD1 ASP A 26 -11.584 7.757 12.722 1.00 1.35 O ATOM 392 OD2 ASP A 26 -9.538 8.538 12.585 1.00 1.38 O ATOM 0 H ASP A 26 -9.876 5.743 8.813 1.00 0.91 H new ATOM 0 HA ASP A 26 -11.686 7.737 9.733 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -10.711 5.941 11.136 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -9.123 6.659 10.951 1.00 1.05 H new ATOM 397 N ALA A 27 -8.600 8.707 9.041 1.00 0.89 N ATOM 398 CA ALA A 27 -7.784 9.882 8.750 1.00 0.89 C ATOM 399 C ALA A 27 -8.342 10.645 7.558 1.00 0.85 C ATOM 400 O ALA A 27 -8.405 11.873 7.567 1.00 0.90 O ATOM 401 CB ALA A 27 -6.345 9.481 8.476 1.00 0.91 C ATOM 0 H ALA A 27 -8.118 7.818 8.911 1.00 0.89 H new ATOM 0 HA ALA A 27 -7.809 10.531 9.625 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -5.754 10.371 8.261 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -5.935 8.975 9.350 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.312 8.808 7.619 1.00 0.91 H new ATOM 407 N ILE A 28 -8.751 9.900 6.545 1.00 0.82 N ATOM 408 CA ILE A 28 -9.342 10.463 5.341 1.00 0.83 C ATOM 409 C ILE A 28 -10.693 11.105 5.682 1.00 0.88 C ATOM 410 O ILE A 28 -11.123 12.072 5.053 1.00 0.94 O ATOM 411 CB ILE A 28 -9.501 9.350 4.275 1.00 0.86 C ATOM 412 CG1 ILE A 28 -9.375 9.884 2.855 1.00 0.99 C ATOM 413 CG2 ILE A 28 -10.826 8.628 4.422 1.00 1.56 C ATOM 414 CD1 ILE A 28 -9.295 8.763 1.843 1.00 0.95 C ATOM 0 H ILE A 28 -8.682 8.882 6.534 1.00 0.82 H new ATOM 0 HA ILE A 28 -8.692 11.237 4.933 1.00 0.83 H new ATOM 0 HB ILE A 28 -8.686 8.648 4.450 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -10.231 10.520 2.628 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -8.485 10.508 2.778 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -10.905 7.854 3.659 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -10.884 8.171 5.410 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -11.643 9.339 4.303 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -9.206 9.183 0.841 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -8.424 8.143 2.055 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -10.197 8.154 1.902 1.00 0.95 H new ATOM 426 N ARG A 29 -11.340 10.564 6.709 1.00 0.93 N ATOM 427 CA ARG A 29 -12.585 11.109 7.224 1.00 1.04 C ATOM 428 C ARG A 29 -12.324 12.448 7.905 1.00 1.08 C ATOM 429 O ARG A 29 -13.144 13.360 7.849 1.00 1.17 O ATOM 430 CB ARG A 29 -13.216 10.110 8.203 1.00 1.16 C ATOM 431 CG ARG A 29 -14.404 10.643 8.985 1.00 1.33 C ATOM 432 CD ARG A 29 -15.554 11.036 8.071 1.00 1.58 C ATOM 433 NE ARG A 29 -16.653 11.645 8.816 1.00 2.13 N ATOM 434 CZ ARG A 29 -17.169 12.844 8.543 1.00 2.85 C ATOM 435 NH1 ARG A 29 -16.703 13.571 7.533 1.00 3.29 N ATOM 436 NH2 ARG A 29 -18.155 13.322 9.290 1.00 3.56 N ATOM 0 H ARG A 29 -11.014 9.735 7.206 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.280 11.276 6.401 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -13.533 9.228 7.646 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -12.452 9.784 8.909 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -14.744 9.885 9.691 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -14.094 11.508 9.571 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -15.196 11.735 7.315 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -15.917 10.154 7.543 1.00 1.58 H new ATOM 0 HE ARG A 29 -17.051 11.120 9.595 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -15.942 13.213 6.956 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -17.107 14.487 7.335 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -18.516 12.773 10.070 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -18.552 14.239 9.084 1.00 3.56 H new ATOM 450 N HIS A 30 -11.155 12.567 8.518 1.00 1.05 N ATOM 451 CA HIS A 30 -10.750 13.801 9.177 1.00 1.13 C ATOM 452 C HIS A 30 -10.151 14.791 8.183 1.00 1.15 C ATOM 453 O HIS A 30 -9.512 15.767 8.568 1.00 1.32 O ATOM 454 CB HIS A 30 -9.750 13.511 10.283 1.00 1.23 C ATOM 455 CG HIS A 30 -10.361 13.049 11.552 1.00 1.70 C ATOM 456 ND1 HIS A 30 -10.936 11.889 11.831 1.00 2.44 N flip ATOM 457 CD2 HIS A 30 -10.404 13.795 12.710 1.00 2.01 C flip ATOM 458 CE1 HIS A 30 -11.324 11.916 13.145 1.00 2.88 C flip ATOM 459 NE2 HIS A 30 -10.989 13.084 13.656 1.00 2.60 N flip ATOM 0 H HIS A 30 -10.465 11.818 8.573 1.00 1.05 H new ATOM 0 HA HIS A 30 -11.643 14.251 9.611 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -9.049 12.753 9.934 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -9.171 14.414 10.479 1.00 1.23 H new ATOM 0 HD1 HIS A 30 -11.067 11.113 11.182 1.00 2.44 H new ATOM 0 HD2 HIS A 30 -10.021 14.798 12.825 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -11.821 11.115 13.673 1.00 2.88 H new ATOM 468 N SER A 31 -10.357 14.536 6.899 1.00 1.07 N ATOM 469 CA SER A 31 -9.806 15.386 5.859 1.00 1.19 C ATOM 470 C SER A 31 -10.872 16.341 5.316 1.00 1.32 C ATOM 471 O SER A 31 -10.683 16.950 4.262 1.00 1.76 O ATOM 472 CB SER A 31 -9.226 14.525 4.729 1.00 1.15 C ATOM 473 OG SER A 31 -8.496 15.308 3.804 1.00 1.50 O ATOM 0 H SER A 31 -10.903 13.746 6.554 1.00 1.07 H new ATOM 0 HA SER A 31 -9.004 15.986 6.289 1.00 1.19 H new ATOM 0 HB2 SER A 31 -8.576 13.758 5.151 1.00 1.15 H new ATOM 0 HB3 SER A 31 -10.035 14.008 4.212 1.00 1.15 H new ATOM 0 HG SER A 31 -8.963 16.156 3.654 1.00 1.50 H new ATOM 479 N LYS A 32 -11.995 16.450 6.046 1.00 1.43 N ATOM 480 CA LYS A 32 -13.079 17.400 5.740 1.00 1.81 C ATOM 481 C LYS A 32 -13.885 17.022 4.493 1.00 1.37 C ATOM 482 O LYS A 32 -15.110 17.135 4.479 1.00 1.78 O ATOM 483 CB LYS A 32 -12.509 18.805 5.576 1.00 2.82 C ATOM 484 CG LYS A 32 -11.835 19.340 6.824 1.00 3.53 C ATOM 485 CD LYS A 32 -11.138 20.660 6.550 1.00 4.33 C ATOM 486 CE LYS A 32 -10.415 21.186 7.781 1.00 5.18 C ATOM 487 NZ LYS A 32 -11.343 21.423 8.918 1.00 5.71 N ATOM 0 H LYS A 32 -12.178 15.878 6.870 1.00 1.43 H new ATOM 0 HA LYS A 32 -13.768 17.365 6.584 1.00 1.81 H new ATOM 0 HB2 LYS A 32 -11.789 18.802 4.758 1.00 2.82 H new ATOM 0 HB3 LYS A 32 -13.313 19.482 5.290 1.00 2.82 H new ATOM 0 HG2 LYS A 32 -12.577 19.474 7.612 1.00 3.53 H new ATOM 0 HG3 LYS A 32 -11.110 18.612 7.189 1.00 3.53 H new ATOM 0 HD2 LYS A 32 -10.424 20.531 5.737 1.00 4.33 H new ATOM 0 HD3 LYS A 32 -11.871 21.395 6.217 1.00 4.33 H new ATOM 0 HE2 LYS A 32 -9.648 20.472 8.083 1.00 5.18 H new ATOM 0 HE3 LYS A 32 -9.904 22.116 7.531 1.00 5.18 H new ATOM 0 HZ1 LYS A 32 -10.849 21.951 9.665 1.00 5.71 H new ATOM 0 HZ2 LYS A 32 -12.162 21.974 8.589 1.00 5.71 H new ATOM 0 HZ3 LYS A 32 -11.669 20.511 9.296 1.00 5.71 H new ATOM 501 N VAL A 33 -13.195 16.572 3.458 1.00 1.59 N ATOM 502 CA VAL A 33 -13.805 16.296 2.156 1.00 1.75 C ATOM 503 C VAL A 33 -14.616 14.997 2.136 1.00 1.88 C ATOM 504 O VAL A 33 -14.916 14.467 1.066 1.00 2.52 O ATOM 505 CB VAL A 33 -12.729 16.201 1.060 1.00 2.22 C ATOM 506 CG1 VAL A 33 -11.946 17.499 0.958 1.00 2.95 C ATOM 507 CG2 VAL A 33 -11.804 15.027 1.339 1.00 2.99 C ATOM 0 H VAL A 33 -12.193 16.385 3.491 1.00 1.59 H new ATOM 0 HA VAL A 33 -14.482 17.129 1.967 1.00 1.75 H new ATOM 0 HB VAL A 33 -13.220 16.034 0.101 1.00 2.22 H new ATOM 0 HG11 VAL A 33 -11.191 17.408 0.177 1.00 2.95 H new ATOM 0 HG12 VAL A 33 -12.625 18.315 0.713 1.00 2.95 H new ATOM 0 HG13 VAL A 33 -11.459 17.706 1.911 1.00 2.95 H new ATOM 0 HG21 VAL A 33 -11.046 14.968 0.558 1.00 2.99 H new ATOM 0 HG22 VAL A 33 -11.320 15.167 2.305 1.00 2.99 H new ATOM 0 HG23 VAL A 33 -12.383 14.103 1.354 1.00 2.99 H new ATOM 517 N THR A 34 -14.957 14.479 3.300 1.00 1.80 N ATOM 518 CA THR A 34 -15.734 13.262 3.378 1.00 2.15 C ATOM 519 C THR A 34 -17.207 13.577 3.568 1.00 1.77 C ATOM 520 O THR A 34 -17.602 14.251 4.523 1.00 2.24 O ATOM 521 CB THR A 34 -15.234 12.358 4.511 1.00 3.04 C ATOM 522 OG1 THR A 34 -14.774 13.154 5.609 1.00 3.73 O ATOM 523 CG2 THR A 34 -14.118 11.456 4.021 1.00 3.93 C ATOM 0 H THR A 34 -14.707 14.883 4.203 1.00 1.80 H new ATOM 0 HA THR A 34 -15.610 12.728 2.436 1.00 2.15 H new ATOM 0 HB THR A 34 -16.063 11.734 4.846 1.00 3.04 H new ATOM 0 HG1 THR A 34 -13.797 13.227 5.574 1.00 3.73 H new ATOM 0 HG21 THR A 34 -13.777 10.822 4.839 1.00 3.93 H new ATOM 0 HG22 THR A 34 -14.486 10.831 3.207 1.00 3.93 H new ATOM 0 HG23 THR A 34 -13.288 12.065 3.664 1.00 3.93 H new ATOM 531 N GLU A 35 -18.002 13.093 2.624 1.00 1.44 N ATOM 532 CA GLU A 35 -19.446 13.294 2.626 1.00 1.66 C ATOM 533 C GLU A 35 -20.095 12.848 3.933 1.00 1.86 C ATOM 534 O GLU A 35 -20.667 13.660 4.654 1.00 2.52 O ATOM 535 CB GLU A 35 -20.082 12.549 1.453 1.00 2.22 C ATOM 536 CG GLU A 35 -19.904 13.244 0.111 1.00 3.01 C ATOM 537 CD GLU A 35 -20.647 14.564 0.038 1.00 3.69 C ATOM 538 OE1 GLU A 35 -21.896 14.543 -0.056 1.00 4.20 O ATOM 539 OE2 GLU A 35 -19.992 15.622 0.073 1.00 4.12 O ATOM 0 H GLU A 35 -17.663 12.548 1.832 1.00 1.44 H new ATOM 0 HA GLU A 35 -19.620 14.365 2.524 1.00 1.66 H new ATOM 0 HB2 GLU A 35 -19.651 11.550 1.393 1.00 2.22 H new ATOM 0 HB3 GLU A 35 -21.147 12.425 1.649 1.00 2.22 H new ATOM 0 HG2 GLU A 35 -18.843 13.418 -0.067 1.00 3.01 H new ATOM 0 HG3 GLU A 35 -20.257 12.587 -0.684 1.00 3.01 H new ATOM 546 N GLN A 36 -20.007 11.563 4.234 1.00 1.82 N ATOM 547 CA GLN A 36 -20.681 11.014 5.405 1.00 2.41 C ATOM 548 C GLN A 36 -20.110 9.655 5.789 1.00 2.32 C ATOM 549 O GLN A 36 -19.369 9.048 5.013 1.00 2.74 O ATOM 550 CB GLN A 36 -22.181 10.876 5.136 1.00 3.30 C ATOM 551 CG GLN A 36 -22.505 10.001 3.936 1.00 3.71 C ATOM 552 CD GLN A 36 -23.993 9.831 3.722 1.00 4.77 C ATOM 553 OE1 GLN A 36 -24.787 10.709 4.056 1.00 5.34 O ATOM 554 NE2 GLN A 36 -24.383 8.699 3.163 1.00 5.38 N ATOM 0 H GLN A 36 -19.479 10.881 3.689 1.00 1.82 H new ATOM 0 HA GLN A 36 -20.518 11.704 6.233 1.00 2.41 H new ATOM 0 HB2 GLN A 36 -22.664 10.459 6.020 1.00 3.30 H new ATOM 0 HB3 GLN A 36 -22.606 11.867 4.978 1.00 3.30 H new ATOM 0 HG2 GLN A 36 -22.061 10.439 3.042 1.00 3.71 H new ATOM 0 HG3 GLN A 36 -22.047 9.021 4.072 1.00 3.71 H new ATOM 0 HE21 GLN A 36 -23.693 7.996 2.900 1.00 5.38 H new ATOM 0 HE22 GLN A 36 -25.374 8.529 2.994 1.00 5.38 H new ATOM 563 N GLU A 37 -20.472 9.202 6.990 1.00 2.52 N ATOM 564 CA GLU A 37 -20.097 7.882 7.501 1.00 2.96 C ATOM 565 C GLU A 37 -18.594 7.750 7.740 1.00 3.08 C ATOM 566 O GLU A 37 -17.812 8.655 7.441 1.00 3.74 O ATOM 567 CB GLU A 37 -20.595 6.773 6.567 1.00 3.77 C ATOM 568 CG GLU A 37 -22.107 6.621 6.561 1.00 4.29 C ATOM 569 CD GLU A 37 -22.584 5.526 5.628 1.00 5.23 C ATOM 570 OE1 GLU A 37 -22.240 4.344 5.863 1.00 5.79 O ATOM 571 OE2 GLU A 37 -23.286 5.838 4.642 1.00 5.67 O ATOM 0 H GLU A 37 -21.039 9.745 7.641 1.00 2.52 H new ATOM 0 HA GLU A 37 -20.584 7.771 8.470 1.00 2.96 H new ATOM 0 HB2 GLU A 37 -20.255 6.982 5.553 1.00 3.77 H new ATOM 0 HB3 GLU A 37 -20.144 5.827 6.866 1.00 3.77 H new ATOM 0 HG2 GLU A 37 -22.450 6.405 7.573 1.00 4.29 H new ATOM 0 HG3 GLU A 37 -22.561 7.567 6.266 1.00 4.29 H new ATOM 578 N ALA A 38 -18.208 6.614 8.306 1.00 2.92 N ATOM 579 CA ALA A 38 -16.821 6.343 8.636 1.00 3.44 C ATOM 580 C ALA A 38 -16.612 4.842 8.802 1.00 3.42 C ATOM 581 O ALA A 38 -17.572 4.095 8.997 1.00 3.69 O ATOM 582 CB ALA A 38 -16.419 7.083 9.905 1.00 4.24 C ATOM 0 H ALA A 38 -18.849 5.858 8.548 1.00 2.92 H new ATOM 0 HA ALA A 38 -16.189 6.698 7.822 1.00 3.44 H new ATOM 0 HB1 ALA A 38 -15.376 6.868 10.137 1.00 4.24 H new ATOM 0 HB2 ALA A 38 -16.544 8.156 9.756 1.00 4.24 H new ATOM 0 HB3 ALA A 38 -17.049 6.756 10.732 1.00 4.24 H new ATOM 588 N GLY A 39 -15.361 4.412 8.736 1.00 3.60 N ATOM 589 CA GLY A 39 -15.049 2.998 8.804 1.00 3.96 C ATOM 590 C GLY A 39 -13.832 2.721 9.662 1.00 4.53 C ATOM 591 O GLY A 39 -12.881 2.069 9.221 1.00 4.95 O ATOM 0 H GLY A 39 -14.550 5.022 8.636 1.00 3.60 H new ATOM 0 HA2 GLY A 39 -15.906 2.458 9.207 1.00 3.96 H new ATOM 0 HA3 GLY A 39 -14.876 2.617 7.797 1.00 3.96 H new ATOM 595 N GLY A 40 -13.859 3.224 10.887 1.00 4.95 N ATOM 596 CA GLY A 40 -12.745 3.035 11.788 1.00 5.80 C ATOM 597 C GLY A 40 -13.186 2.602 13.171 1.00 6.36 C ATOM 598 O GLY A 40 -13.432 1.419 13.409 1.00 6.66 O ATOM 0 H GLY A 40 -14.636 3.761 11.273 1.00 4.95 H new ATOM 0 HA2 GLY A 40 -12.070 2.286 11.374 1.00 5.80 H new ATOM 0 HA3 GLY A 40 -12.181 3.965 11.864 1.00 5.80 H new ATOM 602 N ILE A 41 -13.313 3.561 14.079 1.00 6.77 N ATOM 603 CA ILE A 41 -13.661 3.265 15.457 1.00 7.49 C ATOM 604 C ILE A 41 -15.159 3.430 15.709 1.00 7.34 C ATOM 605 O ILE A 41 -15.648 3.175 16.809 1.00 7.90 O ATOM 606 CB ILE A 41 -12.855 4.153 16.431 1.00 8.32 C ATOM 607 CG1 ILE A 41 -12.867 5.631 16.007 1.00 8.45 C ATOM 608 CG2 ILE A 41 -11.427 3.646 16.535 1.00 9.17 C ATOM 609 CD1 ILE A 41 -14.134 6.380 16.374 1.00 9.07 C ATOM 0 H ILE A 41 -13.179 4.553 13.882 1.00 6.77 H new ATOM 0 HA ILE A 41 -13.403 2.221 15.638 1.00 7.49 H new ATOM 0 HB ILE A 41 -13.334 4.092 17.408 1.00 8.32 H new ATOM 0 HG12 ILE A 41 -12.016 6.135 16.466 1.00 8.45 H new ATOM 0 HG13 ILE A 41 -12.726 5.687 14.928 1.00 8.45 H new ATOM 0 HG21 ILE A 41 -10.866 4.278 17.224 1.00 9.17 H new ATOM 0 HG22 ILE A 41 -11.431 2.621 16.905 1.00 9.17 H new ATOM 0 HG23 ILE A 41 -10.958 3.675 15.552 1.00 9.17 H new ATOM 0 HD11 ILE A 41 -14.056 7.414 16.038 1.00 9.07 H new ATOM 0 HD12 ILE A 41 -14.989 5.906 15.893 1.00 9.07 H new ATOM 0 HD13 ILE A 41 -14.268 6.360 17.455 1.00 9.07 H new ATOM 621 N THR A 42 -15.877 3.863 14.686 1.00 6.77 N ATOM 622 CA THR A 42 -17.303 4.082 14.792 1.00 6.78 C ATOM 623 C THR A 42 -18.083 2.806 14.476 1.00 6.26 C ATOM 624 O THR A 42 -17.865 2.172 13.441 1.00 6.12 O ATOM 625 CB THR A 42 -17.734 5.208 13.841 1.00 6.87 C ATOM 626 OG1 THR A 42 -17.058 5.071 12.581 1.00 7.36 O ATOM 627 CG2 THR A 42 -17.426 6.571 14.445 1.00 7.24 C ATOM 0 H THR A 42 -15.488 4.070 13.766 1.00 6.77 H new ATOM 0 HA THR A 42 -17.525 4.371 15.819 1.00 6.78 H new ATOM 0 HB THR A 42 -18.810 5.133 13.684 1.00 6.87 H new ATOM 0 HG1 THR A 42 -17.719 4.957 11.866 1.00 7.36 H new ATOM 0 HG21 THR A 42 -17.739 7.354 13.755 1.00 7.24 H new ATOM 0 HG22 THR A 42 -17.963 6.681 15.387 1.00 7.24 H new ATOM 0 HG23 THR A 42 -16.354 6.655 14.626 1.00 7.24 H new ATOM 635 N GLN A 43 -18.996 2.434 15.365 1.00 6.30 N ATOM 636 CA GLN A 43 -19.792 1.231 15.175 1.00 6.20 C ATOM 637 C GLN A 43 -20.998 1.536 14.292 1.00 5.65 C ATOM 638 O GLN A 43 -22.132 1.664 14.762 1.00 6.00 O ATOM 639 CB GLN A 43 -20.233 0.643 16.522 1.00 7.05 C ATOM 640 CG GLN A 43 -21.009 -0.663 16.393 1.00 7.68 C ATOM 641 CD GLN A 43 -20.233 -1.743 15.662 1.00 8.40 C ATOM 642 OE1 GLN A 43 -20.303 -1.857 14.436 1.00 8.83 O ATOM 643 NE2 GLN A 43 -19.499 -2.549 16.406 1.00 8.79 N ATOM 0 H GLN A 43 -19.202 2.947 16.222 1.00 6.30 H new ATOM 0 HA GLN A 43 -19.175 0.483 14.676 1.00 6.20 H new ATOM 0 HB2 GLN A 43 -19.352 0.473 17.141 1.00 7.05 H new ATOM 0 HB3 GLN A 43 -20.852 1.374 17.043 1.00 7.05 H new ATOM 0 HG2 GLN A 43 -21.273 -1.023 17.388 1.00 7.68 H new ATOM 0 HG3 GLN A 43 -21.943 -0.474 15.865 1.00 7.68 H new ATOM 0 HE21 GLN A 43 -19.467 -2.422 17.418 1.00 8.79 H new ATOM 0 HE22 GLN A 43 -18.963 -3.299 15.969 1.00 8.79 H new ATOM 652 N HIS A 44 -20.720 1.699 13.012 1.00 5.11 N ATOM 653 CA HIS A 44 -21.744 1.917 12.002 1.00 4.88 C ATOM 654 C HIS A 44 -21.332 1.195 10.732 1.00 4.31 C ATOM 655 O HIS A 44 -21.948 0.203 10.341 1.00 4.61 O ATOM 656 CB HIS A 44 -21.932 3.414 11.717 1.00 5.23 C ATOM 657 CG HIS A 44 -22.670 4.166 12.787 1.00 5.70 C ATOM 658 ND1 HIS A 44 -24.041 4.292 12.808 1.00 6.04 N ATOM 659 CD2 HIS A 44 -22.219 4.851 13.865 1.00 6.21 C ATOM 660 CE1 HIS A 44 -24.401 5.022 13.848 1.00 6.66 C ATOM 661 NE2 HIS A 44 -23.313 5.375 14.508 1.00 6.76 N ATOM 0 H HIS A 44 -19.771 1.684 12.639 1.00 5.11 H new ATOM 0 HA HIS A 44 -22.694 1.528 12.367 1.00 4.88 H new ATOM 0 HB2 HIS A 44 -20.952 3.870 11.581 1.00 5.23 H new ATOM 0 HB3 HIS A 44 -22.470 3.527 10.775 1.00 5.23 H new ATOM 0 HD2 HIS A 44 -21.187 4.964 14.164 1.00 6.21 H new ATOM 0 HE1 HIS A 44 -25.414 5.286 14.114 1.00 6.66 H new ATOM 0 HE2 HIS A 44 -23.289 5.943 15.355 1.00 6.76 H new ATOM 670 N ILE A 45 -20.258 1.697 10.123 1.00 3.86 N ATOM 671 CA ILE A 45 -19.650 1.095 8.937 1.00 3.48 C ATOM 672 C ILE A 45 -20.547 1.227 7.713 1.00 3.02 C ATOM 673 O ILE A 45 -21.776 1.223 7.796 1.00 3.28 O ATOM 674 CB ILE A 45 -19.285 -0.392 9.148 1.00 3.98 C ATOM 675 CG1 ILE A 45 -18.471 -0.565 10.432 1.00 4.52 C ATOM 676 CG2 ILE A 45 -18.504 -0.942 7.961 1.00 4.50 C ATOM 677 CD1 ILE A 45 -17.167 0.209 10.427 1.00 5.19 C ATOM 0 H ILE A 45 -19.781 2.540 10.442 1.00 3.86 H new ATOM 0 HA ILE A 45 -18.729 1.651 8.764 1.00 3.48 H new ATOM 0 HB ILE A 45 -20.215 -0.953 9.236 1.00 3.98 H new ATOM 0 HG12 ILE A 45 -19.073 -0.242 11.281 1.00 4.52 H new ATOM 0 HG13 ILE A 45 -18.256 -1.624 10.577 1.00 4.52 H new ATOM 0 HG21 ILE A 45 -18.262 -1.990 8.139 1.00 4.50 H new ATOM 0 HG22 ILE A 45 -19.108 -0.858 7.058 1.00 4.50 H new ATOM 0 HG23 ILE A 45 -17.583 -0.373 7.836 1.00 4.50 H new ATOM 0 HD11 ILE A 45 -16.641 0.041 11.367 1.00 5.19 H new ATOM 0 HD12 ILE A 45 -16.546 -0.130 9.598 1.00 5.19 H new ATOM 0 HD13 ILE A 45 -17.376 1.273 10.313 1.00 5.19 H new ATOM 689 N GLY A 46 -19.901 1.329 6.578 1.00 2.83 N ATOM 690 CA GLY A 46 -20.589 1.489 5.325 1.00 2.96 C ATOM 691 C GLY A 46 -19.639 1.932 4.243 1.00 2.37 C ATOM 692 O GLY A 46 -18.875 1.126 3.716 1.00 2.97 O ATOM 0 H GLY A 46 -18.884 1.303 6.499 1.00 2.83 H new ATOM 0 HA2 GLY A 46 -21.057 0.547 5.040 1.00 2.96 H new ATOM 0 HA3 GLY A 46 -21.388 2.222 5.435 1.00 2.96 H new ATOM 696 N ALA A 47 -19.656 3.222 3.952 1.00 1.69 N ATOM 697 CA ALA A 47 -18.800 3.791 2.921 1.00 1.33 C ATOM 698 C ALA A 47 -18.874 5.303 2.940 1.00 1.25 C ATOM 699 O ALA A 47 -19.684 5.885 3.659 1.00 1.45 O ATOM 700 CB ALA A 47 -19.190 3.282 1.545 1.00 1.71 C ATOM 0 H ALA A 47 -20.258 3.901 4.419 1.00 1.69 H new ATOM 0 HA ALA A 47 -17.777 3.479 3.133 1.00 1.33 H new ATOM 0 HB1 ALA A 47 -18.534 3.723 0.794 1.00 1.71 H new ATOM 0 HB2 ALA A 47 -19.094 2.197 1.518 1.00 1.71 H new ATOM 0 HB3 ALA A 47 -20.222 3.560 1.333 1.00 1.71 H new ATOM 706 N TYR A 48 -18.049 5.934 2.123 1.00 1.05 N ATOM 707 CA TYR A 48 -17.960 7.379 2.105 1.00 1.04 C ATOM 708 C TYR A 48 -17.561 7.873 0.723 1.00 0.91 C ATOM 709 O TYR A 48 -16.918 7.157 -0.047 1.00 0.86 O ATOM 710 CB TYR A 48 -16.958 7.867 3.155 1.00 1.16 C ATOM 711 CG TYR A 48 -15.555 7.360 2.938 1.00 1.12 C ATOM 712 CD1 TYR A 48 -15.264 6.010 3.041 1.00 1.34 C ATOM 713 CD2 TYR A 48 -14.521 8.233 2.638 1.00 1.31 C ATOM 714 CE1 TYR A 48 -13.982 5.541 2.846 1.00 1.77 C ATOM 715 CE2 TYR A 48 -13.236 7.775 2.442 1.00 1.73 C ATOM 716 CZ TYR A 48 -12.972 6.428 2.531 1.00 1.96 C ATOM 717 OH TYR A 48 -11.690 5.962 2.354 1.00 2.54 O ATOM 0 H TYR A 48 -17.430 5.464 1.462 1.00 1.05 H new ATOM 0 HA TYR A 48 -18.942 7.786 2.347 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -16.945 8.957 3.153 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -17.299 7.554 4.142 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -16.054 5.313 3.278 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -14.726 9.290 2.556 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -13.769 4.486 2.939 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -12.440 8.470 2.220 1.00 1.73 H new ATOM 0 HH TYR A 48 -11.489 5.912 1.396 1.00 2.54 H new ATOM 727 N GLN A 49 -17.961 9.091 0.407 1.00 1.01 N ATOM 728 CA GLN A 49 -17.602 9.716 -0.852 1.00 1.00 C ATOM 729 C GLN A 49 -16.724 10.926 -0.578 1.00 1.11 C ATOM 730 O GLN A 49 -16.863 11.573 0.464 1.00 1.34 O ATOM 731 CB GLN A 49 -18.859 10.130 -1.619 1.00 1.16 C ATOM 732 CG GLN A 49 -19.751 8.958 -1.992 1.00 1.18 C ATOM 733 CD GLN A 49 -21.068 9.398 -2.597 1.00 1.42 C ATOM 734 OE1 GLN A 49 -21.593 10.463 -2.269 1.00 1.80 O ATOM 735 NE2 GLN A 49 -21.616 8.579 -3.479 1.00 1.96 N ATOM 0 H GLN A 49 -18.541 9.672 1.012 1.00 1.01 H new ATOM 0 HA GLN A 49 -17.051 9.003 -1.465 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -19.430 10.833 -1.013 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -18.565 10.657 -2.527 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.226 8.318 -2.701 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -19.946 8.357 -1.104 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -21.149 7.706 -3.723 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -22.506 8.820 -3.915 1.00 1.96 H new ATOM 744 N VAL A 50 -15.813 11.216 -1.492 1.00 1.04 N ATOM 745 CA VAL A 50 -14.911 12.341 -1.317 1.00 1.18 C ATOM 746 C VAL A 50 -15.253 13.459 -2.278 1.00 1.28 C ATOM 747 O VAL A 50 -15.709 13.232 -3.401 1.00 1.38 O ATOM 748 CB VAL A 50 -13.438 11.935 -1.503 1.00 1.24 C ATOM 749 CG1 VAL A 50 -12.498 13.130 -1.414 1.00 1.93 C ATOM 750 CG2 VAL A 50 -13.059 10.900 -0.470 1.00 1.59 C ATOM 0 H VAL A 50 -15.679 10.692 -2.357 1.00 1.04 H new ATOM 0 HA VAL A 50 -15.040 12.691 -0.293 1.00 1.18 H new ATOM 0 HB VAL A 50 -13.335 11.514 -2.503 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -11.470 12.795 -1.551 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -12.752 13.851 -2.191 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -12.599 13.600 -0.436 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -12.016 10.616 -0.606 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -13.195 11.316 0.528 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -13.693 10.021 -0.586 1.00 1.59 H new ATOM 760 N THR A 51 -14.987 14.655 -1.824 1.00 1.42 N ATOM 761 CA THR A 51 -15.357 15.860 -2.541 1.00 1.57 C ATOM 762 C THR A 51 -14.312 16.226 -3.588 1.00 1.83 C ATOM 763 O THR A 51 -13.400 17.008 -3.330 1.00 2.06 O ATOM 764 CB THR A 51 -15.546 17.049 -1.579 1.00 1.67 C ATOM 765 OG1 THR A 51 -16.431 16.677 -0.517 1.00 1.94 O ATOM 766 CG2 THR A 51 -16.105 18.258 -2.319 1.00 1.88 C ATOM 0 H THR A 51 -14.505 14.828 -0.942 1.00 1.42 H new ATOM 0 HA THR A 51 -16.303 15.651 -3.040 1.00 1.57 H new ATOM 0 HB THR A 51 -14.574 17.317 -1.164 1.00 1.67 H new ATOM 0 HG1 THR A 51 -15.989 16.023 0.063 1.00 1.94 H new ATOM 0 HG21 THR A 51 -16.231 19.086 -1.621 1.00 1.88 H new ATOM 0 HG22 THR A 51 -15.415 18.552 -3.110 1.00 1.88 H new ATOM 0 HG23 THR A 51 -17.070 18.003 -2.756 1.00 1.88 H new ATOM 774 N VAL A 52 -14.440 15.637 -4.761 1.00 2.18 N ATOM 775 CA VAL A 52 -13.657 16.067 -5.903 1.00 2.71 C ATOM 776 C VAL A 52 -14.574 16.808 -6.844 1.00 2.73 C ATOM 777 O VAL A 52 -15.465 16.195 -7.443 1.00 2.83 O ATOM 778 CB VAL A 52 -12.988 14.905 -6.654 1.00 3.49 C ATOM 779 CG1 VAL A 52 -12.261 15.437 -7.879 1.00 4.12 C ATOM 780 CG2 VAL A 52 -12.032 14.160 -5.738 1.00 3.97 C ATOM 0 H VAL A 52 -15.076 14.862 -4.948 1.00 2.18 H new ATOM 0 HA VAL A 52 -12.851 16.702 -5.536 1.00 2.71 H new ATOM 0 HB VAL A 52 -13.755 14.203 -6.980 1.00 3.49 H new ATOM 0 HG11 VAL A 52 -11.788 14.610 -8.409 1.00 4.12 H new ATOM 0 HG12 VAL A 52 -12.974 15.931 -8.539 1.00 4.12 H new ATOM 0 HG13 VAL A 52 -11.499 16.152 -7.568 1.00 4.12 H new ATOM 0 HG21 VAL A 52 -11.567 13.340 -6.286 1.00 3.97 H new ATOM 0 HG22 VAL A 52 -11.260 14.844 -5.384 1.00 3.97 H new ATOM 0 HG23 VAL A 52 -12.582 13.761 -4.886 1.00 3.97 H new ATOM 790 N ASN A 53 -14.368 18.119 -6.940 1.00 2.87 N ATOM 791 CA ASN A 53 -15.317 19.039 -7.582 1.00 2.97 C ATOM 792 C ASN A 53 -16.593 19.138 -6.752 1.00 2.55 C ATOM 793 O ASN A 53 -17.056 20.224 -6.407 1.00 2.91 O ATOM 794 CB ASN A 53 -15.649 18.594 -8.992 1.00 3.48 C ATOM 795 CG ASN A 53 -16.446 19.626 -9.775 1.00 3.97 C ATOM 796 OD1 ASN A 53 -16.171 20.903 -9.542 1.00 4.43 O flip ATOM 797 ND2 ASN A 53 -17.292 19.275 -10.597 1.00 4.21 N flip ATOM 0 H ASN A 53 -13.535 18.580 -6.574 1.00 2.87 H new ATOM 0 HA ASN A 53 -14.847 20.021 -7.640 1.00 2.97 H new ATOM 0 HB2 ASN A 53 -14.723 18.379 -9.525 1.00 3.48 H new ATOM 0 HB3 ASN A 53 -16.216 17.664 -8.948 1.00 3.48 H new ATOM 0 HD21 ASN A 53 -17.475 18.283 -10.748 1.00 4.21 H new ATOM 0 HD22 ASN A 53 -17.810 19.976 -11.127 1.00 4.21 H new ATOM 804 N ASP A 54 -17.130 17.977 -6.426 1.00 2.17 N ATOM 805 CA ASP A 54 -18.322 17.841 -5.605 1.00 2.21 C ATOM 806 C ASP A 54 -18.268 16.516 -4.852 1.00 2.44 C ATOM 807 O ASP A 54 -18.322 16.483 -3.625 1.00 3.17 O ATOM 808 CB ASP A 54 -19.560 17.902 -6.473 1.00 2.57 C ATOM 809 CG ASP A 54 -20.848 17.813 -5.682 1.00 3.06 C ATOM 810 OD1 ASP A 54 -21.217 18.808 -5.027 1.00 3.62 O ATOM 811 OD2 ASP A 54 -21.512 16.757 -5.739 1.00 3.37 O ATOM 0 H ASP A 54 -16.743 17.083 -6.730 1.00 2.17 H new ATOM 0 HA ASP A 54 -18.363 18.660 -4.887 1.00 2.21 H new ATOM 0 HB2 ASP A 54 -19.553 18.833 -7.040 1.00 2.57 H new ATOM 0 HB3 ASP A 54 -19.529 17.088 -7.197 1.00 2.57 H new ATOM 816 N LYS A 55 -18.129 15.434 -5.623 1.00 2.26 N ATOM 817 CA LYS A 55 -17.967 14.075 -5.100 1.00 2.71 C ATOM 818 C LYS A 55 -17.938 13.082 -6.257 1.00 2.17 C ATOM 819 O LYS A 55 -18.846 12.276 -6.436 1.00 2.81 O ATOM 820 CB LYS A 55 -19.058 13.697 -4.082 1.00 3.83 C ATOM 821 CG LYS A 55 -20.472 14.098 -4.475 1.00 4.80 C ATOM 822 CD LYS A 55 -21.432 13.893 -3.319 1.00 5.76 C ATOM 823 CE LYS A 55 -22.679 14.748 -3.464 1.00 6.66 C ATOM 824 NZ LYS A 55 -23.485 14.757 -2.216 1.00 7.44 N ATOM 0 H LYS A 55 -18.126 15.478 -6.642 1.00 2.26 H new ATOM 0 HA LYS A 55 -17.020 14.039 -4.562 1.00 2.71 H new ATOM 0 HB2 LYS A 55 -19.032 12.618 -3.928 1.00 3.83 H new ATOM 0 HB3 LYS A 55 -18.818 14.161 -3.126 1.00 3.83 H new ATOM 0 HG2 LYS A 55 -20.486 15.143 -4.784 1.00 4.80 H new ATOM 0 HG3 LYS A 55 -20.797 13.508 -5.332 1.00 4.80 H new ATOM 0 HD2 LYS A 55 -21.716 12.842 -3.264 1.00 5.76 H new ATOM 0 HD3 LYS A 55 -20.931 14.137 -2.382 1.00 5.76 H new ATOM 0 HE2 LYS A 55 -22.393 15.768 -3.721 1.00 6.66 H new ATOM 0 HE3 LYS A 55 -23.286 14.370 -4.287 1.00 6.66 H new ATOM 0 HZ1 LYS A 55 -24.069 15.617 -2.186 1.00 7.44 H new ATOM 0 HZ2 LYS A 55 -24.101 13.920 -2.195 1.00 7.44 H new ATOM 0 HZ3 LYS A 55 -22.850 14.740 -1.393 1.00 7.44 H new ATOM 838 N LYS A 56 -16.875 13.158 -7.049 1.00 1.66 N ATOM 839 CA LYS A 56 -16.754 12.340 -8.252 1.00 1.89 C ATOM 840 C LYS A 56 -15.977 11.049 -7.965 1.00 1.55 C ATOM 841 O LYS A 56 -15.671 10.276 -8.877 1.00 1.86 O ATOM 842 CB LYS A 56 -16.074 13.161 -9.360 1.00 2.73 C ATOM 843 CG LYS A 56 -16.177 12.549 -10.750 1.00 3.49 C ATOM 844 CD LYS A 56 -15.639 13.491 -11.817 1.00 4.29 C ATOM 845 CE LYS A 56 -15.756 12.888 -13.209 1.00 4.99 C ATOM 846 NZ LYS A 56 -14.808 11.764 -13.416 1.00 5.43 N ATOM 0 H LYS A 56 -16.083 13.778 -6.880 1.00 1.66 H new ATOM 0 HA LYS A 56 -17.750 12.049 -8.586 1.00 1.89 H new ATOM 0 HB2 LYS A 56 -16.517 14.157 -9.381 1.00 2.73 H new ATOM 0 HB3 LYS A 56 -15.021 13.286 -9.108 1.00 2.73 H new ATOM 0 HG2 LYS A 56 -15.622 11.612 -10.778 1.00 3.49 H new ATOM 0 HG3 LYS A 56 -17.218 12.309 -10.967 1.00 3.49 H new ATOM 0 HD2 LYS A 56 -16.187 14.433 -11.781 1.00 4.29 H new ATOM 0 HD3 LYS A 56 -14.595 13.721 -11.606 1.00 4.29 H new ATOM 0 HE2 LYS A 56 -16.775 12.535 -13.365 1.00 4.99 H new ATOM 0 HE3 LYS A 56 -15.569 13.661 -13.955 1.00 4.99 H new ATOM 0 HZ1 LYS A 56 -14.876 11.429 -14.398 1.00 5.43 H new ATOM 0 HZ2 LYS A 56 -13.838 12.089 -13.227 1.00 5.43 H new ATOM 0 HZ3 LYS A 56 -15.045 10.986 -12.768 1.00 5.43 H new ATOM 860 N ILE A 57 -15.661 10.815 -6.694 1.00 1.14 N ATOM 861 CA ILE A 57 -14.983 9.588 -6.287 1.00 0.88 C ATOM 862 C ILE A 57 -15.711 8.956 -5.100 1.00 0.85 C ATOM 863 O ILE A 57 -15.999 9.630 -4.107 1.00 0.97 O ATOM 864 CB ILE A 57 -13.501 9.821 -5.888 1.00 0.80 C ATOM 865 CG1 ILE A 57 -12.728 10.545 -6.999 1.00 0.86 C ATOM 866 CG2 ILE A 57 -12.834 8.488 -5.577 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.264 10.791 -6.661 1.00 0.86 C ATOM 0 H ILE A 57 -15.863 11.458 -5.929 1.00 1.14 H new ATOM 0 HA ILE A 57 -14.999 8.926 -7.153 1.00 0.88 H new ATOM 0 HB ILE A 57 -13.486 10.454 -5.001 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -12.787 9.956 -7.914 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -13.211 11.501 -7.203 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -11.794 8.658 -5.298 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.357 8.003 -4.752 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -12.873 7.847 -6.458 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -10.781 11.306 -7.491 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -11.196 11.406 -5.763 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -10.766 9.837 -6.486 1.00 0.86 H new ATOM 879 N THR A 58 -16.016 7.671 -5.212 1.00 0.80 N ATOM 880 CA THR A 58 -16.658 6.936 -4.132 1.00 0.80 C ATOM 881 C THR A 58 -15.699 5.888 -3.567 1.00 0.73 C ATOM 882 O THR A 58 -14.994 5.220 -4.320 1.00 0.85 O ATOM 883 CB THR A 58 -17.947 6.247 -4.625 1.00 0.88 C ATOM 884 OG1 THR A 58 -18.813 7.212 -5.238 1.00 1.11 O ATOM 885 CG2 THR A 58 -18.686 5.566 -3.481 1.00 1.28 C ATOM 0 H THR A 58 -15.828 7.113 -6.045 1.00 0.80 H new ATOM 0 HA THR A 58 -16.922 7.646 -3.348 1.00 0.80 H new ATOM 0 HB THR A 58 -17.661 5.487 -5.352 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.629 6.768 -5.550 1.00 1.11 H new ATOM 0 HG21 THR A 58 -19.589 5.091 -3.863 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.042 4.811 -3.030 1.00 1.28 H new ATOM 0 HG23 THR A 58 -18.957 6.308 -2.730 1.00 1.28 H new ATOM 893 N PHE A 59 -15.658 5.758 -2.245 1.00 0.65 N ATOM 894 CA PHE A 59 -14.781 4.789 -1.596 1.00 0.64 C ATOM 895 C PHE A 59 -15.607 3.697 -0.928 1.00 0.73 C ATOM 896 O PHE A 59 -16.387 3.977 -0.014 1.00 0.83 O ATOM 897 CB PHE A 59 -13.894 5.474 -0.554 1.00 0.64 C ATOM 898 CG PHE A 59 -12.782 6.313 -1.125 1.00 0.60 C ATOM 899 CD1 PHE A 59 -13.070 7.448 -1.865 1.00 0.80 C ATOM 900 CD2 PHE A 59 -11.456 5.961 -0.939 1.00 0.75 C ATOM 901 CE1 PHE A 59 -12.057 8.217 -2.404 1.00 0.84 C ATOM 902 CE2 PHE A 59 -10.441 6.727 -1.476 1.00 0.79 C ATOM 903 CZ PHE A 59 -10.716 7.862 -2.148 1.00 0.70 C ATOM 0 H PHE A 59 -16.223 6.312 -1.601 1.00 0.65 H new ATOM 0 HA PHE A 59 -14.144 4.342 -2.359 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.520 6.106 0.076 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.460 4.710 0.091 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -14.099 7.735 -2.022 1.00 0.80 H new ATOM 0 HD2 PHE A 59 -11.213 5.077 -0.367 1.00 0.75 H new ATOM 0 HE1 PHE A 59 -12.289 9.078 -3.013 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -9.415 6.413 -1.356 1.00 0.79 H new ATOM 0 HZ PHE A 59 -9.913 8.498 -2.489 1.00 0.70 H new ATOM 913 N LEU A 60 -15.429 2.461 -1.384 1.00 0.85 N ATOM 914 CA LEU A 60 -16.193 1.330 -0.863 1.00 1.00 C ATOM 915 C LEU A 60 -15.718 0.018 -1.477 1.00 1.96 C ATOM 916 O LEU A 60 -15.289 -0.021 -2.632 1.00 2.78 O ATOM 917 CB LEU A 60 -17.691 1.510 -1.151 1.00 1.51 C ATOM 918 CG LEU A 60 -18.579 0.318 -0.773 1.00 2.10 C ATOM 919 CD1 LEU A 60 -18.415 -0.036 0.699 1.00 2.68 C ATOM 920 CD2 LEU A 60 -20.033 0.617 -1.089 1.00 3.00 C ATOM 0 H LEU A 60 -14.761 2.216 -2.115 1.00 0.85 H new ATOM 0 HA LEU A 60 -16.033 1.295 0.215 1.00 1.00 H new ATOM 0 HB2 LEU A 60 -18.044 2.390 -0.614 1.00 1.51 H new ATOM 0 HB3 LEU A 60 -17.818 1.714 -2.214 1.00 1.51 H new ATOM 0 HG LEU A 60 -18.265 -0.541 -1.366 1.00 2.10 H new ATOM 0 HD11 LEU A 60 -19.055 -0.884 0.943 1.00 2.68 H new ATOM 0 HD12 LEU A 60 -17.375 -0.297 0.897 1.00 2.68 H new ATOM 0 HD13 LEU A 60 -18.697 0.820 1.313 1.00 2.68 H new ATOM 0 HD21 LEU A 60 -20.649 -0.240 -0.814 1.00 3.00 H new ATOM 0 HD22 LEU A 60 -20.356 1.492 -0.524 1.00 3.00 H new ATOM 0 HD23 LEU A 60 -20.140 0.814 -2.156 1.00 3.00 H new ATOM 932 N ASP A 61 -15.791 -1.048 -0.686 1.00 2.55 N ATOM 933 CA ASP A 61 -15.556 -2.399 -1.174 1.00 3.74 C ATOM 934 C ASP A 61 -16.766 -2.843 -1.989 1.00 3.82 C ATOM 935 O ASP A 61 -17.677 -3.483 -1.460 1.00 3.97 O ATOM 936 CB ASP A 61 -15.336 -3.365 -0.004 1.00 4.77 C ATOM 937 CG ASP A 61 -14.266 -2.896 0.960 1.00 5.89 C ATOM 938 OD1 ASP A 61 -13.091 -2.786 0.545 1.00 6.48 O ATOM 939 OD2 ASP A 61 -14.594 -2.620 2.129 1.00 6.37 O ATOM 0 H ASP A 61 -16.014 -0.998 0.308 1.00 2.55 H new ATOM 0 HA ASP A 61 -14.661 -2.407 -1.796 1.00 3.74 H new ATOM 0 HB2 ASP A 61 -16.274 -3.491 0.537 1.00 4.77 H new ATOM 0 HB3 ASP A 61 -15.060 -4.344 -0.396 1.00 4.77 H new ATOM 944 N THR A 62 -16.775 -2.493 -3.266 1.00 4.12 N ATOM 945 CA THR A 62 -17.957 -2.668 -4.096 1.00 4.33 C ATOM 946 C THR A 62 -17.976 -4.034 -4.789 1.00 4.42 C ATOM 947 O THR A 62 -16.942 -4.538 -5.233 1.00 4.82 O ATOM 948 CB THR A 62 -18.060 -1.542 -5.154 1.00 5.07 C ATOM 949 OG1 THR A 62 -19.310 -1.628 -5.852 1.00 5.52 O ATOM 950 CG2 THR A 62 -16.909 -1.610 -6.150 1.00 5.57 C ATOM 0 H THR A 62 -15.976 -2.085 -3.751 1.00 4.12 H new ATOM 0 HA THR A 62 -18.819 -2.616 -3.432 1.00 4.33 H new ATOM 0 HB THR A 62 -18.003 -0.588 -4.630 1.00 5.07 H new ATOM 0 HG1 THR A 62 -19.144 -1.837 -6.795 1.00 5.52 H new ATOM 0 HG21 THR A 62 -17.011 -0.806 -6.879 1.00 5.57 H new ATOM 0 HG22 THR A 62 -15.963 -1.502 -5.620 1.00 5.57 H new ATOM 0 HG23 THR A 62 -16.929 -2.571 -6.664 1.00 5.57 H new ATOM 958 N PRO A 63 -19.160 -4.660 -4.844 1.00 4.51 N ATOM 959 CA PRO A 63 -19.399 -5.891 -5.575 1.00 5.03 C ATOM 960 C PRO A 63 -20.048 -5.633 -6.936 1.00 5.20 C ATOM 961 O PRO A 63 -21.254 -5.829 -7.110 1.00 5.77 O ATOM 962 CB PRO A 63 -20.377 -6.616 -4.653 1.00 5.50 C ATOM 963 CG PRO A 63 -21.118 -5.531 -3.920 1.00 5.27 C ATOM 964 CD PRO A 63 -20.379 -4.232 -4.156 1.00 4.66 C ATOM 0 HA PRO A 63 -18.485 -6.442 -5.796 1.00 5.03 H new ATOM 0 HB2 PRO A 63 -21.062 -7.243 -5.223 1.00 5.50 H new ATOM 0 HB3 PRO A 63 -19.850 -7.270 -3.958 1.00 5.50 H new ATOM 0 HG2 PRO A 63 -22.144 -5.458 -4.280 1.00 5.27 H new ATOM 0 HG3 PRO A 63 -21.169 -5.755 -2.854 1.00 5.27 H new ATOM 0 HD2 PRO A 63 -20.963 -3.541 -4.764 1.00 4.66 H new ATOM 0 HD3 PRO A 63 -20.155 -3.721 -3.220 1.00 4.66 H new ATOM 972 N GLY A 64 -19.246 -5.197 -7.898 1.00 5.00 N ATOM 973 CA GLY A 64 -19.774 -4.877 -9.218 1.00 5.40 C ATOM 974 C GLY A 64 -20.140 -6.105 -10.029 1.00 5.25 C ATOM 975 O GLY A 64 -20.732 -5.994 -11.105 1.00 5.54 O ATOM 0 H GLY A 64 -18.241 -5.058 -7.793 1.00 5.00 H new ATOM 0 HA2 GLY A 64 -20.657 -4.247 -9.106 1.00 5.40 H new ATOM 0 HA3 GLY A 64 -19.034 -4.294 -9.767 1.00 5.40 H new ATOM 979 N HIS A 65 -19.784 -7.276 -9.511 1.00 5.14 N ATOM 980 CA HIS A 65 -20.056 -8.543 -10.181 1.00 5.24 C ATOM 981 C HIS A 65 -19.570 -9.693 -9.312 1.00 4.67 C ATOM 982 O HIS A 65 -20.298 -10.653 -9.064 1.00 4.91 O ATOM 983 CB HIS A 65 -19.366 -8.585 -11.554 1.00 5.90 C ATOM 984 CG HIS A 65 -19.538 -9.880 -12.290 1.00 6.66 C ATOM 985 ND1 HIS A 65 -18.476 -10.607 -12.774 1.00 7.35 N ATOM 986 CD2 HIS A 65 -20.651 -10.574 -12.629 1.00 7.14 C ATOM 987 CE1 HIS A 65 -18.922 -11.692 -13.376 1.00 8.09 C ATOM 988 NE2 HIS A 65 -20.239 -11.697 -13.302 1.00 7.99 N ATOM 0 H HIS A 65 -19.301 -7.374 -8.618 1.00 5.14 H new ATOM 0 HA HIS A 65 -21.131 -8.639 -10.336 1.00 5.24 H new ATOM 0 HB2 HIS A 65 -19.758 -7.775 -12.170 1.00 5.90 H new ATOM 0 HB3 HIS A 65 -18.301 -8.396 -11.419 1.00 5.90 H new ATOM 0 HD2 HIS A 65 -21.671 -10.296 -12.411 1.00 7.14 H new ATOM 0 HE1 HIS A 65 -18.313 -12.448 -13.849 1.00 8.09 H new ATOM 0 HE2 HIS A 65 -20.852 -12.418 -13.683 1.00 7.99 H new ATOM 997 N GLU A 66 -18.336 -9.577 -8.846 1.00 4.31 N ATOM 998 CA GLU A 66 -17.729 -10.599 -8.011 1.00 4.06 C ATOM 999 C GLU A 66 -17.406 -10.027 -6.635 1.00 3.33 C ATOM 1000 O GLU A 66 -17.213 -8.817 -6.486 1.00 3.69 O ATOM 1001 CB GLU A 66 -16.459 -11.134 -8.684 1.00 4.70 C ATOM 1002 CG GLU A 66 -16.732 -11.828 -10.009 1.00 5.39 C ATOM 1003 CD GLU A 66 -15.471 -12.229 -10.749 1.00 5.92 C ATOM 1004 OE1 GLU A 66 -14.878 -13.270 -10.398 1.00 6.36 O ATOM 1005 OE2 GLU A 66 -15.049 -11.489 -11.659 1.00 6.21 O ATOM 0 H GLU A 66 -17.732 -8.777 -9.035 1.00 4.31 H new ATOM 0 HA GLU A 66 -18.431 -11.423 -7.885 1.00 4.06 H new ATOM 0 HB2 GLU A 66 -15.767 -10.308 -8.849 1.00 4.70 H new ATOM 0 HB3 GLU A 66 -15.965 -11.833 -8.010 1.00 4.70 H new ATOM 0 HG2 GLU A 66 -17.336 -12.717 -9.828 1.00 5.39 H new ATOM 0 HG3 GLU A 66 -17.322 -11.166 -10.643 1.00 5.39 H new ATOM 1012 N ALA A 67 -17.374 -10.890 -5.630 1.00 2.88 N ATOM 1013 CA ALA A 67 -17.073 -10.469 -4.272 1.00 2.74 C ATOM 1014 C ALA A 67 -15.568 -10.450 -4.054 1.00 2.07 C ATOM 1015 O ALA A 67 -14.881 -11.420 -4.367 1.00 2.63 O ATOM 1016 CB ALA A 67 -17.748 -11.393 -3.268 1.00 3.51 C ATOM 0 H ALA A 67 -17.554 -11.889 -5.731 1.00 2.88 H new ATOM 0 HA ALA A 67 -17.460 -9.461 -4.122 1.00 2.74 H new ATOM 0 HB1 ALA A 67 -17.513 -11.064 -2.256 1.00 3.51 H new ATOM 0 HB2 ALA A 67 -18.827 -11.366 -3.417 1.00 3.51 H new ATOM 0 HB3 ALA A 67 -17.388 -12.412 -3.412 1.00 3.51 H new ATOM 1022 N PHE A 68 -15.054 -9.349 -3.526 1.00 1.52 N ATOM 1023 CA PHE A 68 -13.614 -9.183 -3.361 1.00 1.22 C ATOM 1024 C PHE A 68 -13.160 -9.401 -1.921 1.00 1.89 C ATOM 1025 O PHE A 68 -11.976 -9.612 -1.670 1.00 2.61 O ATOM 1026 CB PHE A 68 -13.175 -7.814 -3.871 1.00 1.13 C ATOM 1027 CG PHE A 68 -13.093 -7.753 -5.372 1.00 0.93 C ATOM 1028 CD1 PHE A 68 -14.206 -7.421 -6.130 1.00 1.43 C ATOM 1029 CD2 PHE A 68 -11.904 -8.045 -6.025 1.00 0.87 C ATOM 1030 CE1 PHE A 68 -14.132 -7.377 -7.509 1.00 1.62 C ATOM 1031 CE2 PHE A 68 -11.828 -7.999 -7.404 1.00 1.14 C ATOM 1032 CZ PHE A 68 -12.942 -7.667 -8.146 1.00 1.40 C ATOM 0 H PHE A 68 -15.610 -8.557 -3.204 1.00 1.52 H new ATOM 0 HA PHE A 68 -13.130 -9.955 -3.959 1.00 1.22 H new ATOM 0 HB2 PHE A 68 -13.876 -7.057 -3.518 1.00 1.13 H new ATOM 0 HB3 PHE A 68 -12.201 -7.568 -3.448 1.00 1.13 H new ATOM 0 HD1 PHE A 68 -15.140 -7.195 -5.637 1.00 1.43 H new ATOM 0 HD2 PHE A 68 -11.029 -8.311 -5.450 1.00 0.87 H new ATOM 0 HE1 PHE A 68 -15.005 -7.116 -8.089 1.00 1.62 H new ATOM 0 HE2 PHE A 68 -10.896 -8.223 -7.901 1.00 1.14 H new ATOM 0 HZ PHE A 68 -12.884 -7.634 -9.224 1.00 1.40 H new ATOM 1042 N THR A 69 -14.092 -9.352 -0.978 1.00 2.35 N ATOM 1043 CA THR A 69 -13.768 -9.662 0.408 1.00 3.23 C ATOM 1044 C THR A 69 -14.991 -10.216 1.150 1.00 3.47 C ATOM 1045 O THR A 69 -15.039 -11.403 1.469 1.00 3.95 O ATOM 1046 CB THR A 69 -13.158 -8.441 1.152 1.00 4.06 C ATOM 1047 OG1 THR A 69 -13.004 -8.734 2.545 1.00 4.44 O ATOM 1048 CG2 THR A 69 -13.995 -7.179 0.976 1.00 4.74 C ATOM 0 H THR A 69 -15.067 -9.104 -1.144 1.00 2.35 H new ATOM 0 HA THR A 69 -13.003 -10.439 0.395 1.00 3.23 H new ATOM 0 HB THR A 69 -12.181 -8.251 0.708 1.00 4.06 H new ATOM 0 HG1 THR A 69 -12.617 -7.958 3.002 1.00 4.44 H new ATOM 0 HG21 THR A 69 -13.528 -6.354 1.514 1.00 4.74 H new ATOM 0 HG22 THR A 69 -14.060 -6.930 -0.083 1.00 4.74 H new ATOM 0 HG23 THR A 69 -14.997 -7.349 1.371 1.00 4.74 H new ATOM 1056 N THR A 70 -15.983 -9.379 1.409 1.00 3.68 N ATOM 1057 CA THR A 70 -17.195 -9.824 2.073 1.00 4.33 C ATOM 1058 C THR A 70 -18.399 -9.071 1.522 1.00 4.42 C ATOM 1059 O THR A 70 -18.814 -8.047 2.067 1.00 5.01 O ATOM 1060 CB THR A 70 -17.105 -9.623 3.600 1.00 5.25 C ATOM 1061 OG1 THR A 70 -15.888 -10.197 4.094 1.00 5.60 O ATOM 1062 CG2 THR A 70 -18.291 -10.267 4.304 1.00 5.89 C ATOM 0 H THR A 70 -15.971 -8.388 1.169 1.00 3.68 H new ATOM 0 HA THR A 70 -17.313 -10.890 1.878 1.00 4.33 H new ATOM 0 HB THR A 70 -17.118 -8.553 3.805 1.00 5.25 H new ATOM 0 HG1 THR A 70 -15.834 -10.066 5.064 1.00 5.60 H new ATOM 0 HG21 THR A 70 -18.204 -10.111 5.379 1.00 5.89 H new ATOM 0 HG22 THR A 70 -19.216 -9.815 3.946 1.00 5.89 H new ATOM 0 HG23 THR A 70 -18.303 -11.336 4.092 1.00 5.89 H new ATOM 1070 N MET A 71 -18.934 -9.565 0.417 1.00 4.24 N ATOM 1071 CA MET A 71 -20.089 -8.948 -0.214 1.00 4.73 C ATOM 1072 C MET A 71 -21.245 -9.934 -0.266 1.00 5.29 C ATOM 1073 O MET A 71 -21.052 -11.115 -0.559 1.00 5.64 O ATOM 1074 CB MET A 71 -19.756 -8.472 -1.633 1.00 4.83 C ATOM 1075 CG MET A 71 -18.719 -7.355 -1.702 1.00 4.67 C ATOM 1076 SD MET A 71 -17.024 -7.943 -1.521 1.00 4.68 S ATOM 1077 CE MET A 71 -16.119 -6.423 -1.806 1.00 4.52 C ATOM 0 H MET A 71 -18.585 -10.395 -0.063 1.00 4.24 H new ATOM 0 HA MET A 71 -20.375 -8.082 0.383 1.00 4.73 H new ATOM 0 HB2 MET A 71 -19.394 -9.322 -2.211 1.00 4.83 H new ATOM 0 HB3 MET A 71 -20.673 -8.128 -2.111 1.00 4.83 H new ATOM 0 HG2 MET A 71 -18.816 -6.837 -2.656 1.00 4.67 H new ATOM 0 HG3 MET A 71 -18.929 -6.625 -0.920 1.00 4.67 H new ATOM 0 HE1 MET A 71 -15.049 -6.617 -1.729 1.00 4.52 H new ATOM 0 HE2 MET A 71 -16.348 -6.044 -2.802 1.00 4.52 H new ATOM 0 HE3 MET A 71 -16.408 -5.682 -1.061 1.00 4.52 H new ATOM 1087 N ARG A 72 -22.440 -9.446 0.024 1.00 5.68 N ATOM 1088 CA ARG A 72 -23.639 -10.275 -0.006 1.00 6.44 C ATOM 1089 C ARG A 72 -24.575 -9.808 -1.116 1.00 6.64 C ATOM 1090 O ARG A 72 -25.334 -10.598 -1.685 1.00 7.15 O ATOM 1091 CB ARG A 72 -24.339 -10.229 1.354 1.00 7.03 C ATOM 1092 CG ARG A 72 -25.665 -10.974 1.401 1.00 7.56 C ATOM 1093 CD ARG A 72 -26.213 -11.034 2.815 1.00 8.19 C ATOM 1094 NE ARG A 72 -26.234 -9.722 3.457 1.00 8.54 N ATOM 1095 CZ ARG A 72 -26.777 -9.480 4.651 1.00 9.20 C ATOM 1096 NH1 ARG A 72 -27.397 -10.444 5.319 1.00 9.56 N ATOM 1097 NH2 ARG A 72 -26.702 -8.262 5.163 1.00 9.71 N ATOM 0 H ARG A 72 -22.608 -8.474 0.285 1.00 5.68 H new ATOM 0 HA ARG A 72 -23.355 -11.307 -0.213 1.00 6.44 H new ATOM 0 HB2 ARG A 72 -23.672 -10.649 2.107 1.00 7.03 H new ATOM 0 HB3 ARG A 72 -24.511 -9.188 1.626 1.00 7.03 H new ATOM 0 HG2 ARG A 72 -26.386 -10.480 0.750 1.00 7.56 H new ATOM 0 HG3 ARG A 72 -25.530 -11.985 1.017 1.00 7.56 H new ATOM 0 HD2 ARG A 72 -27.224 -11.442 2.794 1.00 8.19 H new ATOM 0 HD3 ARG A 72 -25.606 -11.717 3.409 1.00 8.19 H new ATOM 0 HE ARG A 72 -25.806 -8.941 2.960 1.00 8.54 H new ATOM 0 HH11 ARG A 72 -27.462 -11.381 4.920 1.00 9.56 H new ATOM 0 HH12 ARG A 72 -27.809 -10.249 6.231 1.00 9.56 H new ATOM 0 HH21 ARG A 72 -26.232 -7.519 4.645 1.00 9.71 H new ATOM 0 HH22 ARG A 72 -27.114 -8.066 6.075 1.00 9.71 H new ATOM 1111 N ALA A 73 -24.513 -8.522 -1.422 1.00 6.52 N ATOM 1112 CA ALA A 73 -25.318 -7.949 -2.491 1.00 6.92 C ATOM 1113 C ALA A 73 -24.464 -7.726 -3.735 1.00 6.65 C ATOM 1114 O ALA A 73 -23.249 -7.917 -3.702 1.00 6.71 O ATOM 1115 CB ALA A 73 -25.950 -6.640 -2.033 1.00 7.52 C ATOM 0 H ALA A 73 -23.911 -7.852 -0.943 1.00 6.52 H new ATOM 0 HA ALA A 73 -26.116 -8.648 -2.742 1.00 6.92 H new ATOM 0 HB1 ALA A 73 -26.549 -6.223 -2.842 1.00 7.52 H new ATOM 0 HB2 ALA A 73 -26.587 -6.827 -1.169 1.00 7.52 H new ATOM 0 HB3 ALA A 73 -25.166 -5.933 -1.760 1.00 7.52 H new ATOM 1121 N ARG A 74 -25.107 -7.339 -4.832 1.00 6.69 N ATOM 1122 CA ARG A 74 -24.408 -7.053 -6.082 1.00 6.76 C ATOM 1123 C ARG A 74 -24.894 -5.730 -6.662 1.00 6.62 C ATOM 1124 O ARG A 74 -26.088 -5.416 -6.597 1.00 6.89 O ATOM 1125 CB ARG A 74 -24.630 -8.184 -7.095 1.00 7.36 C ATOM 1126 CG ARG A 74 -24.152 -9.539 -6.602 1.00 7.67 C ATOM 1127 CD ARG A 74 -24.373 -10.631 -7.638 1.00 8.48 C ATOM 1128 NE ARG A 74 -23.952 -11.939 -7.138 1.00 8.99 N ATOM 1129 CZ ARG A 74 -23.590 -12.960 -7.910 1.00 9.80 C ATOM 1130 NH1 ARG A 74 -23.634 -12.855 -9.234 1.00 10.19 N ATOM 1131 NH2 ARG A 74 -23.176 -14.088 -7.347 1.00 10.42 N ATOM 0 H ARG A 74 -26.118 -7.215 -4.881 1.00 6.69 H new ATOM 0 HA ARG A 74 -23.341 -6.980 -5.873 1.00 6.76 H new ATOM 0 HB2 ARG A 74 -25.692 -8.246 -7.332 1.00 7.36 H new ATOM 0 HB3 ARG A 74 -24.111 -7.939 -8.021 1.00 7.36 H new ATOM 0 HG2 ARG A 74 -23.092 -9.482 -6.355 1.00 7.67 H new ATOM 0 HG3 ARG A 74 -24.679 -9.798 -5.684 1.00 7.67 H new ATOM 0 HD2 ARG A 74 -25.428 -10.667 -7.910 1.00 8.48 H new ATOM 0 HD3 ARG A 74 -23.818 -10.391 -8.545 1.00 8.48 H new ATOM 0 HE ARG A 74 -23.935 -12.078 -6.128 1.00 8.99 H new ATOM 0 HH11 ARG A 74 -23.947 -11.986 -9.667 1.00 10.19 H new ATOM 0 HH12 ARG A 74 -23.354 -13.643 -9.818 1.00 10.19 H new ATOM 0 HH21 ARG A 74 -23.137 -14.167 -6.331 1.00 10.42 H new ATOM 0 HH22 ARG A 74 -22.896 -14.877 -7.930 1.00 10.42 H new ATOM 1145 N GLY A 75 -23.978 -4.953 -7.218 1.00 6.47 N ATOM 1146 CA GLY A 75 -24.338 -3.665 -7.774 1.00 6.51 C ATOM 1147 C GLY A 75 -23.754 -3.448 -9.153 1.00 6.34 C ATOM 1148 O GLY A 75 -23.072 -4.321 -9.685 1.00 6.75 O ATOM 0 H GLY A 75 -22.989 -5.191 -7.295 1.00 6.47 H new ATOM 0 HA2 GLY A 75 -25.424 -3.585 -7.826 1.00 6.51 H new ATOM 0 HA3 GLY A 75 -23.992 -2.875 -7.107 1.00 6.51 H new ATOM 1152 N ALA A 76 -24.024 -2.284 -9.727 1.00 6.08 N ATOM 1153 CA ALA A 76 -23.519 -1.944 -11.052 1.00 6.24 C ATOM 1154 C ALA A 76 -22.207 -1.179 -10.938 1.00 5.83 C ATOM 1155 O ALA A 76 -21.529 -0.921 -11.935 1.00 6.16 O ATOM 1156 CB ALA A 76 -24.548 -1.125 -11.819 1.00 6.69 C ATOM 0 H ALA A 76 -24.592 -1.556 -9.295 1.00 6.08 H new ATOM 0 HA ALA A 76 -23.335 -2.868 -11.601 1.00 6.24 H new ATOM 0 HB1 ALA A 76 -24.155 -0.880 -12.806 1.00 6.69 H new ATOM 0 HB2 ALA A 76 -25.466 -1.703 -11.927 1.00 6.69 H new ATOM 0 HB3 ALA A 76 -24.761 -0.205 -11.274 1.00 6.69 H new ATOM 1162 N GLN A 77 -21.863 -0.816 -9.711 1.00 5.40 N ATOM 1163 CA GLN A 77 -20.613 -0.130 -9.437 1.00 5.18 C ATOM 1164 C GLN A 77 -19.446 -1.107 -9.496 1.00 4.21 C ATOM 1165 O GLN A 77 -19.210 -1.868 -8.557 1.00 4.21 O ATOM 1166 CB GLN A 77 -20.667 0.552 -8.069 1.00 5.87 C ATOM 1167 CG GLN A 77 -21.651 1.710 -7.994 1.00 6.56 C ATOM 1168 CD GLN A 77 -21.379 2.774 -9.041 1.00 7.26 C ATOM 1169 OE1 GLN A 77 -21.940 2.750 -10.135 1.00 7.65 O ATOM 1170 NE2 GLN A 77 -20.504 3.711 -8.717 1.00 7.72 N ATOM 0 H GLN A 77 -22.438 -0.987 -8.886 1.00 5.40 H new ATOM 0 HA GLN A 77 -20.464 0.634 -10.200 1.00 5.18 H new ATOM 0 HB2 GLN A 77 -20.935 -0.189 -7.315 1.00 5.87 H new ATOM 0 HB3 GLN A 77 -19.672 0.917 -7.817 1.00 5.87 H new ATOM 0 HG2 GLN A 77 -22.665 1.330 -8.122 1.00 6.56 H new ATOM 0 HG3 GLN A 77 -21.602 2.160 -7.002 1.00 6.56 H new ATOM 0 HE21 GLN A 77 -20.059 3.698 -7.799 1.00 7.72 H new ATOM 0 HE22 GLN A 77 -20.274 4.447 -9.385 1.00 7.72 H new ATOM 1179 N VAL A 78 -18.732 -1.086 -10.612 1.00 3.82 N ATOM 1180 CA VAL A 78 -17.624 -1.998 -10.838 1.00 3.25 C ATOM 1181 C VAL A 78 -16.464 -1.723 -9.887 1.00 3.06 C ATOM 1182 O VAL A 78 -16.284 -0.602 -9.407 1.00 3.67 O ATOM 1183 CB VAL A 78 -17.114 -1.920 -12.294 1.00 3.79 C ATOM 1184 CG1 VAL A 78 -18.193 -2.378 -13.264 1.00 4.27 C ATOM 1185 CG2 VAL A 78 -16.648 -0.508 -12.631 1.00 4.38 C ATOM 0 H VAL A 78 -18.904 -0.439 -11.382 1.00 3.82 H new ATOM 0 HA VAL A 78 -18.007 -3.000 -10.647 1.00 3.25 H new ATOM 0 HB VAL A 78 -16.259 -2.589 -12.392 1.00 3.79 H new ATOM 0 HG11 VAL A 78 -17.815 -2.316 -14.284 1.00 4.27 H new ATOM 0 HG12 VAL A 78 -18.469 -3.409 -13.041 1.00 4.27 H new ATOM 0 HG13 VAL A 78 -19.069 -1.738 -13.162 1.00 4.27 H new ATOM 0 HG21 VAL A 78 -16.293 -0.478 -13.661 1.00 4.38 H new ATOM 0 HG22 VAL A 78 -17.479 0.187 -12.513 1.00 4.38 H new ATOM 0 HG23 VAL A 78 -15.838 -0.222 -11.960 1.00 4.38 H new ATOM 1195 N THR A 79 -15.692 -2.762 -9.612 1.00 2.63 N ATOM 1196 CA THR A 79 -14.529 -2.652 -8.752 1.00 2.70 C ATOM 1197 C THR A 79 -13.294 -2.346 -9.594 1.00 1.92 C ATOM 1198 O THR A 79 -12.461 -3.220 -9.839 1.00 2.39 O ATOM 1199 CB THR A 79 -14.319 -3.966 -7.980 1.00 3.62 C ATOM 1200 OG1 THR A 79 -15.596 -4.512 -7.603 1.00 4.18 O ATOM 1201 CG2 THR A 79 -13.471 -3.741 -6.736 1.00 4.13 C ATOM 0 H THR A 79 -15.854 -3.700 -9.978 1.00 2.63 H new ATOM 0 HA THR A 79 -14.689 -1.843 -8.039 1.00 2.70 H new ATOM 0 HB THR A 79 -13.794 -4.666 -8.630 1.00 3.62 H new ATOM 0 HG1 THR A 79 -15.740 -4.376 -6.643 1.00 4.18 H new ATOM 0 HG21 THR A 79 -13.339 -4.686 -6.210 1.00 4.13 H new ATOM 0 HG22 THR A 79 -12.497 -3.348 -7.026 1.00 4.13 H new ATOM 0 HG23 THR A 79 -13.970 -3.027 -6.080 1.00 4.13 H new ATOM 1209 N ASP A 80 -13.195 -1.107 -10.054 1.00 1.32 N ATOM 1210 CA ASP A 80 -12.144 -0.721 -10.988 1.00 1.15 C ATOM 1211 C ASP A 80 -10.905 -0.213 -10.261 1.00 0.93 C ATOM 1212 O ASP A 80 -9.793 -0.299 -10.782 1.00 1.30 O ATOM 1213 CB ASP A 80 -12.667 0.346 -11.958 1.00 1.82 C ATOM 1214 CG ASP A 80 -12.990 1.668 -11.282 1.00 2.56 C ATOM 1215 OD1 ASP A 80 -13.790 1.674 -10.316 1.00 3.12 O ATOM 1216 OD2 ASP A 80 -12.454 2.707 -11.728 1.00 3.06 O ATOM 0 H ASP A 80 -13.829 -0.351 -9.796 1.00 1.32 H new ATOM 0 HA ASP A 80 -11.855 -1.608 -11.551 1.00 1.15 H new ATOM 0 HB2 ASP A 80 -11.922 0.516 -12.736 1.00 1.82 H new ATOM 0 HB3 ASP A 80 -13.563 -0.030 -12.452 1.00 1.82 H new ATOM 1221 N ILE A 81 -11.089 0.303 -9.057 1.00 0.74 N ATOM 1222 CA ILE A 81 -9.981 0.858 -8.296 1.00 0.55 C ATOM 1223 C ILE A 81 -9.743 0.078 -7.008 1.00 0.47 C ATOM 1224 O ILE A 81 -10.582 0.083 -6.108 1.00 0.63 O ATOM 1225 CB ILE A 81 -10.232 2.345 -7.955 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.233 3.192 -9.228 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -9.183 2.860 -6.981 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -8.887 3.229 -9.918 1.00 0.73 C ATOM 0 H ILE A 81 -11.993 0.349 -8.586 1.00 0.74 H new ATOM 0 HA ILE A 81 -9.093 0.779 -8.923 1.00 0.55 H new ATOM 0 HB ILE A 81 -11.210 2.425 -7.481 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -10.978 2.798 -9.919 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.535 4.209 -8.980 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -9.379 3.908 -6.755 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -9.223 2.277 -6.061 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -8.193 2.764 -7.428 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -8.954 3.846 -10.814 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.143 3.651 -9.242 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -8.593 2.217 -10.196 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.607 -0.605 -6.925 1.00 0.32 N ATOM 1241 CA VAL A 82 -8.222 -1.282 -5.707 1.00 0.30 C ATOM 1242 C VAL A 82 -7.066 -0.561 -5.039 1.00 0.25 C ATOM 1243 O VAL A 82 -5.943 -0.594 -5.539 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.789 -2.729 -5.984 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -7.276 -3.370 -4.711 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.943 -3.532 -6.566 1.00 1.19 C ATOM 0 H VAL A 82 -7.941 -0.701 -7.691 1.00 0.32 H new ATOM 0 HA VAL A 82 -9.094 -1.283 -5.053 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.983 -2.719 -6.717 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.971 -4.396 -4.917 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -6.421 -2.806 -4.338 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -8.066 -3.370 -3.960 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -8.616 -4.554 -6.755 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.773 -3.541 -5.859 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -9.268 -3.076 -7.501 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.324 0.091 -3.921 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.234 0.656 -3.149 1.00 0.25 C ATOM 1258 C ILE A 83 -5.699 -0.371 -2.193 1.00 0.27 C ATOM 1259 O ILE A 83 -6.381 -0.782 -1.260 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.611 1.897 -2.308 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -8.108 1.962 -2.026 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -6.123 3.178 -2.962 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -8.482 3.053 -1.044 1.00 1.32 C ATOM 0 H ILE A 83 -8.256 0.240 -3.534 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.501 0.967 -3.893 1.00 0.25 H new ATOM 0 HB ILE A 83 -6.105 1.796 -1.348 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -8.641 2.126 -2.962 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.440 1.000 -1.635 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.404 4.032 -2.345 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -5.038 3.145 -3.062 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -6.576 3.278 -3.948 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -9.560 3.046 -0.886 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -7.975 2.878 -0.095 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -8.180 4.021 -1.443 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.485 -0.778 -2.429 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.823 -1.707 -1.542 1.00 0.27 C ATOM 1277 C LEU A 84 -2.906 -0.957 -0.580 1.00 0.27 C ATOM 1278 O LEU A 84 -1.900 -0.384 -0.993 1.00 0.31 O ATOM 1279 CB LEU A 84 -3.003 -2.700 -2.339 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.350 -3.777 -1.508 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -3.350 -4.879 -1.227 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -1.124 -4.290 -2.224 1.00 1.33 C ATOM 0 H LEU A 84 -3.927 -0.483 -3.230 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.585 -2.240 -0.974 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.647 -3.171 -3.082 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -2.229 -2.159 -2.884 1.00 0.35 H new ATOM 0 HG LEU A 84 -2.029 -3.373 -0.548 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -2.876 -5.656 -0.627 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -4.201 -4.468 -0.683 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -3.694 -5.307 -2.169 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -0.651 -5.068 -1.625 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -1.413 -4.702 -3.191 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -0.421 -3.471 -2.374 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.248 -0.948 0.692 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.441 -0.249 1.675 1.00 0.28 C ATOM 1296 C VAL A 85 -1.283 -1.124 2.157 1.00 0.27 C ATOM 1297 O VAL A 85 -1.413 -2.343 2.285 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.285 0.217 2.887 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -3.656 -0.946 3.790 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -2.556 1.304 3.668 1.00 1.20 C ATOM 0 H VAL A 85 -4.074 -1.413 1.069 1.00 0.28 H new ATOM 0 HA VAL A 85 -2.037 0.635 1.181 1.00 0.28 H new ATOM 0 HB VAL A 85 -4.213 0.638 2.500 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -4.248 -0.581 4.629 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -4.238 -1.674 3.225 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.749 -1.420 4.165 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -3.168 1.616 4.515 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -1.605 0.915 4.031 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -2.374 2.159 3.017 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.149 -0.486 2.387 1.00 0.25 N ATOM 1311 CA VAL A 86 1.010 -1.126 2.983 1.00 0.27 C ATOM 1312 C VAL A 86 1.573 -0.195 4.039 1.00 0.24 C ATOM 1313 O VAL A 86 1.029 0.883 4.258 1.00 0.26 O ATOM 1314 CB VAL A 86 2.106 -1.465 1.945 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.615 -2.517 0.967 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.555 -0.223 1.196 1.00 0.95 C ATOM 0 H VAL A 86 -0.006 0.499 2.163 1.00 0.25 H new ATOM 0 HA VAL A 86 0.691 -2.073 3.419 1.00 0.27 H new ATOM 0 HB VAL A 86 2.962 -1.865 2.488 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.402 -2.740 0.247 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.353 -3.425 1.510 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.737 -2.143 0.441 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.325 -0.492 0.474 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.704 0.214 0.673 1.00 0.95 H new ATOM 0 HG23 VAL A 86 2.958 0.502 1.903 1.00 0.95 H new ATOM 1326 N ALA A 87 2.645 -0.580 4.701 1.00 0.28 N ATOM 1327 CA ALA A 87 3.180 0.271 5.751 1.00 0.32 C ATOM 1328 C ALA A 87 4.677 0.116 5.941 1.00 0.46 C ATOM 1329 O ALA A 87 5.201 -1.000 5.999 1.00 0.75 O ATOM 1330 CB ALA A 87 2.458 0.008 7.061 1.00 0.42 C ATOM 0 H ALA A 87 3.153 -1.450 4.540 1.00 0.28 H new ATOM 0 HA ALA A 87 3.009 1.300 5.434 1.00 0.32 H new ATOM 0 HB1 ALA A 87 2.869 0.652 7.839 1.00 0.42 H new ATOM 0 HB2 ALA A 87 1.395 0.218 6.939 1.00 0.42 H new ATOM 0 HB3 ALA A 87 2.591 -1.035 7.347 1.00 0.42 H new ATOM 1336 N ALA A 88 5.343 1.266 6.024 1.00 0.37 N ATOM 1337 CA ALA A 88 6.748 1.354 6.419 1.00 0.59 C ATOM 1338 C ALA A 88 7.650 0.391 5.646 1.00 0.53 C ATOM 1339 O ALA A 88 7.803 0.508 4.429 1.00 1.14 O ATOM 1340 CB ALA A 88 6.875 1.126 7.918 1.00 1.18 C ATOM 0 H ALA A 88 4.919 2.171 5.817 1.00 0.37 H new ATOM 0 HA ALA A 88 7.092 2.358 6.169 1.00 0.59 H new ATOM 0 HB1 ALA A 88 7.923 1.192 8.209 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.302 1.885 8.451 1.00 1.18 H new ATOM 0 HB3 ALA A 88 6.491 0.138 8.170 1.00 1.18 H new ATOM 1346 N ASP A 89 8.242 -0.559 6.359 1.00 0.56 N ATOM 1347 CA ASP A 89 9.142 -1.528 5.754 1.00 0.93 C ATOM 1348 C ASP A 89 8.559 -2.927 5.861 1.00 0.85 C ATOM 1349 O ASP A 89 9.228 -3.913 5.551 1.00 1.24 O ATOM 1350 CB ASP A 89 10.525 -1.481 6.417 1.00 1.44 C ATOM 1351 CG ASP A 89 10.524 -1.980 7.852 1.00 1.68 C ATOM 1352 OD1 ASP A 89 9.644 -1.554 8.630 1.00 1.90 O ATOM 1353 OD2 ASP A 89 11.389 -2.810 8.208 1.00 2.01 O ATOM 0 H ASP A 89 8.113 -0.678 7.364 1.00 0.56 H new ATOM 0 HA ASP A 89 9.258 -1.271 4.701 1.00 0.93 H new ATOM 0 HB2 ASP A 89 11.221 -2.082 5.832 1.00 1.44 H new ATOM 0 HB3 ASP A 89 10.895 -0.456 6.397 1.00 1.44 H new ATOM 1358 N ASP A 90 7.303 -3.003 6.293 1.00 0.48 N ATOM 1359 CA ASP A 90 6.609 -4.281 6.408 1.00 0.46 C ATOM 1360 C ASP A 90 6.457 -4.898 5.031 1.00 0.45 C ATOM 1361 O ASP A 90 6.583 -6.109 4.846 1.00 0.69 O ATOM 1362 CB ASP A 90 5.220 -4.101 7.029 1.00 0.52 C ATOM 1363 CG ASP A 90 4.580 -5.417 7.411 1.00 0.74 C ATOM 1364 OD1 ASP A 90 4.810 -5.874 8.546 1.00 0.93 O ATOM 1365 OD2 ASP A 90 3.868 -6.007 6.571 1.00 1.09 O ATOM 0 H ASP A 90 6.746 -2.194 6.569 1.00 0.48 H new ATOM 0 HA ASP A 90 7.198 -4.932 7.053 1.00 0.46 H new ATOM 0 HB2 ASP A 90 5.301 -3.470 7.914 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.575 -3.579 6.323 1.00 0.52 H new ATOM 1370 N GLY A 91 6.210 -4.035 4.058 1.00 0.36 N ATOM 1371 CA GLY A 91 5.998 -4.481 2.708 1.00 0.36 C ATOM 1372 C GLY A 91 4.590 -4.976 2.508 1.00 0.35 C ATOM 1373 O GLY A 91 3.646 -4.195 2.536 1.00 0.52 O ATOM 0 H GLY A 91 6.153 -3.025 4.187 1.00 0.36 H new ATOM 0 HA2 GLY A 91 6.199 -3.662 2.017 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.703 -5.278 2.472 1.00 0.36 H new ATOM 1377 N VAL A 92 4.449 -6.273 2.341 1.00 0.38 N ATOM 1378 CA VAL A 92 3.180 -6.875 2.039 1.00 0.37 C ATOM 1379 C VAL A 92 2.880 -8.020 3.009 1.00 0.36 C ATOM 1380 O VAL A 92 3.556 -9.049 2.994 1.00 0.47 O ATOM 1381 CB VAL A 92 3.208 -7.384 0.586 1.00 0.47 C ATOM 1382 CG1 VAL A 92 2.038 -8.282 0.312 1.00 1.08 C ATOM 1383 CG2 VAL A 92 3.223 -6.222 -0.393 1.00 1.06 C ATOM 0 H VAL A 92 5.219 -6.938 2.412 1.00 0.38 H new ATOM 0 HA VAL A 92 2.388 -6.134 2.151 1.00 0.37 H new ATOM 0 HB VAL A 92 4.123 -7.961 0.451 1.00 0.47 H new ATOM 0 HG11 VAL A 92 2.080 -8.629 -0.720 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.072 -9.139 0.984 1.00 1.08 H new ATOM 0 HG13 VAL A 92 1.111 -7.731 0.473 1.00 1.08 H new ATOM 0 HG21 VAL A 92 3.243 -6.606 -1.413 1.00 1.06 H new ATOM 0 HG22 VAL A 92 2.329 -5.615 -0.251 1.00 1.06 H new ATOM 0 HG23 VAL A 92 4.108 -5.610 -0.218 1.00 1.06 H new ATOM 1393 N MET A 93 1.890 -7.815 3.876 1.00 0.29 N ATOM 1394 CA MET A 93 1.415 -8.862 4.779 1.00 0.31 C ATOM 1395 C MET A 93 0.585 -9.886 4.008 1.00 0.31 C ATOM 1396 O MET A 93 0.288 -9.672 2.832 1.00 0.31 O ATOM 1397 CB MET A 93 0.564 -8.250 5.900 1.00 0.36 C ATOM 1398 CG MET A 93 1.376 -7.574 6.988 1.00 0.67 C ATOM 1399 SD MET A 93 2.199 -8.747 8.087 1.00 1.32 S ATOM 1400 CE MET A 93 0.792 -9.482 8.919 1.00 0.65 C ATOM 0 H MET A 93 1.398 -6.927 3.972 1.00 0.29 H new ATOM 0 HA MET A 93 2.280 -9.359 5.218 1.00 0.31 H new ATOM 0 HB2 MET A 93 -0.122 -7.522 5.466 1.00 0.36 H new ATOM 0 HB3 MET A 93 -0.046 -9.034 6.349 1.00 0.36 H new ATOM 0 HG2 MET A 93 2.125 -6.930 6.527 1.00 0.67 H new ATOM 0 HG3 MET A 93 0.721 -6.932 7.576 1.00 0.67 H new ATOM 0 HE1 MET A 93 0.764 -9.144 9.955 1.00 0.65 H new ATOM 0 HE2 MET A 93 -0.126 -9.182 8.414 1.00 0.65 H new ATOM 0 HE3 MET A 93 0.881 -10.568 8.895 1.00 0.65 H new ATOM 1410 N PRO A 94 0.219 -11.020 4.638 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.664 -12.013 4.025 1.00 0.42 C ATOM 1412 C PRO A 94 -1.877 -11.384 3.348 1.00 0.39 C ATOM 1413 O PRO A 94 -2.138 -11.631 2.168 1.00 0.42 O ATOM 1414 CB PRO A 94 -1.094 -12.871 5.211 1.00 0.52 C ATOM 1415 CG PRO A 94 0.054 -12.809 6.156 1.00 0.61 C ATOM 1416 CD PRO A 94 0.675 -11.447 5.978 1.00 0.46 C ATOM 0 HA PRO A 94 -0.165 -12.570 3.232 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -2.005 -12.486 5.669 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -1.300 -13.896 4.904 1.00 0.52 H new ATOM 0 HG2 PRO A 94 -0.280 -12.953 7.184 1.00 0.61 H new ATOM 0 HG3 PRO A 94 0.776 -13.597 5.942 1.00 0.61 H new ATOM 0 HD2 PRO A 94 0.345 -10.754 6.752 1.00 0.46 H new ATOM 0 HD3 PRO A 94 1.763 -11.494 6.034 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.596 -10.542 4.085 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.783 -9.895 3.566 1.00 0.43 C ATOM 1426 C GLN A 95 -3.450 -9.010 2.370 1.00 0.36 C ATOM 1427 O GLN A 95 -4.241 -8.898 1.434 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.460 -9.068 4.657 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.765 -9.861 5.915 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.917 -9.266 6.706 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -6.817 -8.638 6.141 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -5.906 -9.465 8.013 1.00 1.47 N ATOM 0 H GLN A 95 -2.370 -10.295 5.049 1.00 0.40 H new ATOM 0 HA GLN A 95 -4.469 -10.674 3.233 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.818 -8.226 4.915 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.388 -8.653 4.264 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -5.006 -10.889 5.644 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.875 -9.897 6.544 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -5.144 -9.990 8.443 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -6.660 -9.094 8.592 1.00 1.47 H new ATOM 1441 N THR A 96 -2.269 -8.397 2.398 1.00 0.33 N ATOM 1442 CA THR A 96 -1.837 -7.520 1.326 1.00 0.31 C ATOM 1443 C THR A 96 -1.666 -8.304 0.017 1.00 0.29 C ATOM 1444 O THR A 96 -1.793 -7.751 -1.076 1.00 0.34 O ATOM 1445 CB THR A 96 -0.526 -6.820 1.716 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.571 -6.465 3.105 1.00 0.37 O ATOM 1447 CG2 THR A 96 -0.310 -5.565 0.890 1.00 0.46 C ATOM 0 H THR A 96 -1.595 -8.496 3.157 1.00 0.33 H new ATOM 0 HA THR A 96 -2.603 -6.762 1.165 1.00 0.31 H new ATOM 0 HB THR A 96 0.299 -7.507 1.527 1.00 0.34 H new ATOM 0 HG1 THR A 96 -1.092 -5.642 3.216 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.625 -5.090 1.187 1.00 0.46 H new ATOM 0 HG22 THR A 96 -0.263 -5.828 -0.167 1.00 0.46 H new ATOM 0 HG23 THR A 96 -1.136 -4.874 1.055 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.399 -9.602 0.132 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.304 -10.469 -1.022 1.00 0.39 C ATOM 1457 C VAL A 97 -2.674 -10.993 -1.406 1.00 0.34 C ATOM 1458 O VAL A 97 -3.053 -10.942 -2.568 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.389 -11.670 -0.742 1.00 0.60 C ATOM 1460 CG1 VAL A 97 -0.422 -12.648 -1.891 1.00 1.00 C ATOM 1461 CG2 VAL A 97 1.019 -11.208 -0.496 1.00 1.05 C ATOM 0 H VAL A 97 -1.245 -10.073 1.024 1.00 0.33 H new ATOM 0 HA VAL A 97 -0.886 -9.877 -1.836 1.00 0.39 H new ATOM 0 HB VAL A 97 -0.755 -12.176 0.151 1.00 0.60 H new ATOM 0 HG11 VAL A 97 0.233 -13.491 -1.671 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -1.441 -13.008 -2.033 1.00 1.00 H new ATOM 0 HG13 VAL A 97 -0.082 -12.152 -2.801 1.00 1.00 H new ATOM 0 HG21 VAL A 97 1.656 -12.070 -0.299 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.387 -10.678 -1.375 1.00 1.05 H new ATOM 0 HG23 VAL A 97 1.037 -10.539 0.365 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.411 -11.490 -0.419 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.728 -12.076 -0.656 1.00 0.40 C ATOM 1473 C GLU A 98 -5.680 -11.065 -1.276 1.00 0.34 C ATOM 1474 O GLU A 98 -6.633 -11.433 -1.954 1.00 0.45 O ATOM 1475 CB GLU A 98 -5.327 -12.600 0.646 1.00 0.54 C ATOM 1476 CG GLU A 98 -4.489 -13.670 1.314 1.00 0.72 C ATOM 1477 CD GLU A 98 -5.190 -14.291 2.501 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -5.271 -13.637 3.560 1.00 1.62 O ATOM 1479 OE2 GLU A 98 -5.677 -15.435 2.375 1.00 1.55 O ATOM 0 H GLU A 98 -3.118 -11.499 0.558 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.594 -12.904 -1.352 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.456 -11.767 1.337 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -6.320 -13.002 0.443 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -4.251 -14.447 0.588 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -3.543 -13.237 1.639 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.401 -9.792 -1.058 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.233 -8.735 -1.593 1.00 0.27 C ATOM 1488 C ALA A 99 -5.894 -8.527 -3.054 1.00 0.25 C ATOM 1489 O ALA A 99 -6.769 -8.355 -3.896 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.037 -7.452 -0.800 1.00 0.31 C ATOM 0 H ALA A 99 -4.602 -9.467 -0.513 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.282 -9.019 -1.509 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -6.670 -6.667 -1.215 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.308 -7.623 0.242 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -4.993 -7.145 -0.858 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.609 -8.593 -3.349 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.126 -8.480 -4.709 1.00 0.24 C ATOM 1498 C ILE A 100 -4.461 -9.738 -5.491 1.00 0.28 C ATOM 1499 O ILE A 100 -5.123 -9.667 -6.508 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.616 -8.209 -4.696 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.359 -6.709 -4.804 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.865 -8.977 -5.773 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -0.897 -6.338 -4.784 1.00 0.38 C ATOM 0 H ILE A 100 -3.874 -8.726 -2.654 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.619 -7.644 -5.205 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.227 -8.573 -3.745 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.805 -6.339 -5.727 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -2.864 -6.203 -3.981 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.802 -8.743 -5.712 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -2.010 -10.047 -5.625 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.244 -8.692 -6.754 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -0.795 -5.256 -4.865 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.449 -6.676 -3.850 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.389 -6.814 -5.623 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.018 -10.883 -4.988 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.347 -12.181 -5.545 1.00 0.38 C ATOM 1517 C ASN A 101 -5.825 -12.282 -5.886 1.00 0.37 C ATOM 1518 O ASN A 101 -6.211 -12.925 -6.862 1.00 0.46 O ATOM 1519 CB ASN A 101 -3.994 -13.255 -4.524 1.00 0.46 C ATOM 1520 CG ASN A 101 -3.701 -14.573 -5.178 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -4.587 -15.400 -5.384 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -2.446 -14.772 -5.515 1.00 1.55 N ATOM 0 H ASN A 101 -3.411 -10.933 -4.170 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.778 -12.318 -6.465 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -3.127 -12.936 -3.946 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -4.819 -13.374 -3.822 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -2.172 -15.643 -5.969 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -1.747 -14.055 -5.323 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.649 -11.636 -5.083 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.077 -11.653 -5.300 1.00 0.38 C ATOM 1531 C HIS A 102 -8.497 -10.594 -6.311 1.00 0.38 C ATOM 1532 O HIS A 102 -9.411 -10.819 -7.102 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.812 -11.429 -3.986 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.227 -11.896 -4.022 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -10.633 -13.099 -3.489 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.331 -11.328 -4.551 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -11.924 -13.254 -3.692 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.374 -12.193 -4.334 1.00 0.77 N ATOM 0 H HIS A 102 -6.350 -11.093 -4.273 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.341 -12.632 -5.701 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.284 -11.950 -3.187 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.792 -10.367 -3.742 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.384 -10.372 -5.051 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -12.514 -14.105 -3.385 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.340 -12.040 -4.622 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.826 -9.450 -6.301 1.00 0.32 N ATOM 1548 CA ALA A 103 -8.272 -8.318 -7.105 1.00 0.38 C ATOM 1549 C ALA A 103 -7.618 -8.287 -8.483 1.00 0.40 C ATOM 1550 O ALA A 103 -8.216 -7.821 -9.453 1.00 0.48 O ATOM 1551 CB ALA A 103 -8.002 -7.013 -6.373 1.00 0.43 C ATOM 0 H ALA A 103 -6.982 -9.281 -5.753 1.00 0.32 H new ATOM 0 HA ALA A 103 -9.345 -8.438 -7.257 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -8.340 -6.176 -6.984 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -8.540 -7.010 -5.425 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.933 -6.916 -6.184 1.00 0.43 H new ATOM 1557 N LYS A 104 -6.407 -8.821 -8.583 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.597 -8.656 -9.768 1.00 0.51 C ATOM 1559 C LYS A 104 -6.077 -9.571 -10.889 1.00 0.50 C ATOM 1560 O LYS A 104 -5.676 -9.422 -12.041 1.00 0.60 O ATOM 1561 CB LYS A 104 -4.112 -8.903 -9.411 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.764 -10.320 -8.950 1.00 1.11 C ATOM 1563 CD LYS A 104 -3.686 -11.305 -10.098 1.00 1.57 C ATOM 1564 CE LYS A 104 -2.610 -10.906 -11.097 1.00 1.92 C ATOM 1565 NZ LYS A 104 -2.419 -11.923 -12.161 1.00 2.56 N ATOM 0 H LYS A 104 -5.968 -9.375 -7.848 1.00 0.40 H new ATOM 0 HA LYS A 104 -5.696 -7.635 -10.137 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -3.504 -8.666 -10.284 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.826 -8.205 -8.624 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -2.809 -10.303 -8.426 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -4.514 -10.660 -8.235 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -3.474 -12.302 -9.711 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -4.651 -11.357 -10.601 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -2.877 -9.953 -11.553 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -1.668 -10.754 -10.570 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 -1.676 -11.605 -12.816 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -2.137 -12.827 -11.731 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -3.309 -12.051 -12.683 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.964 -10.504 -10.554 1.00 0.51 N ATOM 1580 CA ALA A 105 -7.397 -11.504 -11.517 1.00 0.61 C ATOM 1581 C ALA A 105 -8.649 -11.069 -12.262 1.00 0.66 C ATOM 1582 O ALA A 105 -9.137 -11.776 -13.145 1.00 0.76 O ATOM 1583 CB ALA A 105 -7.605 -12.851 -10.840 1.00 0.72 C ATOM 0 H ALA A 105 -7.392 -10.586 -9.632 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.603 -11.610 -12.256 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.929 -13.584 -11.579 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -6.669 -13.180 -10.389 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -8.367 -12.756 -10.066 1.00 0.72 H new ATOM 1589 N ALA A 106 -9.160 -9.904 -11.915 1.00 0.62 N ATOM 1590 CA ALA A 106 -10.222 -9.292 -12.689 1.00 0.70 C ATOM 1591 C ALA A 106 -9.588 -8.309 -13.656 1.00 0.72 C ATOM 1592 O ALA A 106 -10.266 -7.525 -14.323 1.00 0.90 O ATOM 1593 CB ALA A 106 -11.235 -8.612 -11.781 1.00 0.75 C ATOM 0 H ALA A 106 -8.858 -9.363 -11.104 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.769 -10.052 -13.247 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -12.021 -8.161 -12.386 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.673 -9.349 -11.108 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.738 -7.838 -11.197 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.253 -8.375 -13.697 1.00 0.67 N ATOM 1600 CA ASN A 107 -7.431 -7.549 -14.570 1.00 0.73 C ATOM 1601 C ASN A 107 -7.589 -6.081 -14.215 1.00 0.67 C ATOM 1602 O ASN A 107 -7.524 -5.208 -15.080 1.00 0.80 O ATOM 1603 CB ASN A 107 -7.781 -7.799 -16.024 1.00 0.92 C ATOM 1604 CG ASN A 107 -6.590 -7.649 -16.963 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -5.685 -6.730 -16.659 1.00 1.99 O flip ATOM 1606 ND2 ASN A 107 -6.494 -8.350 -17.969 1.00 2.06 N flip ATOM 0 H ASN A 107 -7.712 -9.014 -13.115 1.00 0.67 H new ATOM 0 HA ASN A 107 -6.386 -7.822 -14.424 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -8.190 -8.804 -16.125 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -8.564 -7.104 -16.327 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -7.208 -9.049 -18.174 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -5.700 -8.233 -18.598 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.794 -5.819 -12.935 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.954 -4.455 -12.460 1.00 0.49 C ATOM 1615 C VAL A 108 -6.611 -3.882 -12.036 1.00 0.40 C ATOM 1616 O VAL A 108 -5.661 -4.626 -11.770 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.933 -4.361 -11.264 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -9.893 -5.537 -11.235 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.186 -4.222 -9.942 1.00 1.08 C ATOM 0 H VAL A 108 -7.853 -6.531 -12.207 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.368 -3.881 -13.289 1.00 0.49 H new ATOM 0 HB VAL A 108 -9.528 -3.458 -11.402 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -10.565 -5.437 -10.382 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -10.476 -5.554 -12.156 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -9.329 -6.465 -11.146 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -8.903 -4.159 -9.124 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.543 -5.090 -9.794 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -7.577 -3.318 -9.961 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.509 -2.552 -12.007 1.00 0.39 N ATOM 1630 CA PRO A 109 -5.364 -1.868 -11.437 1.00 0.35 C ATOM 1631 C PRO A 109 -5.324 -1.938 -9.921 1.00 0.30 C ATOM 1632 O PRO A 109 -6.352 -1.874 -9.232 1.00 0.34 O ATOM 1633 CB PRO A 109 -5.535 -0.415 -11.833 1.00 0.43 C ATOM 1634 CG PRO A 109 -6.671 -0.369 -12.784 1.00 0.51 C ATOM 1635 CD PRO A 109 -7.480 -1.618 -12.576 1.00 0.48 C ATOM 0 HA PRO A 109 -4.445 -2.330 -11.798 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.736 0.204 -10.959 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -4.626 -0.029 -12.295 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -7.281 0.517 -12.611 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -6.310 -0.312 -13.811 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -8.318 -1.447 -11.901 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.896 -1.990 -13.513 1.00 0.48 H new ATOM 1643 N ILE A 110 -4.116 -1.980 -9.420 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.872 -2.076 -7.992 1.00 0.25 C ATOM 1645 C ILE A 110 -3.066 -0.870 -7.537 1.00 0.23 C ATOM 1646 O ILE A 110 -2.194 -0.386 -8.259 1.00 0.26 O ATOM 1647 CB ILE A 110 -3.145 -3.397 -7.601 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -4.151 -4.533 -7.372 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.278 -3.219 -6.358 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -4.764 -5.092 -8.635 1.00 0.96 C ATOM 0 H ILE A 110 -3.268 -1.949 -9.986 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.838 -2.089 -7.487 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.496 -3.660 -8.436 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -3.652 -5.341 -6.837 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -4.950 -4.169 -6.726 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -1.788 -4.163 -6.118 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -1.523 -2.456 -6.547 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -2.903 -2.911 -5.520 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -5.462 -5.889 -8.379 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -5.296 -4.300 -9.163 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -3.977 -5.490 -9.276 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.376 -0.368 -6.357 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.707 0.804 -5.833 1.00 0.25 C ATOM 1664 C ILE A 111 -1.971 0.426 -4.584 1.00 0.32 C ATOM 1665 O ILE A 111 -2.304 -0.552 -3.953 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.723 1.905 -5.502 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.582 2.199 -6.714 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -3.042 3.173 -5.014 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.924 2.706 -6.308 1.00 0.53 C ATOM 0 H ILE A 111 -4.091 -0.757 -5.742 1.00 0.23 H new ATOM 0 HA ILE A 111 -2.014 1.181 -6.585 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.356 1.543 -4.692 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.086 2.937 -7.345 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -4.697 1.294 -7.311 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.796 3.928 -4.790 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.469 2.954 -4.113 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.372 3.547 -5.788 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -6.521 2.909 -7.197 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -6.427 1.956 -5.697 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -5.807 3.624 -5.732 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.957 1.172 -4.255 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.236 0.968 -3.048 1.00 0.20 C ATOM 1683 C VAL A 112 -0.294 2.214 -2.212 1.00 0.20 C ATOM 1684 O VAL A 112 -0.179 3.320 -2.730 1.00 0.23 O ATOM 1685 CB VAL A 112 1.219 0.661 -3.345 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.727 -0.357 -2.384 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.375 0.161 -4.764 1.00 0.22 C ATOM 0 H VAL A 112 -0.610 1.943 -4.826 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.686 0.129 -2.516 1.00 0.20 H new ATOM 0 HB VAL A 112 1.800 1.577 -3.236 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.773 -0.574 -2.602 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.640 0.027 -1.368 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.140 -1.271 -2.478 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.425 -0.055 -4.960 1.00 0.22 H new ATOM 0 HG22 VAL A 112 0.787 -0.747 -4.896 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.025 0.924 -5.459 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.469 2.039 -0.934 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.410 3.142 -0.021 1.00 0.21 C ATOM 1699 C ALA A 113 0.625 2.824 1.021 1.00 0.21 C ATOM 1700 O ALA A 113 0.325 2.232 2.051 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.767 3.396 0.611 1.00 0.25 C ATOM 0 H ALA A 113 -0.655 1.135 -0.499 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.134 4.054 -0.550 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.696 4.238 1.300 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.494 3.625 -0.168 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.087 2.508 1.156 1.00 0.25 H new ATOM 1707 N ILE A 114 1.850 3.191 0.713 1.00 0.21 N ATOM 1708 CA ILE A 114 2.963 3.018 1.627 1.00 0.24 C ATOM 1709 C ILE A 114 2.813 3.950 2.824 1.00 0.25 C ATOM 1710 O ILE A 114 3.286 5.082 2.789 1.00 0.30 O ATOM 1711 CB ILE A 114 4.297 3.312 0.915 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.373 2.567 -0.422 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.450 2.911 1.805 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.636 2.858 -1.209 1.00 0.85 C ATOM 0 H ILE A 114 2.105 3.618 -0.178 1.00 0.21 H new ATOM 0 HA ILE A 114 2.963 1.984 1.972 1.00 0.24 H new ATOM 0 HB ILE A 114 4.357 4.381 0.712 1.00 0.28 H new ATOM 0 HG12 ILE A 114 4.311 1.495 -0.235 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.508 2.836 -1.028 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.392 3.121 1.297 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.405 3.477 2.735 1.00 0.36 H new ATOM 0 HG23 ILE A 114 5.386 1.845 2.025 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.620 2.296 -2.143 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.691 3.924 -1.428 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.506 2.563 -0.623 1.00 0.85 H new ATOM 1726 N ASN A 115 2.152 3.472 3.872 1.00 0.26 N ATOM 1727 CA ASN A 115 1.807 4.310 5.012 1.00 0.31 C ATOM 1728 C ASN A 115 3.009 4.470 5.943 1.00 0.37 C ATOM 1729 O ASN A 115 3.899 3.615 5.961 1.00 0.39 O ATOM 1730 CB ASN A 115 0.614 3.692 5.753 1.00 0.39 C ATOM 1731 CG ASN A 115 0.101 4.532 6.910 1.00 0.47 C ATOM 1732 OD1 ASN A 115 0.234 5.760 6.926 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -0.517 3.869 7.877 1.00 0.69 N ATOM 0 H ASN A 115 1.843 2.503 3.955 1.00 0.26 H new ATOM 0 HA ASN A 115 1.528 5.303 4.661 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.199 3.534 5.044 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.903 2.711 6.130 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -0.905 4.374 8.674 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -0.605 2.854 7.824 1.00 0.69 H new ATOM 1740 N LYS A 116 3.024 5.569 6.700 1.00 0.49 N ATOM 1741 CA LYS A 116 4.130 5.907 7.602 1.00 0.62 C ATOM 1742 C LYS A 116 5.412 6.171 6.818 1.00 0.57 C ATOM 1743 O LYS A 116 6.517 5.915 7.296 1.00 0.67 O ATOM 1744 CB LYS A 116 4.361 4.804 8.647 1.00 0.78 C ATOM 1745 CG LYS A 116 3.261 4.703 9.691 1.00 1.15 C ATOM 1746 CD LYS A 116 3.585 3.633 10.722 1.00 1.50 C ATOM 1747 CE LYS A 116 2.583 3.617 11.867 1.00 2.05 C ATOM 1748 NZ LYS A 116 1.203 3.307 11.411 1.00 2.61 N ATOM 0 H LYS A 116 2.267 6.253 6.706 1.00 0.49 H new ATOM 0 HA LYS A 116 3.852 6.819 8.130 1.00 0.62 H new ATOM 0 HB2 LYS A 116 4.452 3.846 8.135 1.00 0.78 H new ATOM 0 HB3 LYS A 116 5.310 4.987 9.150 1.00 0.78 H new ATOM 0 HG2 LYS A 116 3.136 5.665 10.187 1.00 1.15 H new ATOM 0 HG3 LYS A 116 2.314 4.470 9.205 1.00 1.15 H new ATOM 0 HD2 LYS A 116 3.597 2.656 10.238 1.00 1.50 H new ATOM 0 HD3 LYS A 116 4.585 3.804 11.119 1.00 1.50 H new ATOM 0 HE2 LYS A 116 2.893 2.878 12.606 1.00 2.05 H new ATOM 0 HE3 LYS A 116 2.589 4.587 12.364 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 0.568 3.258 12.233 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 0.875 4.053 10.765 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 1.198 2.393 10.915 1.00 2.61 H new ATOM 1762 N MET A 117 5.253 6.709 5.619 1.00 0.58 N ATOM 1763 CA MET A 117 6.378 7.013 4.758 1.00 0.69 C ATOM 1764 C MET A 117 6.950 8.392 5.092 1.00 0.81 C ATOM 1765 O MET A 117 8.049 8.749 4.663 1.00 1.03 O ATOM 1766 CB MET A 117 5.924 6.892 3.300 1.00 0.85 C ATOM 1767 CG MET A 117 6.557 7.871 2.331 1.00 0.81 C ATOM 1768 SD MET A 117 8.271 7.472 1.918 1.00 1.37 S ATOM 1769 CE MET A 117 8.087 5.850 1.181 1.00 0.65 C ATOM 0 H MET A 117 4.345 6.945 5.220 1.00 0.58 H new ATOM 0 HA MET A 117 7.189 6.302 4.919 1.00 0.69 H new ATOM 0 HB2 MET A 117 6.136 5.880 2.956 1.00 0.85 H new ATOM 0 HB3 MET A 117 4.842 7.021 3.264 1.00 0.85 H new ATOM 0 HG2 MET A 117 5.967 7.895 1.415 1.00 0.81 H new ATOM 0 HG3 MET A 117 6.519 8.872 2.761 1.00 0.81 H new ATOM 0 HE1 MET A 117 8.648 5.120 1.764 1.00 0.65 H new ATOM 0 HE2 MET A 117 7.033 5.573 1.170 1.00 0.65 H new ATOM 0 HE3 MET A 117 8.468 5.869 0.160 1.00 0.65 H new ATOM 1779 N ASP A 118 6.218 9.152 5.901 1.00 0.84 N ATOM 1780 CA ASP A 118 6.731 10.416 6.423 1.00 1.06 C ATOM 1781 C ASP A 118 7.830 10.137 7.441 1.00 1.10 C ATOM 1782 O ASP A 118 8.546 11.041 7.875 1.00 1.49 O ATOM 1783 CB ASP A 118 5.617 11.251 7.068 1.00 1.25 C ATOM 1784 CG ASP A 118 5.175 10.722 8.422 1.00 1.61 C ATOM 1785 OD1 ASP A 118 4.389 9.753 8.461 1.00 2.45 O ATOM 1786 OD2 ASP A 118 5.596 11.290 9.454 1.00 1.73 O ATOM 0 H ASP A 118 5.274 8.918 6.208 1.00 0.84 H new ATOM 0 HA ASP A 118 7.137 10.990 5.590 1.00 1.06 H new ATOM 0 HB2 ASP A 118 5.963 12.278 7.183 1.00 1.25 H new ATOM 0 HB3 ASP A 118 4.758 11.277 6.398 1.00 1.25 H new ATOM 1791 N LYS A 119 7.956 8.872 7.813 1.00 1.11 N ATOM 1792 CA LYS A 119 8.980 8.434 8.741 1.00 1.34 C ATOM 1793 C LYS A 119 9.977 7.517 8.028 1.00 1.43 C ATOM 1794 O LYS A 119 9.651 6.893 7.019 1.00 1.78 O ATOM 1795 CB LYS A 119 8.343 7.691 9.913 1.00 1.81 C ATOM 1796 CG LYS A 119 7.368 8.527 10.728 1.00 1.99 C ATOM 1797 CD LYS A 119 6.882 7.771 11.958 1.00 2.61 C ATOM 1798 CE LYS A 119 7.833 7.911 13.145 1.00 3.15 C ATOM 1799 NZ LYS A 119 9.236 7.531 12.818 1.00 3.70 N ATOM 0 H LYS A 119 7.350 8.123 7.479 1.00 1.11 H new ATOM 0 HA LYS A 119 9.508 9.310 9.119 1.00 1.34 H new ATOM 0 HB2 LYS A 119 7.821 6.814 9.531 1.00 1.81 H new ATOM 0 HB3 LYS A 119 9.133 7.330 10.572 1.00 1.81 H new ATOM 0 HG2 LYS A 119 7.851 9.454 11.036 1.00 1.99 H new ATOM 0 HG3 LYS A 119 6.515 8.802 10.108 1.00 1.99 H new ATOM 0 HD2 LYS A 119 5.896 8.140 12.241 1.00 2.61 H new ATOM 0 HD3 LYS A 119 6.768 6.716 11.710 1.00 2.61 H new ATOM 0 HE2 LYS A 119 7.815 8.942 13.498 1.00 3.15 H new ATOM 0 HE3 LYS A 119 7.476 7.288 13.965 1.00 3.15 H new ATOM 0 HZ1 LYS A 119 9.761 7.351 13.698 1.00 3.70 H new ATOM 0 HZ2 LYS A 119 9.235 6.671 12.233 1.00 3.70 H new ATOM 0 HZ3 LYS A 119 9.693 8.305 12.295 1.00 3.70 H new ATOM 1813 N PRO A 120 11.213 7.442 8.554 1.00 1.71 N ATOM 1814 CA PRO A 120 12.319 6.661 7.964 1.00 2.15 C ATOM 1815 C PRO A 120 12.048 5.162 7.838 1.00 2.06 C ATOM 1816 O PRO A 120 12.836 4.437 7.229 1.00 2.57 O ATOM 1817 CB PRO A 120 13.474 6.857 8.945 1.00 2.65 C ATOM 1818 CG PRO A 120 12.863 7.390 10.192 1.00 2.67 C ATOM 1819 CD PRO A 120 11.646 8.151 9.768 1.00 2.11 C ATOM 0 HA PRO A 120 12.500 7.005 6.946 1.00 2.15 H new ATOM 0 HB2 PRO A 120 13.990 5.916 9.134 1.00 2.65 H new ATOM 0 HB3 PRO A 120 14.213 7.551 8.545 1.00 2.65 H new ATOM 0 HG2 PRO A 120 12.599 6.581 10.873 1.00 2.67 H new ATOM 0 HG3 PRO A 120 13.562 8.037 10.722 1.00 2.67 H new ATOM 0 HD2 PRO A 120 10.875 8.139 10.538 1.00 2.11 H new ATOM 0 HD3 PRO A 120 11.876 9.197 9.563 1.00 2.11 H new ATOM 1827 N GLU A 121 10.955 4.702 8.426 1.00 1.72 N ATOM 1828 CA GLU A 121 10.619 3.288 8.423 1.00 1.80 C ATOM 1829 C GLU A 121 10.391 2.803 7.007 1.00 1.43 C ATOM 1830 O GLU A 121 10.770 1.687 6.656 1.00 2.12 O ATOM 1831 CB GLU A 121 9.360 2.999 9.247 1.00 2.45 C ATOM 1832 CG GLU A 121 8.689 4.222 9.846 1.00 2.79 C ATOM 1833 CD GLU A 121 9.279 4.610 11.181 1.00 3.60 C ATOM 1834 OE1 GLU A 121 8.905 4.004 12.201 1.00 4.03 O ATOM 1835 OE2 GLU A 121 10.129 5.519 11.213 1.00 3.92 O ATOM 0 H GLU A 121 10.282 5.292 8.914 1.00 1.72 H new ATOM 0 HA GLU A 121 11.461 2.761 8.872 1.00 1.80 H new ATOM 0 HB2 GLU A 121 8.640 2.482 8.613 1.00 2.45 H new ATOM 0 HB3 GLU A 121 9.622 2.315 10.054 1.00 2.45 H new ATOM 0 HG2 GLU A 121 8.782 5.059 9.154 1.00 2.79 H new ATOM 0 HG3 GLU A 121 7.624 4.025 9.967 1.00 2.79 H new ATOM 1842 N ALA A 122 9.767 3.643 6.196 1.00 0.99 N ATOM 1843 CA ALA A 122 9.421 3.255 4.851 1.00 1.09 C ATOM 1844 C ALA A 122 10.657 3.110 3.968 1.00 0.90 C ATOM 1845 O ALA A 122 11.537 3.972 3.963 1.00 1.24 O ATOM 1846 CB ALA A 122 8.451 4.251 4.250 1.00 1.47 C ATOM 0 H ALA A 122 9.494 4.592 6.450 1.00 0.99 H new ATOM 0 HA ALA A 122 8.940 2.278 4.901 1.00 1.09 H new ATOM 0 HB1 ALA A 122 8.198 3.946 3.235 1.00 1.47 H new ATOM 0 HB2 ALA A 122 7.545 4.286 4.854 1.00 1.47 H new ATOM 0 HB3 ALA A 122 8.911 5.239 4.228 1.00 1.47 H new ATOM 1852 N ASN A 123 10.716 2.010 3.226 1.00 0.59 N ATOM 1853 CA ASN A 123 11.807 1.768 2.281 1.00 0.57 C ATOM 1854 C ASN A 123 11.246 1.478 0.909 1.00 0.46 C ATOM 1855 O ASN A 123 10.976 0.331 0.555 1.00 0.52 O ATOM 1856 CB ASN A 123 12.700 0.613 2.753 1.00 0.85 C ATOM 1857 CG ASN A 123 13.984 0.473 1.939 1.00 1.28 C ATOM 1858 OD1 ASN A 123 14.045 0.835 0.762 1.00 1.77 O ATOM 1859 ND2 ASN A 123 15.019 -0.068 2.561 1.00 1.84 N ATOM 0 H ASN A 123 10.019 1.266 3.259 1.00 0.59 H new ATOM 0 HA ASN A 123 12.423 2.666 2.229 1.00 0.57 H new ATOM 0 HB2 ASN A 123 12.957 0.766 3.801 1.00 0.85 H new ATOM 0 HB3 ASN A 123 12.138 -0.319 2.696 1.00 0.85 H new ATOM 0 HD21 ASN A 123 15.901 -0.196 2.066 1.00 1.84 H new ATOM 0 HD22 ASN A 123 14.934 -0.357 3.536 1.00 1.84 H new ATOM 1866 N PRO A 124 11.039 2.568 0.161 1.00 0.41 N ATOM 1867 CA PRO A 124 10.591 2.590 -1.222 1.00 0.47 C ATOM 1868 C PRO A 124 10.797 1.296 -2.012 1.00 0.42 C ATOM 1869 O PRO A 124 9.877 0.487 -2.120 1.00 0.40 O ATOM 1870 CB PRO A 124 11.496 3.698 -1.716 1.00 0.66 C ATOM 1871 CG PRO A 124 11.334 4.736 -0.669 1.00 0.70 C ATOM 1872 CD PRO A 124 11.265 3.958 0.623 1.00 0.46 C ATOM 0 HA PRO A 124 9.515 2.723 -1.334 1.00 0.47 H new ATOM 0 HB2 PRO A 124 12.531 3.368 -1.803 1.00 0.66 H new ATOM 0 HB3 PRO A 124 11.193 4.062 -2.698 1.00 0.66 H new ATOM 0 HG2 PRO A 124 12.171 5.434 -0.668 1.00 0.70 H new ATOM 0 HG3 PRO A 124 10.430 5.323 -0.828 1.00 0.70 H new ATOM 0 HD2 PRO A 124 12.186 4.048 1.198 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.455 4.308 1.263 1.00 0.46 H new ATOM 1880 N ASP A 125 12.008 1.097 -2.520 1.00 0.45 N ATOM 1881 CA ASP A 125 12.320 -0.010 -3.435 1.00 0.45 C ATOM 1882 C ASP A 125 11.942 -1.356 -2.856 1.00 0.38 C ATOM 1883 O ASP A 125 11.346 -2.175 -3.546 1.00 0.33 O ATOM 1884 CB ASP A 125 13.805 -0.012 -3.739 1.00 0.56 C ATOM 1885 CG ASP A 125 14.244 -1.220 -4.537 1.00 1.16 C ATOM 1886 OD1 ASP A 125 14.053 -1.229 -5.769 1.00 1.28 O ATOM 1887 OD2 ASP A 125 14.796 -2.166 -3.935 1.00 2.00 O ATOM 0 H ASP A 125 12.807 1.696 -2.312 1.00 0.45 H new ATOM 0 HA ASP A 125 11.736 0.145 -4.342 1.00 0.45 H new ATOM 0 HB2 ASP A 125 14.058 0.893 -4.291 1.00 0.56 H new ATOM 0 HB3 ASP A 125 14.362 0.020 -2.803 1.00 0.56 H new ATOM 1892 N ARG A 126 12.309 -1.585 -1.602 1.00 0.40 N ATOM 1893 CA ARG A 126 11.977 -2.829 -0.925 1.00 0.40 C ATOM 1894 C ARG A 126 10.500 -3.109 -1.072 1.00 0.34 C ATOM 1895 O ARG A 126 10.088 -4.103 -1.665 1.00 0.32 O ATOM 1896 CB ARG A 126 12.325 -2.732 0.560 1.00 0.47 C ATOM 1897 CG ARG A 126 11.853 -3.926 1.368 1.00 0.58 C ATOM 1898 CD ARG A 126 12.479 -5.213 0.869 1.00 1.25 C ATOM 1899 NE ARG A 126 12.189 -6.347 1.745 1.00 1.38 N ATOM 1900 CZ ARG A 126 12.378 -7.622 1.401 1.00 2.08 C ATOM 1901 NH1 ARG A 126 12.848 -7.930 0.201 1.00 2.99 N ATOM 1902 NH2 ARG A 126 12.102 -8.593 2.262 1.00 2.15 N ATOM 0 H ARG A 126 12.838 -0.924 -1.033 1.00 0.40 H new ATOM 0 HA ARG A 126 12.552 -3.637 -1.376 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.405 -2.634 0.667 1.00 0.47 H new ATOM 0 HB3 ARG A 126 11.881 -1.826 0.971 1.00 0.47 H new ATOM 0 HG2 ARG A 126 12.106 -3.780 2.418 1.00 0.58 H new ATOM 0 HG3 ARG A 126 10.767 -4.001 1.309 1.00 0.58 H new ATOM 0 HD2 ARG A 126 12.111 -5.428 -0.134 1.00 1.25 H new ATOM 0 HD3 ARG A 126 13.558 -5.083 0.792 1.00 1.25 H new ATOM 0 HE ARG A 126 11.820 -6.151 2.676 1.00 1.38 H new ATOM 0 HH11 ARG A 126 13.068 -7.190 -0.466 1.00 2.99 H new ATOM 0 HH12 ARG A 126 12.990 -8.907 -0.056 1.00 2.99 H new ATOM 0 HH21 ARG A 126 11.744 -8.366 3.190 1.00 2.15 H new ATOM 0 HH22 ARG A 126 12.247 -9.567 1.996 1.00 2.15 H new ATOM 1916 N VAL A 127 9.729 -2.179 -0.560 1.00 0.34 N ATOM 1917 CA VAL A 127 8.276 -2.271 -0.573 1.00 0.34 C ATOM 1918 C VAL A 127 7.756 -2.363 -2.008 1.00 0.31 C ATOM 1919 O VAL A 127 6.914 -3.203 -2.336 1.00 0.33 O ATOM 1920 CB VAL A 127 7.641 -1.048 0.120 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.126 -1.170 0.160 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.209 -0.874 1.520 1.00 0.40 C ATOM 0 H VAL A 127 10.087 -1.331 -0.119 1.00 0.34 H new ATOM 0 HA VAL A 127 7.997 -3.173 -0.029 1.00 0.34 H new ATOM 0 HB VAL A 127 7.888 -0.160 -0.462 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.703 -0.295 0.654 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.739 -1.235 -0.857 1.00 0.39 H new ATOM 0 HG13 VAL A 127 5.848 -2.068 0.712 1.00 0.39 H new ATOM 0 HG21 VAL A 127 7.750 -0.006 1.994 1.00 0.40 H new ATOM 0 HG22 VAL A 127 7.998 -1.765 2.112 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.287 -0.726 1.459 1.00 0.40 H new ATOM 1932 N MET A 128 8.293 -1.523 -2.870 1.00 0.28 N ATOM 1933 CA MET A 128 7.840 -1.457 -4.247 1.00 0.26 C ATOM 1934 C MET A 128 8.183 -2.739 -5.005 1.00 0.25 C ATOM 1935 O MET A 128 7.499 -3.102 -5.965 1.00 0.25 O ATOM 1936 CB MET A 128 8.426 -0.228 -4.947 1.00 0.25 C ATOM 1937 CG MET A 128 8.016 1.090 -4.300 1.00 0.27 C ATOM 1938 SD MET A 128 8.655 2.545 -5.156 1.00 0.30 S ATOM 1939 CE MET A 128 7.739 2.470 -6.693 1.00 0.29 C ATOM 0 H MET A 128 9.046 -0.874 -2.641 1.00 0.28 H new ATOM 0 HA MET A 128 6.754 -1.361 -4.242 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.513 -0.302 -4.945 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.108 -0.227 -5.990 1.00 0.25 H new ATOM 0 HG2 MET A 128 6.928 1.146 -4.268 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.366 1.103 -3.268 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.336 2.907 -7.494 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.515 1.431 -6.933 1.00 0.29 H new ATOM 0 HE3 MET A 128 6.808 3.027 -6.589 1.00 0.29 H new ATOM 1949 N GLN A 129 9.225 -3.438 -4.568 1.00 0.25 N ATOM 1950 CA GLN A 129 9.601 -4.689 -5.207 1.00 0.26 C ATOM 1951 C GLN A 129 8.812 -5.857 -4.640 1.00 0.29 C ATOM 1952 O GLN A 129 8.730 -6.904 -5.269 1.00 0.31 O ATOM 1953 CB GLN A 129 11.102 -4.958 -5.112 1.00 0.29 C ATOM 1954 CG GLN A 129 11.897 -4.273 -6.213 1.00 0.31 C ATOM 1955 CD GLN A 129 13.298 -4.833 -6.365 1.00 0.46 C ATOM 1956 OE1 GLN A 129 13.514 -5.793 -7.106 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.263 -4.225 -5.699 1.00 1.28 N ATOM 0 H GLN A 129 9.816 -3.162 -3.784 1.00 0.25 H new ATOM 0 HA GLN A 129 9.354 -4.587 -6.264 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.466 -4.618 -4.143 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.277 -6.033 -5.159 1.00 0.29 H new ATOM 0 HG2 GLN A 129 11.364 -4.379 -7.158 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.959 -3.206 -5.999 1.00 0.31 H new ATOM 0 HE21 GLN A 129 14.045 -3.433 -5.095 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.226 -4.548 -5.789 1.00 1.28 H new ATOM 1966 N GLU A 130 8.226 -5.674 -3.457 1.00 0.33 N ATOM 1967 CA GLU A 130 7.291 -6.660 -2.918 1.00 0.38 C ATOM 1968 C GLU A 130 6.137 -6.801 -3.877 1.00 0.33 C ATOM 1969 O GLU A 130 5.678 -7.896 -4.185 1.00 0.36 O ATOM 1970 CB GLU A 130 6.715 -6.220 -1.574 1.00 0.48 C ATOM 1971 CG GLU A 130 7.749 -5.698 -0.621 1.00 0.71 C ATOM 1972 CD GLU A 130 8.581 -6.801 -0.004 1.00 1.18 C ATOM 1973 OE1 GLU A 130 8.159 -7.349 1.039 1.00 2.02 O ATOM 1974 OE2 GLU A 130 9.643 -7.136 -0.557 1.00 1.46 O ATOM 0 H GLU A 130 8.380 -4.862 -2.860 1.00 0.33 H new ATOM 0 HA GLU A 130 7.833 -7.596 -2.783 1.00 0.38 H new ATOM 0 HB2 GLU A 130 5.966 -5.446 -1.745 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.202 -7.064 -1.114 1.00 0.48 H new ATOM 0 HG2 GLU A 130 8.405 -5.004 -1.147 1.00 0.71 H new ATOM 0 HG3 GLU A 130 7.256 -5.133 0.171 1.00 0.71 H new ATOM 1981 N LEU A 131 5.687 -5.666 -4.370 1.00 0.29 N ATOM 1982 CA LEU A 131 4.491 -5.645 -5.194 1.00 0.29 C ATOM 1983 C LEU A 131 4.774 -6.209 -6.559 1.00 0.24 C ATOM 1984 O LEU A 131 3.985 -6.976 -7.109 1.00 0.25 O ATOM 1985 CB LEU A 131 3.929 -4.233 -5.293 1.00 0.32 C ATOM 1986 CG LEU A 131 3.111 -3.803 -4.081 1.00 0.48 C ATOM 1987 CD1 LEU A 131 1.986 -4.781 -3.858 1.00 0.34 C ATOM 1988 CD2 LEU A 131 3.982 -3.748 -2.847 1.00 1.06 C ATOM 0 H LEU A 131 6.122 -4.756 -4.219 1.00 0.29 H new ATOM 0 HA LEU A 131 3.738 -6.275 -4.719 1.00 0.29 H new ATOM 0 HB2 LEU A 131 4.754 -3.534 -5.428 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.304 -4.164 -6.183 1.00 0.32 H new ATOM 0 HG LEU A 131 2.704 -2.809 -4.269 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.402 -4.472 -2.991 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.344 -4.804 -4.739 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.397 -5.775 -3.683 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.382 -3.439 -1.991 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.405 -4.734 -2.656 1.00 1.06 H new ATOM 0 HD23 LEU A 131 4.788 -3.031 -3.002 1.00 1.06 H new ATOM 2000 N MET A 132 5.927 -5.872 -7.089 1.00 0.21 N ATOM 2001 CA MET A 132 6.332 -6.407 -8.365 1.00 0.22 C ATOM 2002 C MET A 132 6.872 -7.822 -8.183 1.00 0.26 C ATOM 2003 O MET A 132 7.180 -8.513 -9.151 1.00 0.32 O ATOM 2004 CB MET A 132 7.350 -5.491 -9.025 1.00 0.23 C ATOM 2005 CG MET A 132 8.763 -5.618 -8.489 1.00 0.26 C ATOM 2006 SD MET A 132 9.806 -6.603 -9.573 1.00 0.35 S ATOM 2007 CE MET A 132 9.196 -6.039 -11.163 1.00 0.32 C ATOM 0 H MET A 132 6.596 -5.234 -6.659 1.00 0.21 H new ATOM 0 HA MET A 132 5.468 -6.461 -9.028 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.363 -5.697 -10.095 1.00 0.23 H new ATOM 0 HB3 MET A 132 7.022 -4.459 -8.903 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.197 -4.625 -8.371 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.736 -6.073 -7.499 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.912 -6.303 -11.942 1.00 0.32 H new ATOM 0 HE2 MET A 132 8.238 -6.514 -11.374 1.00 0.32 H new ATOM 0 HE3 MET A 132 9.067 -4.957 -11.140 1.00 0.32 H new ATOM 2017 N GLU A 133 6.944 -8.261 -6.927 1.00 0.27 N ATOM 2018 CA GLU A 133 7.268 -9.640 -6.623 1.00 0.35 C ATOM 2019 C GLU A 133 6.051 -10.477 -6.957 1.00 0.34 C ATOM 2020 O GLU A 133 6.163 -11.611 -7.420 1.00 0.40 O ATOM 2021 CB GLU A 133 7.654 -9.802 -5.147 1.00 0.44 C ATOM 2022 CG GLU A 133 7.886 -11.239 -4.704 1.00 0.67 C ATOM 2023 CD GLU A 133 9.100 -11.869 -5.351 1.00 1.30 C ATOM 2024 OE1 GLU A 133 10.232 -11.493 -4.992 1.00 1.55 O ATOM 2025 OE2 GLU A 133 8.927 -12.762 -6.209 1.00 2.18 O ATOM 0 H GLU A 133 6.781 -7.675 -6.108 1.00 0.27 H new ATOM 0 HA GLU A 133 8.126 -9.965 -7.211 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.560 -9.227 -4.957 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.867 -9.369 -4.530 1.00 0.44 H new ATOM 0 HG2 GLU A 133 8.004 -11.265 -3.621 1.00 0.67 H new ATOM 0 HG3 GLU A 133 7.004 -11.834 -4.943 1.00 0.67 H new ATOM 2032 N TYR A 134 4.874 -9.887 -6.757 1.00 0.30 N ATOM 2033 CA TYR A 134 3.641 -10.529 -7.179 1.00 0.34 C ATOM 2034 C TYR A 134 3.333 -10.159 -8.629 1.00 0.36 C ATOM 2035 O TYR A 134 2.270 -10.479 -9.157 1.00 0.44 O ATOM 2036 CB TYR A 134 2.518 -10.142 -6.239 1.00 0.32 C ATOM 2037 CG TYR A 134 2.923 -10.291 -4.796 1.00 0.37 C ATOM 2038 CD1 TYR A 134 3.285 -11.530 -4.282 1.00 0.51 C ATOM 2039 CD2 TYR A 134 3.025 -9.185 -3.971 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.714 -11.662 -2.977 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.468 -9.305 -2.673 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.813 -10.545 -2.178 1.00 0.57 C ATOM 2043 OH TYR A 134 4.261 -10.668 -0.880 1.00 0.74 O ATOM 0 H TYR A 134 4.753 -8.978 -6.311 1.00 0.30 H new ATOM 0 HA TYR A 134 3.750 -11.613 -7.135 1.00 0.34 H new ATOM 0 HB2 TYR A 134 2.223 -9.110 -6.430 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.646 -10.765 -6.438 1.00 0.32 H new ATOM 0 HD1 TYR A 134 3.230 -12.404 -4.914 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.753 -8.212 -4.351 1.00 0.37 H new ATOM 0 HE1 TYR A 134 3.970 -12.635 -2.585 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.545 -8.430 -2.044 1.00 0.49 H new ATOM 0 HH TYR A 134 4.720 -9.844 -0.613 1.00 0.74 H new ATOM 2053 N ASN A 135 4.307 -9.485 -9.255 1.00 0.35 N ATOM 2054 CA ASN A 135 4.245 -9.085 -10.665 1.00 0.38 C ATOM 2055 C ASN A 135 3.261 -7.952 -10.855 1.00 0.42 C ATOM 2056 O ASN A 135 2.585 -7.856 -11.876 1.00 0.59 O ATOM 2057 CB ASN A 135 3.897 -10.261 -11.590 1.00 0.47 C ATOM 2058 CG ASN A 135 5.088 -11.152 -11.909 1.00 1.19 C ATOM 2059 OD1 ASN A 135 6.043 -11.238 -10.999 1.00 1.94 O flip ATOM 2060 ND2 ASN A 135 5.147 -11.764 -12.976 1.00 1.89 N flip ATOM 0 H ASN A 135 5.169 -9.200 -8.791 1.00 0.35 H new ATOM 0 HA ASN A 135 5.241 -8.740 -10.943 1.00 0.38 H new ATOM 0 HB2 ASN A 135 3.117 -10.863 -11.123 1.00 0.47 H new ATOM 0 HB3 ASN A 135 3.484 -9.872 -12.521 1.00 0.47 H new ATOM 0 HD21 ASN A 135 4.393 -11.676 -13.657 1.00 1.89 H new ATOM 0 HD22 ASN A 135 5.950 -12.359 -13.179 1.00 1.89 H new ATOM 2067 N LEU A 136 3.188 -7.095 -9.857 1.00 0.38 N ATOM 2068 CA LEU A 136 2.421 -5.883 -9.951 1.00 0.46 C ATOM 2069 C LEU A 136 3.380 -4.716 -9.961 1.00 0.39 C ATOM 2070 O LEU A 136 3.661 -4.094 -8.935 1.00 0.43 O ATOM 2071 CB LEU A 136 1.401 -5.761 -8.833 1.00 0.62 C ATOM 2072 CG LEU A 136 0.250 -6.764 -8.894 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.608 -8.034 -8.151 1.00 1.68 C ATOM 2074 CD2 LEU A 136 -1.019 -6.153 -8.338 1.00 1.44 C ATOM 0 H LEU A 136 3.660 -7.224 -8.962 1.00 0.38 H new ATOM 0 HA LEU A 136 1.844 -5.894 -10.875 1.00 0.46 H new ATOM 0 HB2 LEU A 136 1.915 -5.879 -7.879 1.00 0.62 H new ATOM 0 HB3 LEU A 136 0.986 -4.753 -8.849 1.00 0.62 H new ATOM 0 HG LEU A 136 0.074 -7.021 -9.938 1.00 0.89 H new ATOM 0 HD11 LEU A 136 -0.225 -8.735 -8.206 1.00 1.68 H new ATOM 0 HD12 LEU A 136 1.492 -8.484 -8.604 1.00 1.68 H new ATOM 0 HD13 LEU A 136 0.815 -7.799 -7.107 1.00 1.68 H new ATOM 0 HD21 LEU A 136 -1.827 -6.883 -8.390 1.00 1.44 H new ATOM 0 HD22 LEU A 136 -0.858 -5.863 -7.300 1.00 1.44 H new ATOM 0 HD23 LEU A 136 -1.286 -5.273 -8.924 1.00 1.44 H new ATOM 2086 N VAL A 137 3.928 -4.486 -11.134 1.00 0.33 N ATOM 2087 CA VAL A 137 4.927 -3.454 -11.337 1.00 0.27 C ATOM 2088 C VAL A 137 4.331 -2.076 -11.152 1.00 0.26 C ATOM 2089 O VAL A 137 3.291 -1.754 -11.719 1.00 0.27 O ATOM 2090 CB VAL A 137 5.561 -3.514 -12.737 1.00 0.27 C ATOM 2091 CG1 VAL A 137 7.066 -3.715 -12.628 1.00 0.61 C ATOM 2092 CG2 VAL A 137 4.916 -4.600 -13.585 1.00 0.49 C ATOM 0 H VAL A 137 3.694 -5.010 -11.978 1.00 0.33 H new ATOM 0 HA VAL A 137 5.699 -3.639 -10.590 1.00 0.27 H new ATOM 0 HB VAL A 137 5.381 -2.563 -13.238 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.501 -3.756 -13.627 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.505 -2.885 -12.075 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.271 -4.649 -12.105 1.00 0.61 H new ATOM 0 HG21 VAL A 137 5.384 -4.619 -14.569 1.00 0.49 H new ATOM 0 HG22 VAL A 137 5.050 -5.567 -13.101 1.00 0.49 H new ATOM 0 HG23 VAL A 137 3.851 -4.393 -13.694 1.00 0.49 H new ATOM 2102 N PRO A 138 4.983 -1.259 -10.328 1.00 0.25 N ATOM 2103 CA PRO A 138 4.614 0.138 -10.130 1.00 0.27 C ATOM 2104 C PRO A 138 4.425 0.908 -11.426 1.00 0.30 C ATOM 2105 O PRO A 138 4.993 0.572 -12.466 1.00 0.29 O ATOM 2106 CB PRO A 138 5.809 0.720 -9.403 1.00 0.30 C ATOM 2107 CG PRO A 138 6.419 -0.419 -8.682 1.00 0.29 C ATOM 2108 CD PRO A 138 6.113 -1.662 -9.475 1.00 0.27 C ATOM 0 HA PRO A 138 3.663 0.207 -9.602 1.00 0.27 H new ATOM 0 HB2 PRO A 138 6.516 1.167 -10.102 1.00 0.30 H new ATOM 0 HB3 PRO A 138 5.505 1.506 -8.712 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.496 -0.280 -8.584 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.014 -0.497 -7.673 1.00 0.29 H new ATOM 0 HD2 PRO A 138 6.970 -1.980 -10.069 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.848 -2.497 -8.826 1.00 0.27 H new ATOM 2116 N GLU A 139 3.666 1.977 -11.315 1.00 0.35 N ATOM 2117 CA GLU A 139 3.426 2.890 -12.425 1.00 0.40 C ATOM 2118 C GLU A 139 4.696 3.657 -12.715 1.00 0.42 C ATOM 2119 O GLU A 139 4.951 4.059 -13.849 1.00 0.50 O ATOM 2120 CB GLU A 139 2.297 3.853 -12.087 1.00 0.47 C ATOM 2121 CG GLU A 139 0.930 3.202 -12.077 1.00 0.80 C ATOM 2122 CD GLU A 139 0.537 2.698 -13.446 1.00 1.49 C ATOM 2123 OE1 GLU A 139 1.002 1.611 -13.831 1.00 2.01 O ATOM 2124 OE2 GLU A 139 -0.209 3.407 -14.151 1.00 1.98 O ATOM 0 H GLU A 139 3.194 2.243 -10.451 1.00 0.35 H new ATOM 0 HA GLU A 139 3.133 2.319 -13.306 1.00 0.40 H new ATOM 0 HB2 GLU A 139 2.487 4.295 -11.109 1.00 0.47 H new ATOM 0 HB3 GLU A 139 2.297 4.668 -12.810 1.00 0.47 H new ATOM 0 HG2 GLU A 139 0.928 2.372 -11.370 1.00 0.80 H new ATOM 0 HG3 GLU A 139 0.188 3.920 -11.728 1.00 0.80 H new ATOM 2131 N GLU A 140 5.461 3.879 -11.654 1.00 0.42 N ATOM 2132 CA GLU A 140 6.837 4.317 -11.750 1.00 0.44 C ATOM 2133 C GLU A 140 7.584 3.506 -12.779 1.00 0.43 C ATOM 2134 O GLU A 140 8.202 4.033 -13.706 1.00 0.51 O ATOM 2135 CB GLU A 140 7.525 4.055 -10.423 1.00 0.45 C ATOM 2136 CG GLU A 140 7.340 5.104 -9.371 1.00 0.75 C ATOM 2137 CD GLU A 140 5.902 5.560 -9.207 1.00 0.87 C ATOM 2138 OE1 GLU A 140 5.026 4.695 -8.989 1.00 1.01 O ATOM 2139 OE2 GLU A 140 5.649 6.784 -9.288 1.00 1.14 O ATOM 0 H GLU A 140 5.135 3.757 -10.695 1.00 0.42 H new ATOM 0 HA GLU A 140 6.839 5.373 -12.019 1.00 0.44 H new ATOM 0 HB2 GLU A 140 7.162 3.105 -10.029 1.00 0.45 H new ATOM 0 HB3 GLU A 140 8.593 3.937 -10.607 1.00 0.45 H new ATOM 0 HG2 GLU A 140 7.699 4.717 -8.418 1.00 0.75 H new ATOM 0 HG3 GLU A 140 7.959 5.966 -9.618 1.00 0.75 H new ATOM 2146 N TRP A 141 7.513 2.203 -12.585 1.00 0.35 N ATOM 2147 CA TRP A 141 8.379 1.285 -13.280 1.00 0.35 C ATOM 2148 C TRP A 141 7.757 0.844 -14.601 1.00 0.38 C ATOM 2149 O TRP A 141 8.450 0.339 -15.485 1.00 0.45 O ATOM 2150 CB TRP A 141 8.712 0.099 -12.394 1.00 0.32 C ATOM 2151 CG TRP A 141 9.178 0.452 -10.992 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.414 1.699 -10.439 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.430 -0.486 -9.944 1.00 0.25 C ATOM 2154 NE1 TRP A 141 9.801 1.564 -9.132 1.00 0.31 N ATOM 2155 CE2 TRP A 141 9.813 0.237 -8.801 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.361 -1.872 -9.868 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.122 -0.383 -7.593 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.660 -2.492 -8.668 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.035 -1.748 -7.538 1.00 0.23 C ATOM 0 H TRP A 141 6.856 1.758 -11.944 1.00 0.35 H new ATOM 0 HA TRP A 141 9.312 1.797 -13.517 1.00 0.35 H new ATOM 0 HB2 TRP A 141 7.830 -0.536 -12.317 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.489 -0.491 -12.880 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.309 2.639 -10.961 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.042 2.332 -8.505 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.079 -2.456 -10.732 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.420 0.193 -6.729 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.604 -3.568 -8.599 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.258 -2.259 -6.613 1.00 0.23 H new ATOM 2170 N GLY A 142 6.445 1.022 -14.734 1.00 0.35 N ATOM 2171 CA GLY A 142 5.815 0.834 -16.026 1.00 0.39 C ATOM 2172 C GLY A 142 4.934 -0.384 -16.059 1.00 0.38 C ATOM 2173 O GLY A 142 4.746 -1.003 -17.107 1.00 0.45 O ATOM 0 H GLY A 142 5.814 1.290 -13.978 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.222 1.715 -16.270 1.00 0.39 H new ATOM 0 HA3 GLY A 142 6.584 0.744 -16.793 1.00 0.39 H new ATOM 2177 N GLY A 143 4.405 -0.739 -14.906 1.00 0.33 N ATOM 2178 CA GLY A 143 3.511 -1.873 -14.830 1.00 0.34 C ATOM 2179 C GLY A 143 2.065 -1.446 -14.807 1.00 0.37 C ATOM 2180 O GLY A 143 1.541 -0.952 -15.808 1.00 0.50 O ATOM 0 H GLY A 143 4.576 -0.265 -14.019 1.00 0.33 H new ATOM 0 HA2 GLY A 143 3.683 -2.529 -15.683 1.00 0.34 H new ATOM 0 HA3 GLY A 143 3.733 -2.452 -13.933 1.00 0.34 H new ATOM 2184 N ASP A 144 1.422 -1.637 -13.668 1.00 0.33 N ATOM 2185 CA ASP A 144 0.041 -1.210 -13.489 1.00 0.40 C ATOM 2186 C ASP A 144 -0.295 -1.071 -12.010 1.00 0.30 C ATOM 2187 O ASP A 144 -1.430 -1.315 -11.578 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.945 -2.171 -14.178 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.789 -3.618 -13.745 1.00 0.93 C ATOM 2190 OD1 ASP A 144 -1.395 -4.003 -12.721 1.00 1.30 O ATOM 2191 OD2 ASP A 144 -0.053 -4.375 -14.408 1.00 1.19 O ATOM 0 H ASP A 144 1.834 -2.086 -12.850 1.00 0.33 H new ATOM 0 HA ASP A 144 -0.062 -0.234 -13.963 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.964 -1.845 -13.967 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.807 -2.107 -15.257 1.00 0.57 H new ATOM 2196 N THR A 145 0.692 -0.667 -11.226 1.00 0.25 N ATOM 2197 CA THR A 145 0.491 -0.545 -9.790 1.00 0.24 C ATOM 2198 C THR A 145 0.856 0.847 -9.283 1.00 0.24 C ATOM 2199 O THR A 145 2.020 1.244 -9.282 1.00 0.31 O ATOM 2200 CB THR A 145 1.294 -1.619 -9.050 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.980 -2.890 -9.618 1.00 0.32 O ATOM 2202 CG2 THR A 145 0.967 -1.633 -7.563 1.00 0.28 C ATOM 0 H THR A 145 1.627 -0.421 -11.552 1.00 0.25 H new ATOM 0 HA THR A 145 -0.570 -0.695 -9.588 1.00 0.24 H new ATOM 0 HB THR A 145 2.356 -1.399 -9.156 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.021 -3.064 -9.519 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.554 -2.407 -7.069 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.207 -0.662 -7.129 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.094 -1.840 -7.426 1.00 0.28 H new ATOM 2210 N ILE A 146 -0.155 1.580 -8.842 1.00 0.26 N ATOM 2211 CA ILE A 146 0.023 2.963 -8.424 1.00 0.27 C ATOM 2212 C ILE A 146 0.612 3.040 -7.019 1.00 0.24 C ATOM 2213 O ILE A 146 -0.088 2.821 -6.040 1.00 0.26 O ATOM 2214 CB ILE A 146 -1.316 3.739 -8.445 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -1.902 3.826 -9.859 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -1.123 5.132 -7.874 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.595 2.562 -10.324 1.00 1.23 C ATOM 0 H ILE A 146 -1.113 1.238 -8.764 1.00 0.26 H new ATOM 0 HA ILE A 146 0.712 3.419 -9.135 1.00 0.27 H new ATOM 0 HB ILE A 146 -2.025 3.189 -7.826 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -2.613 4.651 -9.895 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -1.101 4.066 -10.558 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -2.072 5.668 -7.894 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -0.770 5.058 -6.845 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -0.389 5.672 -8.472 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.980 2.709 -11.333 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -1.884 1.736 -10.324 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -3.420 2.331 -9.650 1.00 1.23 H new ATOM 2229 N PHE A 147 1.890 3.366 -6.919 1.00 0.23 N ATOM 2230 CA PHE A 147 2.551 3.455 -5.622 1.00 0.22 C ATOM 2231 C PHE A 147 2.409 4.835 -5.011 1.00 0.24 C ATOM 2232 O PHE A 147 2.940 5.820 -5.528 1.00 0.38 O ATOM 2233 CB PHE A 147 4.025 3.097 -5.743 1.00 0.23 C ATOM 2234 CG PHE A 147 4.258 1.635 -5.579 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.041 0.770 -6.634 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.721 1.127 -4.382 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.276 -0.580 -6.496 1.00 0.20 C ATOM 2238 CE2 PHE A 147 4.961 -0.223 -4.239 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.642 -1.085 -5.249 1.00 0.19 C ATOM 0 H PHE A 147 2.491 3.573 -7.716 1.00 0.23 H new ATOM 0 HA PHE A 147 2.060 2.739 -4.963 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.397 3.417 -6.716 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.594 3.642 -4.989 1.00 0.23 H new ATOM 0 HD1 PHE A 147 3.683 1.156 -7.577 1.00 0.20 H new ATOM 0 HD2 PHE A 147 4.897 1.793 -3.550 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.178 -1.241 -7.345 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.402 -0.599 -3.328 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.673 -2.152 -5.083 1.00 0.19 H new ATOM 2249 N CYS A 148 1.691 4.897 -3.908 1.00 0.25 N ATOM 2250 CA CYS A 148 1.560 6.121 -3.154 1.00 0.28 C ATOM 2251 C CYS A 148 2.404 6.036 -1.897 1.00 0.26 C ATOM 2252 O CYS A 148 2.024 5.384 -0.927 1.00 0.32 O ATOM 2253 CB CYS A 148 0.101 6.358 -2.777 1.00 0.30 C ATOM 2254 SG CYS A 148 -1.017 6.423 -4.197 1.00 1.10 S ATOM 0 H CYS A 148 1.186 4.104 -3.513 1.00 0.25 H new ATOM 0 HA CYS A 148 1.903 6.953 -3.769 1.00 0.28 H new ATOM 0 HB2 CYS A 148 -0.225 5.564 -2.106 1.00 0.30 H new ATOM 0 HB3 CYS A 148 0.026 7.294 -2.224 1.00 0.30 H new ATOM 0 HG CYS A 148 -2.027 5.631 -3.991 1.00 1.10 H new ATOM 2260 N LYS A 149 3.564 6.656 -1.928 1.00 0.37 N ATOM 2261 CA LYS A 149 4.386 6.756 -0.741 1.00 0.38 C ATOM 2262 C LYS A 149 3.865 7.904 0.115 1.00 0.39 C ATOM 2263 O LYS A 149 4.334 9.039 0.025 1.00 0.47 O ATOM 2264 CB LYS A 149 5.859 6.935 -1.126 1.00 0.47 C ATOM 2265 CG LYS A 149 6.083 7.853 -2.316 1.00 0.64 C ATOM 2266 CD LYS A 149 7.537 7.855 -2.764 1.00 0.94 C ATOM 2267 CE LYS A 149 7.722 8.632 -4.063 1.00 1.57 C ATOM 2268 NZ LYS A 149 7.036 7.976 -5.211 1.00 2.44 N ATOM 0 H LYS A 149 3.958 7.097 -2.759 1.00 0.37 H new ATOM 0 HA LYS A 149 4.328 5.838 -0.157 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.402 7.331 -0.268 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.286 5.957 -1.350 1.00 0.47 H new ATOM 0 HG2 LYS A 149 5.448 7.536 -3.144 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.782 8.867 -2.054 1.00 0.64 H new ATOM 0 HD2 LYS A 149 8.158 8.295 -1.984 1.00 0.94 H new ATOM 0 HD3 LYS A 149 7.878 6.829 -2.901 1.00 0.94 H new ATOM 0 HE2 LYS A 149 7.334 9.643 -3.939 1.00 1.57 H new ATOM 0 HE3 LYS A 149 8.786 8.724 -4.282 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 7.388 8.380 -6.102 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 7.230 6.954 -5.194 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 6.011 8.135 -5.140 1.00 2.44 H new ATOM 2282 N LEU A 150 2.872 7.590 0.936 1.00 0.40 N ATOM 2283 CA LEU A 150 2.072 8.603 1.601 1.00 0.45 C ATOM 2284 C LEU A 150 2.083 8.458 3.116 1.00 0.45 C ATOM 2285 O LEU A 150 2.779 7.617 3.680 1.00 0.49 O ATOM 2286 CB LEU A 150 0.628 8.554 1.055 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.285 7.365 1.446 1.00 0.49 C ATOM 2288 CD1 LEU A 150 0.480 6.112 1.816 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -1.241 7.756 2.563 1.00 1.27 C ATOM 0 H LEU A 150 2.602 6.632 1.157 1.00 0.40 H new ATOM 0 HA LEU A 150 2.516 9.575 1.384 1.00 0.45 H new ATOM 0 HB2 LEU A 150 0.127 9.470 1.368 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.687 8.579 -0.033 1.00 0.60 H new ATOM 0 HG LEU A 150 -0.859 7.123 0.552 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -0.222 5.321 2.078 1.00 1.25 H new ATOM 0 HD12 LEU A 150 1.086 5.792 0.969 1.00 1.25 H new ATOM 0 HD13 LEU A 150 1.128 6.319 2.668 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -1.870 6.903 2.818 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.670 8.061 3.440 1.00 1.27 H new ATOM 0 HD23 LEU A 150 -1.868 8.584 2.232 1.00 1.27 H new ATOM 2301 N SER A 151 1.298 9.301 3.754 1.00 0.49 N ATOM 2302 CA SER A 151 1.114 9.263 5.186 1.00 0.55 C ATOM 2303 C SER A 151 -0.203 9.927 5.549 1.00 0.57 C ATOM 2304 O SER A 151 -0.458 11.061 5.156 1.00 0.60 O ATOM 2305 CB SER A 151 2.273 9.950 5.890 1.00 0.66 C ATOM 2306 OG SER A 151 3.284 9.021 6.245 1.00 1.79 O ATOM 0 H SER A 151 0.767 10.037 3.288 1.00 0.49 H new ATOM 0 HA SER A 151 1.088 8.224 5.514 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.693 10.717 5.239 1.00 0.66 H new ATOM 0 HB3 SER A 151 1.910 10.455 6.785 1.00 0.66 H new ATOM 0 HG SER A 151 3.424 9.045 7.215 1.00 1.79 H new ATOM 2312 N ALA A 152 -1.055 9.203 6.261 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.332 9.746 6.716 1.00 0.70 C ATOM 2314 C ALA A 152 -2.151 10.489 8.028 1.00 0.74 C ATOM 2315 O ALA A 152 -3.024 11.248 8.456 1.00 0.87 O ATOM 2316 CB ALA A 152 -3.341 8.627 6.881 1.00 0.86 C ATOM 0 H ALA A 152 -0.887 8.236 6.538 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.703 10.448 5.969 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -4.291 9.041 7.221 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -3.486 8.124 5.925 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.973 7.911 7.616 1.00 0.86 H new ATOM 2322 N LYS A 153 -0.993 10.289 8.638 1.00 0.77 N ATOM 2323 CA LYS A 153 -0.670 10.902 9.907 1.00 0.93 C ATOM 2324 C LYS A 153 -0.390 12.371 9.695 1.00 0.86 C ATOM 2325 O LYS A 153 -1.030 13.236 10.287 1.00 0.96 O ATOM 2326 CB LYS A 153 0.535 10.213 10.503 1.00 1.13 C ATOM 2327 CG LYS A 153 0.987 10.787 11.829 1.00 1.19 C ATOM 2328 CD LYS A 153 2.090 9.940 12.447 1.00 1.68 C ATOM 2329 CE LYS A 153 3.337 9.908 11.576 1.00 2.31 C ATOM 2330 NZ LYS A 153 4.123 11.167 11.674 1.00 3.03 N ATOM 0 H LYS A 153 -0.253 9.696 8.263 1.00 0.77 H new ATOM 0 HA LYS A 153 -1.509 10.800 10.595 1.00 0.93 H new ATOM 0 HB2 LYS A 153 0.305 9.156 10.637 1.00 1.13 H new ATOM 0 HB3 LYS A 153 1.361 10.272 9.794 1.00 1.13 H new ATOM 0 HG2 LYS A 153 1.345 11.806 11.684 1.00 1.19 H new ATOM 0 HG3 LYS A 153 0.140 10.841 12.513 1.00 1.19 H new ATOM 0 HD2 LYS A 153 2.344 10.336 13.430 1.00 1.68 H new ATOM 0 HD3 LYS A 153 1.726 8.924 12.597 1.00 1.68 H new ATOM 0 HE2 LYS A 153 3.963 9.067 11.872 1.00 2.31 H new ATOM 0 HE3 LYS A 153 3.049 9.741 10.538 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 4.565 11.373 10.755 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 3.492 11.950 11.938 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 4.863 11.059 12.397 1.00 3.03 H new ATOM 2344 N THR A 154 0.562 12.634 8.821 1.00 0.78 N ATOM 2345 CA THR A 154 0.834 13.989 8.388 1.00 0.81 C ATOM 2346 C THR A 154 -0.204 14.396 7.354 1.00 0.73 C ATOM 2347 O THR A 154 -0.444 15.580 7.105 1.00 0.82 O ATOM 2348 CB THR A 154 2.248 14.117 7.797 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.438 13.124 6.779 1.00 1.19 O ATOM 2350 CG2 THR A 154 3.303 13.948 8.875 1.00 1.20 C ATOM 0 H THR A 154 1.160 11.925 8.397 1.00 0.78 H new ATOM 0 HA THR A 154 0.779 14.650 9.253 1.00 0.81 H new ATOM 0 HB THR A 154 2.351 15.112 7.365 1.00 0.89 H new ATOM 0 HG1 THR A 154 3.000 13.491 6.065 1.00 1.19 H new ATOM 0 HG21 THR A 154 4.294 14.043 8.432 1.00 1.20 H new ATOM 0 HG22 THR A 154 3.171 14.716 9.637 1.00 1.20 H new ATOM 0 HG23 THR A 154 3.202 12.963 9.332 1.00 1.20 H new ATOM 2358 N LYS A 155 -0.798 13.364 6.756 1.00 0.65 N ATOM 2359 CA LYS A 155 -1.932 13.488 5.842 1.00 0.67 C ATOM 2360 C LYS A 155 -1.526 14.113 4.504 1.00 0.66 C ATOM 2361 O LYS A 155 -2.371 14.376 3.648 1.00 0.86 O ATOM 2362 CB LYS A 155 -3.054 14.283 6.512 1.00 0.86 C ATOM 2363 CG LYS A 155 -4.427 14.033 5.920 1.00 1.27 C ATOM 2364 CD LYS A 155 -5.532 14.579 6.810 1.00 1.12 C ATOM 2365 CE LYS A 155 -5.809 13.690 8.019 1.00 1.39 C ATOM 2366 NZ LYS A 155 -4.665 13.615 8.970 1.00 2.27 N ATOM 0 H LYS A 155 -0.498 12.399 6.896 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.297 12.486 5.617 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -3.077 14.035 7.573 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -2.826 15.346 6.438 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -4.489 14.498 4.936 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -4.572 12.962 5.776 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -5.257 15.576 7.153 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -6.446 14.684 6.225 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -6.686 14.067 8.545 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -6.052 12.685 7.674 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -5.021 13.413 9.926 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -4.017 12.857 8.675 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -4.157 14.522 8.974 1.00 2.27 H new ATOM 2380 N GLU A 156 -0.228 14.307 4.317 1.00 0.62 N ATOM 2381 CA GLU A 156 0.303 14.888 3.086 1.00 0.66 C ATOM 2382 C GLU A 156 0.091 13.941 1.909 1.00 0.59 C ATOM 2383 O GLU A 156 -0.400 14.322 0.837 1.00 0.58 O ATOM 2384 CB GLU A 156 1.799 15.139 3.248 1.00 0.75 C ATOM 2385 CG GLU A 156 2.176 15.803 4.558 1.00 1.13 C ATOM 2386 CD GLU A 156 3.669 15.775 4.793 1.00 1.78 C ATOM 2387 OE1 GLU A 156 4.268 14.684 4.719 1.00 2.03 O ATOM 2388 OE2 GLU A 156 4.247 16.851 5.073 1.00 2.64 O ATOM 0 H GLU A 156 0.484 14.069 5.007 1.00 0.62 H new ATOM 0 HA GLU A 156 -0.221 15.824 2.892 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.327 14.189 3.169 1.00 0.75 H new ATOM 0 HB3 GLU A 156 2.143 15.764 2.424 1.00 0.75 H new ATOM 0 HG2 GLU A 156 1.828 16.836 4.555 1.00 1.13 H new ATOM 0 HG3 GLU A 156 1.669 15.298 5.380 1.00 1.13 H new ATOM 2395 N GLY A 157 0.479 12.696 2.123 1.00 0.62 N ATOM 2396 CA GLY A 157 0.367 11.696 1.096 1.00 0.61 C ATOM 2397 C GLY A 157 -1.063 11.444 0.669 1.00 0.48 C ATOM 2398 O GLY A 157 -1.305 10.972 -0.437 1.00 0.46 O ATOM 0 H GLY A 157 0.874 12.361 3.002 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.950 12.007 0.229 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.803 10.764 1.455 1.00 0.61 H new ATOM 2402 N LEU A 158 -2.010 11.748 1.547 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.422 11.603 1.224 1.00 0.50 C ATOM 2404 C LEU A 158 -3.815 12.557 0.106 1.00 0.46 C ATOM 2405 O LEU A 158 -4.678 12.240 -0.715 1.00 0.51 O ATOM 2406 CB LEU A 158 -4.288 11.835 2.461 1.00 0.62 C ATOM 2407 CG LEU A 158 -4.264 10.702 3.493 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -5.247 10.981 4.615 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -4.585 9.372 2.831 1.00 1.27 C ATOM 0 H LEU A 158 -1.825 12.096 2.488 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.590 10.583 0.879 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -3.962 12.755 2.947 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -5.318 11.992 2.140 1.00 0.62 H new ATOM 0 HG LEU A 158 -3.261 10.647 3.917 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -5.215 10.166 5.338 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -4.979 11.915 5.110 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -6.253 11.063 4.205 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -4.563 8.579 3.578 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -5.577 9.420 2.381 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -3.845 9.162 2.058 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.164 13.717 0.064 1.00 0.48 N ATOM 2422 CA ASP A 159 -3.334 14.641 -1.051 1.00 0.57 C ATOM 2423 C ASP A 159 -2.899 13.957 -2.330 1.00 0.50 C ATOM 2424 O ASP A 159 -3.655 13.884 -3.298 1.00 0.52 O ATOM 2425 CB ASP A 159 -2.503 15.917 -0.861 1.00 0.73 C ATOM 2426 CG ASP A 159 -3.006 16.796 0.260 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -3.938 17.590 0.030 1.00 1.58 O ATOM 2428 OD2 ASP A 159 -2.463 16.712 1.380 1.00 2.50 O ATOM 0 H ASP A 159 -2.518 14.037 0.785 1.00 0.48 H new ATOM 0 HA ASP A 159 -4.386 14.923 -1.100 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -1.468 15.642 -0.661 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -2.507 16.487 -1.790 1.00 0.73 H new ATOM 2433 N HIS A 160 -1.678 13.429 -2.309 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.123 12.728 -3.468 1.00 0.46 C ATOM 2435 C HIS A 160 -1.991 11.532 -3.853 1.00 0.41 C ATOM 2436 O HIS A 160 -2.117 11.202 -5.030 1.00 0.43 O ATOM 2437 CB HIS A 160 0.316 12.264 -3.190 1.00 0.50 C ATOM 2438 CG HIS A 160 0.975 11.587 -4.360 1.00 0.56 C ATOM 2439 ND1 HIS A 160 1.624 12.275 -5.361 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.078 10.275 -4.686 1.00 0.59 C ATOM 2441 CE1 HIS A 160 2.096 11.422 -6.248 1.00 0.73 C ATOM 2442 NE2 HIS A 160 1.782 10.200 -5.863 1.00 0.67 N ATOM 0 H HIS A 160 -1.053 13.472 -1.504 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.110 13.430 -4.302 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.915 13.126 -2.897 1.00 0.50 H new ATOM 0 HB3 HIS A 160 0.309 11.578 -2.343 1.00 0.50 H new ATOM 0 HD2 HIS A 160 0.680 9.443 -4.124 1.00 0.59 H new ATOM 0 HE1 HIS A 160 2.647 11.680 -7.140 1.00 0.73 H new ATOM 0 HE2 HIS A 160 2.022 9.341 -6.358 1.00 0.67 H new ATOM 2451 N LEU A 161 -2.585 10.891 -2.856 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.424 9.721 -3.078 1.00 0.39 C ATOM 2453 C LEU A 161 -4.621 10.064 -3.959 1.00 0.39 C ATOM 2454 O LEU A 161 -4.771 9.508 -5.045 1.00 0.42 O ATOM 2455 CB LEU A 161 -3.898 9.146 -1.741 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.828 7.936 -1.843 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -4.131 6.780 -2.543 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -5.308 7.511 -0.467 1.00 0.88 C ATOM 0 H LEU A 161 -2.500 11.165 -1.877 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.827 8.970 -3.594 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -3.023 8.863 -1.155 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.411 9.932 -1.188 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.696 8.224 -2.436 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -4.810 5.930 -2.605 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.839 7.086 -3.548 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -3.243 6.495 -1.979 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.968 6.649 -0.562 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -4.451 7.245 0.151 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.850 8.334 -0.001 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.456 10.989 -3.492 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.631 11.424 -4.241 1.00 0.44 C ATOM 2472 C LEU A 162 -6.234 11.886 -5.636 1.00 0.45 C ATOM 2473 O LEU A 162 -6.911 11.574 -6.616 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.329 12.559 -3.488 1.00 0.50 C ATOM 2475 CG LEU A 162 -7.797 12.217 -2.072 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.425 13.437 -1.413 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -8.784 11.057 -2.098 1.00 1.06 C ATOM 0 H LEU A 162 -5.339 11.454 -2.592 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.317 10.583 -4.341 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -6.648 13.408 -3.432 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -8.193 12.881 -4.070 1.00 0.50 H new ATOM 0 HG LEU A 162 -6.929 11.914 -1.486 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -8.753 13.178 -0.406 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -7.690 14.240 -1.360 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.282 13.767 -2.000 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -9.105 10.829 -1.081 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.651 11.330 -2.699 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.303 10.180 -2.532 1.00 1.06 H new ATOM 2489 N GLU A 163 -5.113 12.597 -5.718 1.00 0.46 N ATOM 2490 CA GLU A 163 -4.605 13.086 -6.997 1.00 0.52 C ATOM 2491 C GLU A 163 -4.283 11.925 -7.928 1.00 0.51 C ATOM 2492 O GLU A 163 -4.709 11.901 -9.081 1.00 0.56 O ATOM 2493 CB GLU A 163 -3.339 13.928 -6.803 1.00 0.62 C ATOM 2494 CG GLU A 163 -3.535 15.196 -5.987 1.00 1.06 C ATOM 2495 CD GLU A 163 -4.570 16.130 -6.576 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -4.567 16.336 -7.805 1.00 1.97 O ATOM 2497 OE2 GLU A 163 -5.366 16.693 -5.802 1.00 2.49 O ATOM 0 H GLU A 163 -4.538 12.848 -4.913 1.00 0.46 H new ATOM 0 HA GLU A 163 -5.385 13.706 -7.439 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -2.582 13.313 -6.317 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -2.947 14.200 -7.783 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -3.833 14.926 -4.974 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -2.583 15.721 -5.910 1.00 1.06 H new ATOM 2504 N MET A 164 -3.537 10.955 -7.416 1.00 0.49 N ATOM 2505 CA MET A 164 -3.078 9.844 -8.233 1.00 0.52 C ATOM 2506 C MET A 164 -4.247 8.947 -8.616 1.00 0.51 C ATOM 2507 O MET A 164 -4.282 8.393 -9.714 1.00 0.57 O ATOM 2508 CB MET A 164 -2.012 9.037 -7.492 1.00 0.53 C ATOM 2509 CG MET A 164 -0.992 8.378 -8.410 1.00 0.68 C ATOM 2510 SD MET A 164 0.404 9.453 -8.821 1.00 0.87 S ATOM 2511 CE MET A 164 -0.400 10.792 -9.697 1.00 0.67 C ATOM 0 H MET A 164 -3.239 10.917 -6.441 1.00 0.49 H new ATOM 0 HA MET A 164 -2.636 10.248 -9.144 1.00 0.52 H new ATOM 0 HB2 MET A 164 -1.490 9.694 -6.797 1.00 0.53 H new ATOM 0 HB3 MET A 164 -2.502 8.267 -6.896 1.00 0.53 H new ATOM 0 HG2 MET A 164 -0.616 7.473 -7.933 1.00 0.68 H new ATOM 0 HG3 MET A 164 -1.488 8.071 -9.331 1.00 0.68 H new ATOM 0 HE1 MET A 164 0.334 11.324 -10.302 1.00 0.67 H new ATOM 0 HE2 MET A 164 -1.178 10.388 -10.344 1.00 0.67 H new ATOM 0 HE3 MET A 164 -0.846 11.480 -8.979 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.205 8.820 -7.704 1.00 0.48 N ATOM 2522 CA ILE A 165 -6.411 8.056 -7.940 1.00 0.51 C ATOM 2523 C ILE A 165 -7.151 8.579 -9.177 1.00 0.58 C ATOM 2524 O ILE A 165 -7.454 7.817 -10.098 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.322 8.130 -6.697 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -6.780 7.221 -5.590 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -8.751 7.766 -7.037 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.522 7.358 -4.280 1.00 0.50 C ATOM 0 H ILE A 165 -5.161 9.248 -6.779 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.139 7.016 -8.124 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.322 9.159 -6.338 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -6.835 6.184 -5.923 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -5.726 7.448 -5.427 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.366 7.828 -6.139 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.134 8.457 -7.788 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -8.784 6.750 -7.430 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -7.085 6.685 -3.542 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.446 8.386 -3.924 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.571 7.102 -4.428 1.00 0.50 H new ATOM 2540 N LEU A 166 -7.412 9.886 -9.217 1.00 0.61 N ATOM 2541 CA LEU A 166 -8.174 10.467 -10.310 1.00 0.72 C ATOM 2542 C LEU A 166 -7.343 10.618 -11.578 1.00 0.72 C ATOM 2543 O LEU A 166 -7.855 10.428 -12.683 1.00 0.81 O ATOM 2544 CB LEU A 166 -8.780 11.811 -9.911 1.00 0.82 C ATOM 2545 CG LEU A 166 -7.855 12.826 -9.227 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -7.101 13.659 -10.253 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -8.655 13.730 -8.299 1.00 1.48 C ATOM 0 H LEU A 166 -7.107 10.554 -8.509 1.00 0.61 H new ATOM 0 HA LEU A 166 -8.983 9.770 -10.528 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -9.187 12.277 -10.808 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -9.620 11.617 -9.244 1.00 0.82 H new ATOM 0 HG LEU A 166 -7.124 12.272 -8.637 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -6.453 14.370 -9.740 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -6.496 13.004 -10.880 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -7.813 14.201 -10.876 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -7.985 14.445 -7.821 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -9.408 14.268 -8.875 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -9.145 13.126 -7.536 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.073 10.962 -11.418 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.172 11.117 -12.556 1.00 0.79 C ATOM 2561 C LEU A 167 -5.038 9.797 -13.303 1.00 0.87 C ATOM 2562 O LEU A 167 -4.756 9.771 -14.497 1.00 1.02 O ATOM 2563 CB LEU A 167 -3.794 11.611 -12.102 1.00 0.84 C ATOM 2564 CG LEU A 167 -2.816 11.941 -13.238 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -3.382 13.030 -14.136 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -1.464 12.360 -12.680 1.00 1.41 C ATOM 0 H LEU A 167 -5.641 11.140 -10.511 1.00 0.69 H new ATOM 0 HA LEU A 167 -5.596 11.864 -13.227 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -3.928 12.502 -11.488 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -3.344 10.850 -11.465 1.00 0.84 H new ATOM 0 HG LEU A 167 -2.676 11.041 -13.837 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -2.673 13.248 -14.934 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -4.323 12.692 -14.569 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -3.556 13.932 -13.549 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -0.786 12.589 -13.502 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -1.587 13.244 -12.054 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -1.049 11.548 -12.084 1.00 1.41 H new ATOM 2578 N VAL A 168 -5.268 8.703 -12.596 1.00 0.83 N ATOM 2579 CA VAL A 168 -5.210 7.387 -13.198 1.00 0.96 C ATOM 2580 C VAL A 168 -6.546 7.046 -13.840 1.00 1.01 C ATOM 2581 O VAL A 168 -6.592 6.462 -14.921 1.00 1.14 O ATOM 2582 CB VAL A 168 -4.805 6.317 -12.161 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -5.321 4.941 -12.544 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -3.296 6.286 -12.027 1.00 1.14 C ATOM 0 H VAL A 168 -5.497 8.703 -11.602 1.00 0.83 H new ATOM 0 HA VAL A 168 -4.445 7.397 -13.974 1.00 0.96 H new ATOM 0 HB VAL A 168 -5.256 6.584 -11.205 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -5.016 4.215 -11.790 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -6.409 4.965 -12.606 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -4.909 4.654 -13.512 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -3.011 5.530 -11.295 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -2.850 6.043 -12.991 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -2.940 7.262 -11.698 1.00 1.14 H new ATOM 2594 N SER A 169 -7.625 7.454 -13.187 1.00 0.98 N ATOM 2595 CA SER A 169 -8.963 7.234 -13.709 1.00 1.14 C ATOM 2596 C SER A 169 -9.101 7.862 -15.095 1.00 1.22 C ATOM 2597 O SER A 169 -9.672 7.266 -16.009 1.00 1.41 O ATOM 2598 CB SER A 169 -10.002 7.826 -12.753 1.00 1.20 C ATOM 2599 OG SER A 169 -11.317 7.483 -13.151 1.00 1.54 O ATOM 0 H SER A 169 -7.598 7.941 -12.291 1.00 0.98 H new ATOM 0 HA SER A 169 -9.135 6.161 -13.796 1.00 1.14 H new ATOM 0 HB2 SER A 169 -9.819 7.463 -11.742 1.00 1.20 H new ATOM 0 HB3 SER A 169 -9.899 8.911 -12.726 1.00 1.20 H new ATOM 0 HG SER A 169 -11.909 8.254 -13.024 1.00 1.54 H new ATOM 2605 N GLU A 170 -8.560 9.065 -15.251 1.00 1.15 N ATOM 2606 CA GLU A 170 -8.599 9.743 -16.536 1.00 1.33 C ATOM 2607 C GLU A 170 -7.524 9.191 -17.468 1.00 1.37 C ATOM 2608 O GLU A 170 -7.689 9.199 -18.686 1.00 1.53 O ATOM 2609 CB GLU A 170 -8.428 11.255 -16.360 1.00 1.46 C ATOM 2610 CG GLU A 170 -7.122 11.653 -15.696 1.00 2.02 C ATOM 2611 CD GLU A 170 -6.957 13.152 -15.595 1.00 2.31 C ATOM 2612 OE1 GLU A 170 -6.415 13.759 -16.539 1.00 2.79 O ATOM 2613 OE2 GLU A 170 -7.363 13.729 -14.564 1.00 2.65 O ATOM 0 H GLU A 170 -8.093 9.586 -14.508 1.00 1.15 H new ATOM 0 HA GLU A 170 -9.575 9.559 -16.986 1.00 1.33 H new ATOM 0 HB2 GLU A 170 -8.488 11.734 -17.337 1.00 1.46 H new ATOM 0 HB3 GLU A 170 -9.258 11.638 -15.766 1.00 1.46 H new ATOM 0 HG2 GLU A 170 -7.078 11.218 -14.698 1.00 2.02 H new ATOM 0 HG3 GLU A 170 -6.289 11.236 -16.262 1.00 2.02 H new ATOM 2620 N MET A 171 -6.435 8.694 -16.890 1.00 1.30 N ATOM 2621 CA MET A 171 -5.340 8.132 -17.673 1.00 1.44 C ATOM 2622 C MET A 171 -5.795 6.867 -18.388 1.00 1.51 C ATOM 2623 O MET A 171 -5.356 6.590 -19.505 1.00 1.76 O ATOM 2624 CB MET A 171 -4.129 7.832 -16.787 1.00 1.40 C ATOM 2625 CG MET A 171 -2.898 7.390 -17.563 1.00 1.67 C ATOM 2626 SD MET A 171 -1.442 7.193 -16.520 1.00 1.82 S ATOM 2627 CE MET A 171 -1.962 5.864 -15.440 1.00 1.77 C ATOM 0 H MET A 171 -6.287 8.669 -15.881 1.00 1.30 H new ATOM 0 HA MET A 171 -5.043 8.871 -18.417 1.00 1.44 H new ATOM 0 HB2 MET A 171 -3.883 8.723 -16.209 1.00 1.40 H new ATOM 0 HB3 MET A 171 -4.396 7.053 -16.073 1.00 1.40 H new ATOM 0 HG2 MET A 171 -3.110 6.445 -18.063 1.00 1.67 H new ATOM 0 HG3 MET A 171 -2.684 8.122 -18.342 1.00 1.67 H new ATOM 0 HE1 MET A 171 -1.324 5.842 -14.557 1.00 1.77 H new ATOM 0 HE2 MET A 171 -2.996 6.025 -15.136 1.00 1.77 H new ATOM 0 HE3 MET A 171 -1.883 4.914 -15.968 1.00 1.77 H new ATOM 2637 N GLU A 172 -6.676 6.108 -17.738 1.00 1.43 N ATOM 2638 CA GLU A 172 -7.279 4.920 -18.352 1.00 1.58 C ATOM 2639 C GLU A 172 -7.913 5.246 -19.704 1.00 1.73 C ATOM 2640 O GLU A 172 -7.880 4.430 -20.627 1.00 2.00 O ATOM 2641 CB GLU A 172 -8.357 4.313 -17.450 1.00 1.62 C ATOM 2642 CG GLU A 172 -7.849 3.767 -16.128 1.00 2.05 C ATOM 2643 CD GLU A 172 -8.889 2.913 -15.424 1.00 2.83 C ATOM 2644 OE1 GLU A 172 -9.922 3.463 -14.979 1.00 3.31 O ATOM 2645 OE2 GLU A 172 -8.687 1.684 -15.334 1.00 3.45 O ATOM 0 H GLU A 172 -6.990 6.293 -16.785 1.00 1.43 H new ATOM 0 HA GLU A 172 -6.470 4.204 -18.493 1.00 1.58 H new ATOM 0 HB2 GLU A 172 -9.111 5.073 -17.247 1.00 1.62 H new ATOM 0 HB3 GLU A 172 -8.854 3.508 -17.992 1.00 1.62 H new ATOM 0 HG2 GLU A 172 -6.951 3.174 -16.302 1.00 2.05 H new ATOM 0 HG3 GLU A 172 -7.562 4.596 -15.480 1.00 2.05 H new ATOM 2652 N GLU A 173 -8.483 6.443 -19.814 1.00 1.74 N ATOM 2653 CA GLU A 173 -9.167 6.860 -21.035 1.00 2.08 C ATOM 2654 C GLU A 173 -8.174 7.023 -22.186 1.00 2.36 C ATOM 2655 O GLU A 173 -8.542 6.921 -23.359 1.00 2.69 O ATOM 2656 CB GLU A 173 -9.932 8.164 -20.792 1.00 2.29 C ATOM 2657 CG GLU A 173 -10.754 8.626 -21.985 1.00 2.72 C ATOM 2658 CD GLU A 173 -11.548 9.885 -21.698 1.00 2.95 C ATOM 2659 OE1 GLU A 173 -10.933 10.966 -21.567 1.00 3.36 O ATOM 2660 OE2 GLU A 173 -12.794 9.803 -21.613 1.00 3.18 O ATOM 0 H GLU A 173 -8.485 7.142 -19.071 1.00 1.74 H new ATOM 0 HA GLU A 173 -9.880 6.084 -21.314 1.00 2.08 H new ATOM 0 HB2 GLU A 173 -10.594 8.032 -19.936 1.00 2.29 H new ATOM 0 HB3 GLU A 173 -9.221 8.947 -20.527 1.00 2.29 H new ATOM 0 HG2 GLU A 173 -10.090 8.805 -22.831 1.00 2.72 H new ATOM 0 HG3 GLU A 173 -11.438 7.830 -22.280 1.00 2.72 H new ATOM 2667 N LEU A 174 -6.914 7.266 -21.851 1.00 2.34 N ATOM 2668 CA LEU A 174 -5.869 7.377 -22.859 1.00 2.77 C ATOM 2669 C LEU A 174 -5.100 6.065 -22.964 1.00 2.83 C ATOM 2670 O LEU A 174 -5.330 5.271 -23.875 1.00 3.15 O ATOM 2671 CB LEU A 174 -4.898 8.528 -22.548 1.00 3.04 C ATOM 2672 CG LEU A 174 -5.464 9.952 -22.671 1.00 3.65 C ATOM 2673 CD1 LEU A 174 -6.197 10.130 -23.993 1.00 4.14 C ATOM 2674 CD2 LEU A 174 -6.374 10.284 -21.499 1.00 4.09 C ATOM 0 H LEU A 174 -6.591 7.390 -20.891 1.00 2.34 H new ATOM 0 HA LEU A 174 -6.352 7.594 -23.812 1.00 2.77 H new ATOM 0 HB2 LEU A 174 -4.525 8.395 -21.532 1.00 3.04 H new ATOM 0 HB3 LEU A 174 -4.041 8.442 -23.216 1.00 3.04 H new ATOM 0 HG LEU A 174 -4.625 10.648 -22.650 1.00 3.65 H new ATOM 0 HD11 LEU A 174 -6.589 11.145 -24.058 1.00 4.14 H new ATOM 0 HD12 LEU A 174 -5.507 9.954 -24.818 1.00 4.14 H new ATOM 0 HD13 LEU A 174 -7.021 9.419 -24.051 1.00 4.14 H new ATOM 0 HD21 LEU A 174 -6.759 11.297 -21.613 1.00 4.09 H new ATOM 0 HD22 LEU A 174 -7.206 9.580 -21.473 1.00 4.09 H new ATOM 0 HD23 LEU A 174 -5.810 10.213 -20.569 1.00 4.09 H new ATOM 2686 N LYS A 175 -4.215 5.833 -22.005 1.00 2.71 N ATOM 2687 CA LYS A 175 -3.387 4.634 -21.979 1.00 2.98 C ATOM 2688 C LYS A 175 -2.618 4.571 -20.664 1.00 2.92 C ATOM 2689 O LYS A 175 -2.197 5.600 -20.143 1.00 3.27 O ATOM 2690 CB LYS A 175 -2.410 4.635 -23.160 1.00 3.56 C ATOM 2691 CG LYS A 175 -1.621 3.345 -23.310 1.00 3.99 C ATOM 2692 CD LYS A 175 -0.705 3.394 -24.522 1.00 4.91 C ATOM 2693 CE LYS A 175 -1.489 3.594 -25.810 1.00 5.73 C ATOM 2694 NZ LYS A 175 -0.599 3.728 -26.992 1.00 6.31 N ATOM 0 H LYS A 175 -4.050 6.469 -21.224 1.00 2.71 H new ATOM 0 HA LYS A 175 -4.030 3.758 -22.062 1.00 2.98 H new ATOM 0 HB2 LYS A 175 -2.967 4.817 -24.079 1.00 3.56 H new ATOM 0 HB3 LYS A 175 -1.712 5.464 -23.041 1.00 3.56 H new ATOM 0 HG2 LYS A 175 -1.029 3.172 -22.411 1.00 3.99 H new ATOM 0 HG3 LYS A 175 -2.309 2.505 -23.405 1.00 3.99 H new ATOM 0 HD2 LYS A 175 0.013 4.205 -24.403 1.00 4.91 H new ATOM 0 HD3 LYS A 175 -0.133 2.468 -24.584 1.00 4.91 H new ATOM 0 HE2 LYS A 175 -2.163 2.750 -25.958 1.00 5.73 H new ATOM 0 HE3 LYS A 175 -2.110 4.486 -25.721 1.00 5.73 H new ATOM 0 HZ1 LYS A 175 -1.175 3.863 -27.847 1.00 6.31 H new ATOM 0 HZ2 LYS A 175 0.027 4.548 -26.864 1.00 6.31 H new ATOM 0 HZ3 LYS A 175 -0.025 2.867 -27.094 1.00 6.31 H new ATOM 2708 N ALA A 176 -2.450 3.368 -20.130 1.00 3.23 N ATOM 2709 CA ALA A 176 -1.746 3.185 -18.868 1.00 3.81 C ATOM 2710 C ALA A 176 -0.777 2.010 -18.949 1.00 4.06 C ATOM 2711 O ALA A 176 -1.182 0.853 -18.816 1.00 4.47 O ATOM 2712 CB ALA A 176 -2.741 2.980 -17.734 1.00 4.57 C ATOM 0 H ALA A 176 -2.792 2.504 -20.552 1.00 3.23 H new ATOM 0 HA ALA A 176 -1.166 4.086 -18.666 1.00 3.81 H new ATOM 0 HB1 ALA A 176 -2.201 2.844 -16.797 1.00 4.57 H new ATOM 0 HB2 ALA A 176 -3.389 3.853 -17.657 1.00 4.57 H new ATOM 0 HB3 ALA A 176 -3.346 2.096 -17.936 1.00 4.57 H new ATOM 2718 N ASN A 177 0.494 2.324 -19.184 1.00 4.28 N ATOM 2719 CA ASN A 177 1.559 1.319 -19.271 1.00 4.87 C ATOM 2720 C ASN A 177 2.912 1.974 -19.581 1.00 5.36 C ATOM 2721 O ASN A 177 3.887 1.724 -18.876 1.00 5.81 O ATOM 2722 CB ASN A 177 1.246 0.233 -20.315 1.00 5.37 C ATOM 2723 CG ASN A 177 2.356 -0.798 -20.432 1.00 5.96 C ATOM 2724 OD1 ASN A 177 3.249 -0.677 -21.274 1.00 6.37 O ATOM 2725 ND2 ASN A 177 2.315 -1.815 -19.585 1.00 6.38 N ATOM 0 H ASN A 177 0.819 3.281 -19.320 1.00 4.28 H new ATOM 0 HA ASN A 177 1.616 0.837 -18.295 1.00 4.87 H new ATOM 0 HB2 ASN A 177 0.316 -0.268 -20.046 1.00 5.37 H new ATOM 0 HB3 ASN A 177 1.086 0.702 -21.286 1.00 5.37 H new ATOM 0 HD21 ASN A 177 3.039 -2.533 -19.615 1.00 6.38 H new ATOM 0 HD22 ASN A 177 1.560 -1.880 -18.903 1.00 6.38 H new ATOM 2732 N PRO A 178 3.005 2.804 -20.650 1.00 5.69 N ATOM 2733 CA PRO A 178 4.240 3.521 -20.989 1.00 6.51 C ATOM 2734 C PRO A 178 4.719 4.426 -19.855 1.00 7.07 C ATOM 2735 O PRO A 178 4.041 5.436 -19.570 1.00 7.39 O ATOM 2736 CB PRO A 178 3.865 4.361 -22.218 1.00 6.95 C ATOM 2737 CG PRO A 178 2.377 4.394 -22.232 1.00 6.50 C ATOM 2738 CD PRO A 178 1.935 3.100 -21.618 1.00 5.73 C ATOM 2739 OXT PRO A 178 5.776 4.126 -19.263 1.00 7.47 O ATOM 0 HA PRO A 178 5.061 2.828 -21.173 1.00 6.51 H new ATOM 0 HB2 PRO A 178 4.280 5.366 -22.149 1.00 6.95 H new ATOM 0 HB3 PRO A 178 4.257 3.917 -23.133 1.00 6.95 H new ATOM 0 HG2 PRO A 178 1.999 5.245 -21.665 1.00 6.50 H new ATOM 0 HG3 PRO A 178 1.997 4.494 -23.249 1.00 6.50 H new ATOM 0 HD2 PRO A 178 0.965 3.197 -21.129 1.00 5.73 H new ATOM 0 HD3 PRO A 178 1.838 2.312 -22.365 1.00 5.73 H new TER 2747 PRO A 178