USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 860 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 7 ASN : amide:sc= -0.228 K(o=0.96,f=-1.9!) USER MOD Set 1.2: B 3 U O2' : rot -35:sc= 1.19 USER MOD Set 2.1: A 83 ASN : amide:sc= 0.539 K(o=1.6,f=-0.013) USER MOD Set 2.2: A 89 LYS NZ :NH3+ -173:sc= 1.01 (180deg=0.978) USER MOD Set 3.1: A 59 ASN : amide:sc= -1.14 K(o=-1.4,f=-6.8!) USER MOD Set 3.2: A 62 ASN : amide:sc= -0.266 K(o=-1.4,f=-4.2) USER MOD Set 4.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 47 SER OG : rot -105:sc= 0.0951 USER MOD Set 4.3: A 49 HIS : no HD1:sc= -2.44 X(o=-2.3,f=-1.9) USER MOD Set 5.1: A 16 SER OG : rot 180:sc= -0.0275 USER MOD Set 5.2: A 56 GLN : amide:sc= 1.12 K(o=1.1,f=-3.3!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.104 K(o=-0.1,f=-3.1) USER MOD Single : A 6 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0778) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -142:sc= -0.375 (180deg=-1.84) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 22 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.5!) USER MOD Single : A 24 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.61) USER MOD Single : A 25 THR OG1 : rot -8:sc= 0.937 USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00958) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 38 SER OG : rot -29:sc= 0.0911 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -86:sc= 0.0229 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 33:sc= -0.557 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -30:sc= -0.893 USER MOD Single : A 74 MET CE :methyl 179:sc= -1.14 (180deg=-1.15) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0869 F(o=-0.97,f=-0.087) USER MOD Single : A 91 ASN : amide:sc=-0.00109 K(o=-0.0011,f=-2.5!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= 1.3 (180deg=1.07) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -165:sc= -0.0196 (180deg=-0.32) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 U O2' : rot -36:sc= 0.836 USER MOD Single : B 1 U O5' : rot -20:sc= 0.268 USER MOD Single : B 2 U O2' : rot 13:sc= 0.204 USER MOD Single : B 4 U O2' : rot 147:sc= 0.46 USER MOD Single : B 5 C O2' : rot -30:sc= 0.159 USER MOD Single : B 5 C O3' : rot 180:sc= 0.146 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.937 8.137 -5.704 1.00 0.00 N ATOM 2 CA ALA A 2 9.814 8.877 -5.108 1.00 0.00 C ATOM 3 C ALA A 2 10.185 9.400 -3.720 1.00 0.00 C ATOM 4 O ALA A 2 11.199 9.001 -3.154 1.00 0.00 O ATOM 5 CB ALA A 2 8.562 7.997 -5.036 1.00 0.00 C ATOM 0 HA ALA A 2 9.594 9.732 -5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.744 8.564 -4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.281 7.681 -6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.769 7.119 -4.424 1.00 0.00 H new ATOM 13 N SER A 3 9.358 10.298 -3.170 1.00 0.00 N ATOM 14 CA SER A 3 9.584 10.871 -1.847 1.00 0.00 C ATOM 15 C SER A 3 9.393 9.815 -0.759 1.00 0.00 C ATOM 16 O SER A 3 8.751 8.794 -0.993 1.00 0.00 O ATOM 17 CB SER A 3 8.633 12.047 -1.624 1.00 0.00 C ATOM 18 OG SER A 3 8.863 13.034 -2.607 1.00 0.00 O ATOM 0 H SER A 3 8.517 10.644 -3.632 1.00 0.00 H new ATOM 0 HA SER A 3 10.612 11.229 -1.791 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.599 11.706 -1.672 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.785 12.467 -0.630 1.00 0.00 H new ATOM 0 HG SER A 3 8.252 13.787 -2.464 1.00 0.00 H new ATOM 24 N ASN A 4 9.950 10.060 0.430 1.00 0.00 N ATOM 25 CA ASN A 4 9.847 9.139 1.553 1.00 0.00 C ATOM 26 C ASN A 4 8.602 9.409 2.404 1.00 0.00 C ATOM 27 O ASN A 4 8.427 8.793 3.454 1.00 0.00 O ATOM 28 CB ASN A 4 11.133 9.181 2.386 1.00 0.00 C ATOM 29 CG ASN A 4 11.395 10.535 3.034 1.00 0.00 C ATOM 30 OD1 ASN A 4 10.668 11.501 2.823 1.00 0.00 O ATOM 31 ND2 ASN A 4 12.451 10.619 3.839 1.00 0.00 N ATOM 0 H ASN A 4 10.484 10.904 0.636 1.00 0.00 H new ATOM 0 HA ASN A 4 9.730 8.130 1.158 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.077 8.420 3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 4 11.978 8.923 1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.673 11.502 4.298 1.00 0.00 H new ATOM 0 HD22 ASN A 4 13.038 9.800 3.997 1.00 0.00 H new ATOM 38 N VAL A 5 7.736 10.328 1.961 1.00 0.00 N ATOM 39 CA VAL A 5 6.535 10.706 2.691 1.00 0.00 C ATOM 40 C VAL A 5 5.336 9.906 2.199 1.00 0.00 C ATOM 41 O VAL A 5 5.130 9.768 0.994 1.00 0.00 O ATOM 42 CB VAL A 5 6.306 12.211 2.557 1.00 0.00 C ATOM 43 CG1 VAL A 5 5.002 12.636 3.230 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.452 12.969 3.229 1.00 0.00 C ATOM 0 H VAL A 5 7.855 10.829 1.081 1.00 0.00 H new ATOM 0 HA VAL A 5 6.665 10.474 3.748 1.00 0.00 H new ATOM 0 HB VAL A 5 6.256 12.443 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.868 13.712 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.165 12.115 2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.041 12.384 4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.285 14.042 3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.494 12.703 4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.394 12.703 2.750 1.00 0.00 H new ATOM 54 N THR A 6 4.546 9.380 3.143 1.00 0.00 N ATOM 55 CA THR A 6 3.350 8.601 2.841 1.00 0.00 C ATOM 56 C THR A 6 2.258 8.807 3.888 1.00 0.00 C ATOM 57 O THR A 6 1.224 8.145 3.826 1.00 0.00 O ATOM 58 CB THR A 6 3.683 7.103 2.754 1.00 0.00 C ATOM 59 OG1 THR A 6 4.284 6.666 3.951 1.00 0.00 O ATOM 60 CG2 THR A 6 4.642 6.794 1.607 1.00 0.00 C ATOM 0 H THR A 6 4.724 9.486 4.142 1.00 0.00 H new ATOM 0 HA THR A 6 2.980 8.953 1.878 1.00 0.00 H new ATOM 0 HB THR A 6 2.741 6.584 2.580 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.589 6.461 4.610 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.849 5.724 1.584 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.189 7.096 0.663 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.573 7.341 1.754 1.00 0.00 H new ATOM 68 N ASN A 7 2.450 9.707 4.857 1.00 0.00 N ATOM 69 CA ASN A 7 1.468 9.898 5.914 1.00 0.00 C ATOM 70 C ASN A 7 0.647 11.165 5.673 1.00 0.00 C ATOM 71 O ASN A 7 1.167 12.277 5.762 1.00 0.00 O ATOM 72 CB ASN A 7 2.180 9.905 7.264 1.00 0.00 C ATOM 73 CG ASN A 7 1.211 9.934 8.436 1.00 0.00 C ATOM 74 OD1 ASN A 7 -0.004 10.009 8.268 1.00 0.00 O ATOM 75 ND2 ASN A 7 1.753 9.874 9.647 1.00 0.00 N ATOM 0 H ASN A 7 3.271 10.308 4.927 1.00 0.00 H new ATOM 0 HA ASN A 7 0.757 9.072 5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.812 9.020 7.342 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.838 10.773 7.319 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.156 9.890 10.474 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.766 9.812 9.750 1.00 0.00 H new ATOM 82 N LYS A 8 -0.641 10.973 5.368 1.00 0.00 N ATOM 83 CA LYS A 8 -1.610 12.044 5.141 1.00 0.00 C ATOM 84 C LYS A 8 -2.985 11.572 5.604 1.00 0.00 C ATOM 85 O LYS A 8 -3.224 10.367 5.664 1.00 0.00 O ATOM 86 CB LYS A 8 -1.660 12.414 3.657 1.00 0.00 C ATOM 87 CG LYS A 8 -0.339 13.017 3.182 1.00 0.00 C ATOM 88 CD LYS A 8 -0.505 13.473 1.732 1.00 0.00 C ATOM 89 CE LYS A 8 0.755 14.168 1.210 1.00 0.00 C ATOM 90 NZ LYS A 8 1.916 13.256 1.196 1.00 0.00 N ATOM 0 H LYS A 8 -1.046 10.042 5.270 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.311 12.927 5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.888 11.526 3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.468 13.126 3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.059 13.860 3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.462 12.281 3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.733 12.612 1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.353 14.154 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.574 14.541 0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.979 15.033 1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.714 13.717 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.189 13.026 2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.665 12.382 0.692 1.00 0.00 H new ATOM 104 N THR A 9 -3.885 12.500 5.930 1.00 0.00 N ATOM 105 CA THR A 9 -5.219 12.159 6.417 1.00 0.00 C ATOM 106 C THR A 9 -6.304 12.950 5.691 1.00 0.00 C ATOM 107 O THR A 9 -7.449 12.991 6.139 1.00 0.00 O ATOM 108 CB THR A 9 -5.306 12.358 7.934 1.00 0.00 C ATOM 109 OG1 THR A 9 -5.009 13.697 8.261 1.00 0.00 O ATOM 110 CG2 THR A 9 -4.321 11.439 8.658 1.00 0.00 C ATOM 0 H THR A 9 -3.710 13.503 5.864 1.00 0.00 H new ATOM 0 HA THR A 9 -5.393 11.105 6.201 1.00 0.00 H new ATOM 0 HB THR A 9 -6.320 12.114 8.251 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.068 13.818 9.232 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.400 11.597 9.734 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.555 10.400 8.426 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.306 11.664 8.331 1.00 0.00 H new ATOM 118 N ASP A 10 -5.954 13.586 4.568 1.00 0.00 N ATOM 119 CA ASP A 10 -6.896 14.356 3.770 1.00 0.00 C ATOM 120 C ASP A 10 -7.927 13.433 3.120 1.00 0.00 C ATOM 121 O ASP A 10 -7.644 12.256 2.891 1.00 0.00 O ATOM 122 CB ASP A 10 -6.126 15.155 2.715 1.00 0.00 C ATOM 123 CG ASP A 10 -5.123 16.107 3.358 1.00 0.00 C ATOM 124 OD1 ASP A 10 -5.516 17.260 3.639 1.00 0.00 O ATOM 125 OD2 ASP A 10 -3.968 15.670 3.560 1.00 0.00 O ATOM 0 H ASP A 10 -5.006 13.577 4.192 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.437 15.050 4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.603 14.470 2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.827 15.722 2.103 1.00 0.00 H new ATOM 130 N PRO A 11 -9.128 13.948 2.812 1.00 0.00 N ATOM 131 CA PRO A 11 -10.236 13.181 2.258 1.00 0.00 C ATOM 132 C PRO A 11 -9.976 12.702 0.822 1.00 0.00 C ATOM 133 O PRO A 11 -10.903 12.247 0.149 1.00 0.00 O ATOM 134 CB PRO A 11 -11.450 14.107 2.339 1.00 0.00 C ATOM 135 CG PRO A 11 -10.822 15.496 2.223 1.00 0.00 C ATOM 136 CD PRO A 11 -9.522 15.333 3.003 1.00 0.00 C ATOM 0 HA PRO A 11 -10.388 12.260 2.821 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.160 13.915 1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.991 13.984 3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.641 15.775 1.185 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.460 16.268 2.653 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.755 16.014 2.634 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.667 15.558 4.060 1.00 0.00 H new ATOM 144 N ARG A 12 -8.730 12.803 0.343 1.00 0.00 N ATOM 145 CA ARG A 12 -8.349 12.271 -0.961 1.00 0.00 C ATOM 146 C ARG A 12 -6.930 11.716 -0.925 1.00 0.00 C ATOM 147 O ARG A 12 -6.628 10.747 -1.621 1.00 0.00 O ATOM 148 CB ARG A 12 -8.482 13.385 -2.006 1.00 0.00 C ATOM 149 CG ARG A 12 -9.203 12.890 -3.259 1.00 0.00 C ATOM 150 CD ARG A 12 -8.395 11.840 -4.025 1.00 0.00 C ATOM 151 NE ARG A 12 -9.123 11.385 -5.215 1.00 0.00 N ATOM 152 CZ ARG A 12 -10.032 10.405 -5.213 1.00 0.00 C ATOM 153 NH1 ARG A 12 -10.361 9.786 -4.082 1.00 0.00 N ATOM 154 NH2 ARG A 12 -10.620 10.037 -6.346 1.00 0.00 N ATOM 0 H ARG A 12 -7.966 13.253 0.848 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.010 11.447 -1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.029 14.225 -1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.492 13.753 -2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.167 12.467 -2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.407 13.736 -3.915 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.433 12.260 -4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.186 10.991 -3.375 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.922 11.847 -6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.918 10.058 -3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.056 9.040 -4.093 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.378 10.503 -7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.313 9.289 -6.341 1.00 0.00 H new ATOM 168 N SER A 13 -6.051 12.319 -0.118 1.00 0.00 N ATOM 169 CA SER A 13 -4.650 11.921 -0.059 1.00 0.00 C ATOM 170 C SER A 13 -4.442 10.646 0.749 1.00 0.00 C ATOM 171 O SER A 13 -3.397 10.013 0.615 1.00 0.00 O ATOM 172 CB SER A 13 -3.810 13.058 0.523 1.00 0.00 C ATOM 173 OG SER A 13 -4.077 14.265 -0.158 1.00 0.00 O ATOM 0 H SER A 13 -6.292 13.089 0.506 1.00 0.00 H new ATOM 0 HA SER A 13 -4.328 11.710 -1.079 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.030 13.175 1.584 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.751 12.814 0.442 1.00 0.00 H new ATOM 0 HG SER A 13 -3.534 14.984 0.226 1.00 0.00 H new ATOM 179 N MET A 14 -5.408 10.248 1.585 1.00 0.00 N ATOM 180 CA MET A 14 -5.303 8.975 2.286 1.00 0.00 C ATOM 181 C MET A 14 -6.044 7.868 1.544 1.00 0.00 C ATOM 182 O MET A 14 -6.081 6.729 2.006 1.00 0.00 O ATOM 183 CB MET A 14 -5.733 9.115 3.750 1.00 0.00 C ATOM 184 CG MET A 14 -7.234 8.956 3.983 1.00 0.00 C ATOM 185 SD MET A 14 -7.699 8.908 5.739 1.00 0.00 S ATOM 186 CE MET A 14 -6.667 7.530 6.326 1.00 0.00 C ATOM 0 H MET A 14 -6.254 10.781 1.787 1.00 0.00 H new ATOM 0 HA MET A 14 -4.255 8.676 2.301 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.204 8.370 4.344 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.422 10.094 4.116 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.757 9.781 3.500 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.572 8.039 3.501 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.225 6.943 7.056 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.393 6.896 5.483 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.764 7.924 6.792 1.00 0.00 H new ATOM 196 N ASN A 15 -6.632 8.202 0.391 1.00 0.00 N ATOM 197 CA ASN A 15 -7.372 7.247 -0.419 1.00 0.00 C ATOM 198 C ASN A 15 -6.592 6.903 -1.685 1.00 0.00 C ATOM 199 O ASN A 15 -6.843 5.877 -2.308 1.00 0.00 O ATOM 200 CB ASN A 15 -8.755 7.826 -0.729 1.00 0.00 C ATOM 201 CG ASN A 15 -9.404 8.378 0.533 1.00 0.00 C ATOM 202 OD1 ASN A 15 -9.574 9.586 0.670 1.00 0.00 O ATOM 203 ND2 ASN A 15 -9.767 7.502 1.465 1.00 0.00 N ATOM 0 H ASN A 15 -6.605 9.143 -0.001 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.506 6.314 0.129 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.665 8.617 -1.473 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.390 7.053 -1.162 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.202 7.827 2.328 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.610 6.505 1.317 1.00 0.00 H new ATOM 210 N SER A 16 -5.641 7.761 -2.061 1.00 0.00 N ATOM 211 CA SER A 16 -4.688 7.485 -3.126 1.00 0.00 C ATOM 212 C SER A 16 -3.468 6.739 -2.589 1.00 0.00 C ATOM 213 O SER A 16 -2.513 6.501 -3.325 1.00 0.00 O ATOM 214 CB SER A 16 -4.296 8.792 -3.808 1.00 0.00 C ATOM 215 OG SER A 16 -3.755 9.691 -2.866 1.00 0.00 O ATOM 0 H SER A 16 -5.514 8.675 -1.627 1.00 0.00 H new ATOM 0 HA SER A 16 -5.155 6.835 -3.867 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.567 8.596 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.169 9.237 -4.286 1.00 0.00 H new ATOM 0 HG SER A 16 -3.506 10.525 -3.316 1.00 0.00 H new ATOM 221 N ARG A 17 -3.492 6.366 -1.305 1.00 0.00 N ATOM 222 CA ARG A 17 -2.426 5.607 -0.667 1.00 0.00 C ATOM 223 C ARG A 17 -2.805 4.132 -0.581 1.00 0.00 C ATOM 224 O ARG A 17 -3.987 3.793 -0.560 1.00 0.00 O ATOM 225 CB ARG A 17 -2.143 6.180 0.723 1.00 0.00 C ATOM 226 CG ARG A 17 -0.952 5.452 1.351 1.00 0.00 C ATOM 227 CD ARG A 17 -0.375 6.251 2.513 1.00 0.00 C ATOM 228 NE ARG A 17 -1.374 6.503 3.555 1.00 0.00 N ATOM 229 CZ ARG A 17 -1.943 7.692 3.779 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.687 8.737 2.996 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.779 7.827 4.798 1.00 0.00 N ATOM 0 H ARG A 17 -4.264 6.588 -0.677 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.520 5.688 -1.267 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.932 7.247 0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.023 6.072 1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.266 4.469 1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.181 5.291 0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.468 5.709 2.942 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.011 7.201 2.144 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.653 5.721 4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.047 8.639 2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.131 9.636 3.184 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.982 7.029 5.401 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.220 8.729 4.980 1.00 0.00 H new ATOM 245 N VAL A 18 -1.798 3.262 -0.527 1.00 0.00 N ATOM 246 CA VAL A 18 -1.992 1.832 -0.398 1.00 0.00 C ATOM 247 C VAL A 18 -1.165 1.295 0.759 1.00 0.00 C ATOM 248 O VAL A 18 0.026 1.578 0.871 1.00 0.00 O ATOM 249 CB VAL A 18 -1.637 1.138 -1.713 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.783 -0.373 -1.577 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.587 1.632 -2.802 1.00 0.00 C ATOM 0 H VAL A 18 -0.818 3.540 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.040 1.625 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.604 1.371 -1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.526 -0.850 -2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.115 -0.734 -0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.813 -0.617 -1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.344 1.144 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.614 1.394 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.482 2.711 -2.914 1.00 0.00 H new ATOM 261 N PHE A 19 -1.820 0.513 1.615 1.00 0.00 N ATOM 262 CA PHE A 19 -1.190 -0.180 2.724 1.00 0.00 C ATOM 263 C PHE A 19 -0.660 -1.523 2.235 1.00 0.00 C ATOM 264 O PHE A 19 -1.372 -2.251 1.543 1.00 0.00 O ATOM 265 CB PHE A 19 -2.232 -0.363 3.832 1.00 0.00 C ATOM 266 CG PHE A 19 -1.774 -1.188 5.015 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.523 -0.964 5.608 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.620 -2.184 5.527 1.00 0.00 C ATOM 269 CE1 PHE A 19 -0.119 -1.738 6.704 1.00 0.00 C ATOM 270 CE2 PHE A 19 -2.212 -2.960 6.622 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.961 -2.738 7.210 1.00 0.00 C ATOM 0 H PHE A 19 -2.824 0.344 1.551 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.351 0.392 3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.535 0.621 4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.117 -0.832 3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.129 -0.195 5.220 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.587 -2.353 5.077 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.844 -1.564 7.160 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.863 -3.729 7.011 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.645 -3.336 8.052 1.00 0.00 H new ATOM 281 N ILE A 20 0.584 -1.858 2.593 1.00 0.00 N ATOM 282 CA ILE A 20 1.200 -3.125 2.228 1.00 0.00 C ATOM 283 C ILE A 20 1.604 -3.833 3.513 1.00 0.00 C ATOM 284 O ILE A 20 2.752 -3.756 3.949 1.00 0.00 O ATOM 285 CB ILE A 20 2.395 -2.895 1.292 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.950 -2.195 0.000 1.00 0.00 C ATOM 287 CG2 ILE A 20 3.074 -4.228 0.941 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.147 -1.582 -0.726 1.00 0.00 C ATOM 0 H ILE A 20 1.189 -1.251 3.146 1.00 0.00 H new ATOM 0 HA ILE A 20 0.498 -3.753 1.679 1.00 0.00 H new ATOM 0 HB ILE A 20 3.107 -2.257 1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.451 -2.911 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.224 -1.417 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.918 -4.043 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.429 -4.707 1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.357 -4.881 0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.807 -1.092 -1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.629 -0.850 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.860 -2.367 -0.980 1.00 0.00 H new ATOM 300 N GLY A 21 0.646 -4.525 4.118 1.00 0.00 N ATOM 301 CA GLY A 21 0.873 -5.293 5.331 1.00 0.00 C ATOM 302 C GLY A 21 1.411 -6.680 5.006 1.00 0.00 C ATOM 303 O GLY A 21 1.486 -7.070 3.842 1.00 0.00 O ATOM 0 H GLY A 21 -0.314 -4.568 3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.579 -4.766 5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.059 -5.382 5.889 1.00 0.00 H new ATOM 307 N ASN A 22 1.789 -7.430 6.044 1.00 0.00 N ATOM 308 CA ASN A 22 2.349 -8.764 5.897 1.00 0.00 C ATOM 309 C ASN A 22 3.463 -8.775 4.846 1.00 0.00 C ATOM 310 O ASN A 22 3.469 -9.617 3.954 1.00 0.00 O ATOM 311 CB ASN A 22 1.238 -9.777 5.594 1.00 0.00 C ATOM 312 CG ASN A 22 1.735 -11.215 5.693 1.00 0.00 C ATOM 313 OD1 ASN A 22 2.735 -11.499 6.350 1.00 0.00 O ATOM 314 ND2 ASN A 22 1.039 -12.142 5.040 1.00 0.00 N ATOM 0 H ASN A 22 1.712 -7.122 7.013 1.00 0.00 H new ATOM 0 HA ASN A 22 2.809 -9.064 6.839 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.413 -9.630 6.291 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.846 -9.597 4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.331 -13.119 5.076 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.213 -11.876 4.503 1.00 0.00 H new ATOM 321 N LEU A 23 4.402 -7.833 4.954 1.00 0.00 N ATOM 322 CA LEU A 23 5.532 -7.726 4.040 1.00 0.00 C ATOM 323 C LEU A 23 6.777 -8.318 4.701 1.00 0.00 C ATOM 324 O LEU A 23 6.936 -8.214 5.914 1.00 0.00 O ATOM 325 CB LEU A 23 5.699 -6.250 3.657 1.00 0.00 C ATOM 326 CG LEU A 23 6.842 -5.986 2.672 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.633 -6.714 1.346 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.910 -4.491 2.398 1.00 0.00 C ATOM 0 H LEU A 23 4.396 -7.120 5.684 1.00 0.00 H new ATOM 0 HA LEU A 23 5.365 -8.293 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.767 -5.891 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.872 -5.668 4.562 1.00 0.00 H new ATOM 0 HG LEU A 23 7.766 -6.354 3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.467 -6.499 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.579 -7.788 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.704 -6.376 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.720 -4.286 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.966 -4.156 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.094 -3.958 3.331 1.00 0.00 H new ATOM 340 N ASN A 24 7.664 -8.938 3.917 1.00 0.00 N ATOM 341 CA ASN A 24 8.844 -9.576 4.481 1.00 0.00 C ATOM 342 C ASN A 24 9.841 -8.542 5.006 1.00 0.00 C ATOM 343 O ASN A 24 10.477 -8.767 6.030 1.00 0.00 O ATOM 344 CB ASN A 24 9.502 -10.451 3.412 1.00 0.00 C ATOM 345 CG ASN A 24 10.587 -11.327 4.024 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.407 -11.891 5.101 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.722 -11.450 3.348 1.00 0.00 N ATOM 0 H ASN A 24 7.584 -9.008 2.903 1.00 0.00 H new ATOM 0 HA ASN A 24 8.536 -10.193 5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.749 -11.077 2.934 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.933 -9.821 2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.477 -12.026 3.720 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.839 -10.968 2.457 1.00 0.00 H new ATOM 354 N THR A 25 9.959 -7.419 4.287 1.00 0.00 N ATOM 355 CA THR A 25 10.826 -6.278 4.593 1.00 0.00 C ATOM 356 C THR A 25 12.293 -6.628 4.850 1.00 0.00 C ATOM 357 O THR A 25 13.072 -5.762 5.249 1.00 0.00 O ATOM 358 CB THR A 25 10.242 -5.407 5.707 1.00 0.00 C ATOM 359 OG1 THR A 25 10.199 -6.095 6.936 1.00 0.00 O ATOM 360 CG2 THR A 25 8.825 -4.982 5.336 1.00 0.00 C ATOM 0 H THR A 25 9.423 -7.276 3.431 1.00 0.00 H new ATOM 0 HA THR A 25 10.845 -5.692 3.674 1.00 0.00 H new ATOM 0 HB THR A 25 10.888 -4.536 5.818 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.427 -7.037 6.792 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.411 -4.362 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.847 -4.413 4.406 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.202 -5.867 5.205 1.00 0.00 H new ATOM 368 N LEU A 26 12.675 -7.888 4.624 1.00 0.00 N ATOM 369 CA LEU A 26 14.052 -8.349 4.754 1.00 0.00 C ATOM 370 C LEU A 26 14.718 -8.487 3.384 1.00 0.00 C ATOM 371 O LEU A 26 15.940 -8.607 3.305 1.00 0.00 O ATOM 372 CB LEU A 26 14.062 -9.689 5.494 1.00 0.00 C ATOM 373 CG LEU A 26 14.363 -9.534 6.990 1.00 0.00 C ATOM 374 CD1 LEU A 26 13.303 -8.698 7.712 1.00 0.00 C ATOM 375 CD2 LEU A 26 14.410 -10.916 7.637 1.00 0.00 C ATOM 0 H LEU A 26 12.026 -8.622 4.342 1.00 0.00 H new ATOM 0 HA LEU A 26 14.621 -7.613 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.094 -10.175 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.808 -10.343 5.043 1.00 0.00 H new ATOM 0 HG LEU A 26 15.320 -9.020 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.561 -8.617 8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.263 -7.702 7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.330 -9.179 7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.624 -10.813 8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.448 -11.412 7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.192 -11.512 7.166 1.00 0.00 H new ATOM 387 N VAL A 27 13.921 -8.469 2.312 1.00 0.00 N ATOM 388 CA VAL A 27 14.426 -8.565 0.946 1.00 0.00 C ATOM 389 C VAL A 27 13.875 -7.430 0.088 1.00 0.00 C ATOM 390 O VAL A 27 14.447 -7.110 -0.953 1.00 0.00 O ATOM 391 CB VAL A 27 14.066 -9.941 0.368 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.599 -10.115 -1.053 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.667 -11.057 1.224 1.00 0.00 C ATOM 0 H VAL A 27 12.906 -8.387 2.371 1.00 0.00 H new ATOM 0 HA VAL A 27 15.511 -8.465 0.949 1.00 0.00 H new ATOM 0 HB VAL A 27 12.978 -10.000 0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.324 -11.101 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.170 -9.349 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.685 -10.019 -1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.401 -12.025 0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.752 -10.955 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.277 -10.987 2.239 1.00 0.00 H new ATOM 403 N VAL A 28 12.769 -6.811 0.514 1.00 0.00 N ATOM 404 CA VAL A 28 12.181 -5.686 -0.205 1.00 0.00 C ATOM 405 C VAL A 28 12.404 -4.390 0.567 1.00 0.00 C ATOM 406 O VAL A 28 12.246 -4.354 1.790 1.00 0.00 O ATOM 407 CB VAL A 28 10.695 -5.942 -0.458 1.00 0.00 C ATOM 408 CG1 VAL A 28 10.067 -4.777 -1.223 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.524 -7.208 -1.294 1.00 0.00 C ATOM 0 H VAL A 28 12.263 -7.076 1.359 1.00 0.00 H new ATOM 0 HA VAL A 28 12.672 -5.583 -1.173 1.00 0.00 H new ATOM 0 HB VAL A 28 10.203 -6.052 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.010 -4.981 -1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.172 -3.861 -0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.571 -4.657 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.463 -7.386 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.036 -7.086 -2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.950 -8.057 -0.760 1.00 0.00 H new ATOM 419 N LYS A 29 12.771 -3.323 -0.151 1.00 0.00 N ATOM 420 CA LYS A 29 13.056 -2.012 0.421 1.00 0.00 C ATOM 421 C LYS A 29 12.233 -0.946 -0.297 1.00 0.00 C ATOM 422 O LYS A 29 11.587 -1.222 -1.306 1.00 0.00 O ATOM 423 CB LYS A 29 14.554 -1.691 0.296 1.00 0.00 C ATOM 424 CG LYS A 29 15.460 -2.405 1.312 1.00 0.00 C ATOM 425 CD LYS A 29 15.649 -3.909 1.080 1.00 0.00 C ATOM 426 CE LYS A 29 16.065 -4.237 -0.356 1.00 0.00 C ATOM 427 NZ LYS A 29 17.359 -3.626 -0.710 1.00 0.00 N ATOM 0 H LYS A 29 12.879 -3.352 -1.165 1.00 0.00 H new ATOM 0 HA LYS A 29 12.788 -2.021 1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.884 -1.954 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.690 -0.615 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.439 -1.927 1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.046 -2.257 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.405 -4.287 1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.719 -4.428 1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.130 -5.318 -0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.297 -3.885 -1.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.636 -3.928 -1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.272 -2.590 -0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 18.084 -3.928 -0.028 1.00 0.00 H new ATOM 441 N LYS A 30 12.262 0.280 0.228 1.00 0.00 N ATOM 442 CA LYS A 30 11.536 1.417 -0.331 1.00 0.00 C ATOM 443 C LYS A 30 12.070 1.841 -1.699 1.00 0.00 C ATOM 444 O LYS A 30 11.503 2.726 -2.339 1.00 0.00 O ATOM 445 CB LYS A 30 11.572 2.562 0.680 1.00 0.00 C ATOM 446 CG LYS A 30 13.005 2.961 1.045 1.00 0.00 C ATOM 447 CD LYS A 30 13.057 3.397 2.508 1.00 0.00 C ATOM 448 CE LYS A 30 12.163 4.614 2.760 1.00 0.00 C ATOM 449 NZ LYS A 30 12.177 4.996 4.187 1.00 0.00 N ATOM 0 H LYS A 30 12.798 0.512 1.064 1.00 0.00 H new ATOM 0 HA LYS A 30 10.502 1.122 -0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.049 3.425 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.037 2.266 1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.680 2.121 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.343 3.773 0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.740 2.572 3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.085 3.636 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.504 5.452 2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.142 4.390 2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.563 5.823 4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.829 4.202 4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.149 5.232 4.474 1.00 0.00 H new ATOM 463 N SER A 31 13.158 1.208 -2.139 1.00 0.00 N ATOM 464 CA SER A 31 13.728 1.411 -3.464 1.00 0.00 C ATOM 465 C SER A 31 13.229 0.348 -4.443 1.00 0.00 C ATOM 466 O SER A 31 13.424 0.469 -5.651 1.00 0.00 O ATOM 467 CB SER A 31 15.246 1.350 -3.353 1.00 0.00 C ATOM 468 OG SER A 31 15.640 0.136 -2.744 1.00 0.00 O ATOM 0 H SER A 31 13.672 0.532 -1.575 1.00 0.00 H new ATOM 0 HA SER A 31 13.418 2.384 -3.845 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.694 1.432 -4.343 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.610 2.194 -2.768 1.00 0.00 H new ATOM 0 HG SER A 31 16.617 0.105 -2.678 1.00 0.00 H new ATOM 474 N ASP A 32 12.584 -0.694 -3.914 1.00 0.00 N ATOM 475 CA ASP A 32 12.031 -1.794 -4.683 1.00 0.00 C ATOM 476 C ASP A 32 10.515 -1.656 -4.809 1.00 0.00 C ATOM 477 O ASP A 32 9.943 -2.023 -5.835 1.00 0.00 O ATOM 478 CB ASP A 32 12.384 -3.098 -3.974 1.00 0.00 C ATOM 479 CG ASP A 32 13.866 -3.429 -4.107 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.324 -3.610 -5.258 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.536 -3.499 -3.053 1.00 0.00 O ATOM 0 H ASP A 32 12.432 -0.792 -2.910 1.00 0.00 H new ATOM 0 HA ASP A 32 12.450 -1.787 -5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.122 -3.021 -2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.791 -3.911 -4.392 1.00 0.00 H new ATOM 486 N VAL A 33 9.851 -1.129 -3.777 1.00 0.00 N ATOM 487 CA VAL A 33 8.404 -0.977 -3.805 1.00 0.00 C ATOM 488 C VAL A 33 8.033 0.053 -4.867 1.00 0.00 C ATOM 489 O VAL A 33 6.966 -0.033 -5.473 1.00 0.00 O ATOM 490 CB VAL A 33 7.922 -0.555 -2.415 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.423 -0.260 -2.416 1.00 0.00 C ATOM 492 CG2 VAL A 33 8.166 -1.674 -1.404 1.00 0.00 C ATOM 0 H VAL A 33 10.295 -0.803 -2.918 1.00 0.00 H new ATOM 0 HA VAL A 33 7.919 -1.919 -4.062 1.00 0.00 H new ATOM 0 HB VAL A 33 8.479 0.342 -2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.110 0.037 -1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.212 0.547 -3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.876 -1.154 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.818 -1.358 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.622 -2.567 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.232 -1.896 -1.357 1.00 0.00 H new ATOM 502 N GLU A 34 8.911 1.030 -5.104 1.00 0.00 N ATOM 503 CA GLU A 34 8.688 2.051 -6.122 1.00 0.00 C ATOM 504 C GLU A 34 9.029 1.540 -7.525 1.00 0.00 C ATOM 505 O GLU A 34 9.037 2.317 -8.477 1.00 0.00 O ATOM 506 CB GLU A 34 9.448 3.335 -5.778 1.00 0.00 C ATOM 507 CG GLU A 34 10.963 3.113 -5.775 1.00 0.00 C ATOM 508 CD GLU A 34 11.729 4.407 -5.494 1.00 0.00 C ATOM 509 OE1 GLU A 34 11.079 5.421 -5.158 1.00 0.00 O ATOM 510 OE2 GLU A 34 12.974 4.373 -5.618 1.00 0.00 O ATOM 0 H GLU A 34 9.790 1.133 -4.598 1.00 0.00 H new ATOM 0 HA GLU A 34 7.624 2.289 -6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.195 4.112 -6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.131 3.694 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.219 2.369 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.273 2.710 -6.739 1.00 0.00 H new ATOM 517 N ALA A 35 9.307 0.239 -7.654 1.00 0.00 N ATOM 518 CA ALA A 35 9.573 -0.397 -8.936 1.00 0.00 C ATOM 519 C ALA A 35 8.656 -1.601 -9.156 1.00 0.00 C ATOM 520 O ALA A 35 8.615 -2.153 -10.253 1.00 0.00 O ATOM 521 CB ALA A 35 11.047 -0.805 -8.986 1.00 0.00 C ATOM 0 H ALA A 35 9.353 -0.402 -6.862 1.00 0.00 H new ATOM 0 HA ALA A 35 9.366 0.308 -9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.260 -1.283 -9.942 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.673 0.080 -8.875 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.259 -1.503 -8.176 1.00 0.00 H new ATOM 527 N ILE A 36 7.913 -2.010 -8.118 1.00 0.00 N ATOM 528 CA ILE A 36 6.977 -3.127 -8.200 1.00 0.00 C ATOM 529 C ILE A 36 5.537 -2.622 -8.195 1.00 0.00 C ATOM 530 O ILE A 36 4.653 -3.270 -8.748 1.00 0.00 O ATOM 531 CB ILE A 36 7.236 -4.072 -7.017 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.656 -4.640 -7.109 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.210 -5.210 -7.011 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.105 -5.240 -5.775 1.00 0.00 C ATOM 0 H ILE A 36 7.948 -1.571 -7.198 1.00 0.00 H new ATOM 0 HA ILE A 36 7.128 -3.668 -9.134 1.00 0.00 H new ATOM 0 HB ILE A 36 7.136 -3.512 -6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.694 -5.405 -7.885 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.347 -3.851 -7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.406 -5.872 -6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.206 -4.795 -6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.287 -5.774 -7.940 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.116 -5.634 -5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.091 -4.468 -5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.428 -6.046 -5.492 1.00 0.00 H new ATOM 546 N PHE A 37 5.300 -1.468 -7.571 1.00 0.00 N ATOM 547 CA PHE A 37 3.976 -0.874 -7.502 1.00 0.00 C ATOM 548 C PHE A 37 3.832 0.268 -8.508 1.00 0.00 C ATOM 549 O PHE A 37 2.734 0.782 -8.705 1.00 0.00 O ATOM 550 CB PHE A 37 3.705 -0.423 -6.068 1.00 0.00 C ATOM 551 CG PHE A 37 3.486 -1.568 -5.103 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.583 -2.264 -4.580 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.184 -1.938 -4.738 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.384 -3.337 -3.702 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.983 -3.010 -3.857 1.00 0.00 C ATOM 556 CZ PHE A 37 3.082 -3.710 -3.337 1.00 0.00 C ATOM 0 H PHE A 37 6.023 -0.924 -7.101 1.00 0.00 H new ATOM 0 HA PHE A 37 3.226 -1.616 -7.775 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.545 0.178 -5.720 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.826 0.222 -6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.586 -1.972 -4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.337 -1.398 -5.135 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.232 -3.876 -3.307 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.980 -3.297 -3.578 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.926 -4.534 -2.657 1.00 0.00 H new ATOM 566 N SER A 38 4.934 0.674 -9.148 1.00 0.00 N ATOM 567 CA SER A 38 4.914 1.772 -10.106 1.00 0.00 C ATOM 568 C SER A 38 4.241 1.352 -11.412 1.00 0.00 C ATOM 569 O SER A 38 3.906 2.197 -12.241 1.00 0.00 O ATOM 570 CB SER A 38 6.347 2.249 -10.343 1.00 0.00 C ATOM 571 OG SER A 38 6.363 3.395 -11.166 1.00 0.00 O ATOM 0 H SER A 38 5.853 0.252 -9.015 1.00 0.00 H new ATOM 0 HA SER A 38 4.327 2.596 -9.701 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.823 2.474 -9.389 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.928 1.453 -10.809 1.00 0.00 H new ATOM 0 HG SER A 38 5.590 3.376 -11.768 1.00 0.00 H new ATOM 577 N LYS A 39 4.039 0.044 -11.601 1.00 0.00 N ATOM 578 CA LYS A 39 3.403 -0.494 -12.797 1.00 0.00 C ATOM 579 C LYS A 39 1.876 -0.462 -12.699 1.00 0.00 C ATOM 580 O LYS A 39 1.196 -0.694 -13.696 1.00 0.00 O ATOM 581 CB LYS A 39 3.925 -1.907 -13.030 1.00 0.00 C ATOM 582 CG LYS A 39 3.480 -2.828 -11.895 1.00 0.00 C ATOM 583 CD LYS A 39 4.356 -4.077 -11.853 1.00 0.00 C ATOM 584 CE LYS A 39 4.239 -4.869 -13.157 1.00 0.00 C ATOM 585 NZ LYS A 39 5.076 -6.079 -13.125 1.00 0.00 N ATOM 0 H LYS A 39 4.314 -0.669 -10.925 1.00 0.00 H new ATOM 0 HA LYS A 39 3.659 0.133 -13.651 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.555 -2.287 -13.982 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.013 -1.895 -13.093 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.542 -2.300 -10.943 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.437 -3.111 -12.035 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.395 -3.792 -11.688 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.060 -4.706 -11.013 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.199 -5.148 -13.323 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.538 -4.240 -13.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.975 -6.595 -14.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.071 -5.809 -12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.774 -6.690 -12.339 1.00 0.00 H new ATOM 599 N TYR A 40 1.338 -0.178 -11.506 1.00 0.00 N ATOM 600 CA TYR A 40 -0.106 -0.075 -11.296 1.00 0.00 C ATOM 601 C TYR A 40 -0.537 1.379 -11.126 1.00 0.00 C ATOM 602 O TYR A 40 -1.725 1.687 -11.213 1.00 0.00 O ATOM 603 CB TYR A 40 -0.504 -0.918 -10.086 1.00 0.00 C ATOM 604 CG TYR A 40 -0.082 -2.362 -10.231 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.784 -3.215 -11.094 1.00 0.00 C ATOM 606 CD2 TYR A 40 1.023 -2.840 -9.514 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.366 -4.540 -11.266 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.453 -4.163 -9.683 1.00 0.00 C ATOM 609 CZ TYR A 40 0.764 -5.015 -10.570 1.00 0.00 C ATOM 610 OH TYR A 40 1.190 -6.298 -10.753 1.00 0.00 O ATOM 0 H TYR A 40 1.891 -0.014 -10.665 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.621 -0.458 -12.177 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.051 -0.498 -9.188 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.585 -0.869 -9.951 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.649 -2.849 -11.627 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.544 -2.187 -8.830 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.908 -5.197 -11.930 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.309 -4.529 -9.136 1.00 0.00 H new ATOM 0 HH TYR A 40 0.697 -6.895 -10.152 1.00 0.00 H new ATOM 620 N GLY A 41 0.419 2.279 -10.887 1.00 0.00 N ATOM 621 CA GLY A 41 0.140 3.703 -10.821 1.00 0.00 C ATOM 622 C GLY A 41 1.407 4.520 -10.620 1.00 0.00 C ATOM 623 O GLY A 41 2.428 3.997 -10.180 1.00 0.00 O ATOM 0 H GLY A 41 1.398 2.038 -10.736 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.354 4.019 -11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.553 3.900 -10.003 1.00 0.00 H new ATOM 627 N LYS A 42 1.336 5.812 -10.948 1.00 0.00 N ATOM 628 CA LYS A 42 2.447 6.732 -10.782 1.00 0.00 C ATOM 629 C LYS A 42 2.634 7.011 -9.295 1.00 0.00 C ATOM 630 O LYS A 42 1.764 7.609 -8.665 1.00 0.00 O ATOM 631 CB LYS A 42 2.142 8.007 -11.573 1.00 0.00 C ATOM 632 CG LYS A 42 3.146 9.121 -11.269 1.00 0.00 C ATOM 633 CD LYS A 42 2.812 10.340 -12.127 1.00 0.00 C ATOM 634 CE LYS A 42 3.611 11.535 -11.618 1.00 0.00 C ATOM 635 NZ LYS A 42 3.370 12.735 -12.444 1.00 0.00 N ATOM 0 H LYS A 42 0.499 6.245 -11.338 1.00 0.00 H new ATOM 0 HA LYS A 42 3.377 6.310 -11.163 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.158 7.785 -12.640 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.135 8.350 -11.334 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.109 9.383 -10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.160 8.781 -11.477 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.052 10.143 -13.172 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.744 10.553 -12.080 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.338 11.743 -10.583 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.674 11.294 -11.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.928 13.530 -12.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.653 12.543 -13.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.359 12.978 -12.416 1.00 0.00 H new ATOM 649 N ILE A 43 3.768 6.579 -8.745 1.00 0.00 N ATOM 650 CA ILE A 43 4.064 6.747 -7.330 1.00 0.00 C ATOM 651 C ILE A 43 4.632 8.138 -7.085 1.00 0.00 C ATOM 652 O ILE A 43 5.572 8.563 -7.753 1.00 0.00 O ATOM 653 CB ILE A 43 5.004 5.627 -6.869 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.276 4.288 -7.030 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.417 5.820 -5.408 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.142 3.090 -6.641 1.00 0.00 C ATOM 0 H ILE A 43 4.503 6.104 -9.269 1.00 0.00 H new ATOM 0 HA ILE A 43 3.153 6.668 -6.736 1.00 0.00 H new ATOM 0 HB ILE A 43 5.909 5.646 -7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.375 4.294 -6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.955 4.177 -8.066 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.083 5.011 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.932 6.774 -5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.530 5.812 -4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.573 2.170 -6.776 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.030 3.063 -7.272 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.442 3.181 -5.597 1.00 0.00 H new ATOM 668 N VAL A 44 4.055 8.845 -6.108 1.00 0.00 N ATOM 669 CA VAL A 44 4.495 10.179 -5.716 1.00 0.00 C ATOM 670 C VAL A 44 5.186 10.142 -4.355 1.00 0.00 C ATOM 671 O VAL A 44 5.732 11.147 -3.905 1.00 0.00 O ATOM 672 CB VAL A 44 3.315 11.154 -5.722 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.711 11.256 -7.121 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.223 10.718 -4.743 1.00 0.00 C ATOM 0 H VAL A 44 3.263 8.501 -5.565 1.00 0.00 H new ATOM 0 HA VAL A 44 5.224 10.534 -6.444 1.00 0.00 H new ATOM 0 HB VAL A 44 3.699 12.126 -5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.874 11.953 -7.106 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.468 11.613 -7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.360 10.274 -7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.401 11.433 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.856 9.731 -5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.633 10.679 -3.734 1.00 0.00 H new ATOM 684 N GLY A 45 5.157 8.977 -3.699 1.00 0.00 N ATOM 685 CA GLY A 45 5.819 8.766 -2.425 1.00 0.00 C ATOM 686 C GLY A 45 5.758 7.291 -2.042 1.00 0.00 C ATOM 687 O GLY A 45 4.796 6.598 -2.368 1.00 0.00 O ATOM 0 H GLY A 45 4.667 8.153 -4.047 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.858 9.091 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.342 9.370 -1.654 1.00 0.00 H new ATOM 691 N CYS A 46 6.792 6.808 -1.350 1.00 0.00 N ATOM 692 CA CYS A 46 6.860 5.425 -0.918 1.00 0.00 C ATOM 693 C CYS A 46 7.722 5.317 0.336 1.00 0.00 C ATOM 694 O CYS A 46 8.703 6.039 0.486 1.00 0.00 O ATOM 695 CB CYS A 46 7.445 4.573 -2.045 1.00 0.00 C ATOM 696 SG CYS A 46 7.498 2.843 -1.522 1.00 0.00 S ATOM 0 H CYS A 46 7.599 7.369 -1.078 1.00 0.00 H new ATOM 0 HA CYS A 46 5.859 5.063 -0.682 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.838 4.674 -2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.448 4.920 -2.296 1.00 0.00 H new ATOM 0 HG CYS A 46 6.494 2.597 -0.733 1.00 0.00 H new ATOM 702 N SER A 47 7.354 4.407 1.239 1.00 0.00 N ATOM 703 CA SER A 47 8.121 4.165 2.445 1.00 0.00 C ATOM 704 C SER A 47 7.935 2.723 2.899 1.00 0.00 C ATOM 705 O SER A 47 6.846 2.168 2.783 1.00 0.00 O ATOM 706 CB SER A 47 7.690 5.136 3.541 1.00 0.00 C ATOM 707 OG SER A 47 8.546 4.989 4.657 1.00 0.00 O ATOM 0 H SER A 47 6.521 3.825 1.149 1.00 0.00 H new ATOM 0 HA SER A 47 9.178 4.328 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.728 6.161 3.171 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.658 4.940 3.831 1.00 0.00 H new ATOM 0 HG SER A 47 8.078 4.501 5.366 1.00 0.00 H new ATOM 713 N VAL A 48 9.010 2.124 3.415 1.00 0.00 N ATOM 714 CA VAL A 48 8.988 0.766 3.927 1.00 0.00 C ATOM 715 C VAL A 48 9.376 0.780 5.400 1.00 0.00 C ATOM 716 O VAL A 48 10.194 1.594 5.833 1.00 0.00 O ATOM 717 CB VAL A 48 9.911 -0.133 3.102 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.993 -1.547 3.678 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.374 -0.230 1.677 1.00 0.00 C ATOM 0 H VAL A 48 9.922 2.576 3.487 1.00 0.00 H new ATOM 0 HA VAL A 48 7.982 0.355 3.841 1.00 0.00 H new ATOM 0 HB VAL A 48 10.907 0.310 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.658 -2.153 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.380 -1.503 4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.999 -1.995 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.028 -0.870 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.370 -0.654 1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.340 0.765 1.233 1.00 0.00 H new ATOM 729 N HIS A 49 8.776 -0.133 6.160 1.00 0.00 N ATOM 730 CA HIS A 49 8.949 -0.248 7.597 1.00 0.00 C ATOM 731 C HIS A 49 9.229 -1.710 7.923 1.00 0.00 C ATOM 732 O HIS A 49 9.578 -2.478 7.031 1.00 0.00 O ATOM 733 CB HIS A 49 7.674 0.259 8.277 1.00 0.00 C ATOM 734 CG HIS A 49 7.274 1.643 7.832 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.500 2.821 8.549 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.634 1.945 6.664 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.984 3.804 7.789 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.460 3.310 6.654 1.00 0.00 N ATOM 0 H HIS A 49 8.139 -0.831 5.777 1.00 0.00 H new ATOM 0 HA HIS A 49 9.786 0.350 7.958 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.858 -0.433 8.067 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.822 0.260 9.357 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.325 1.249 5.898 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.990 4.851 8.055 1.00 0.00 H new ATOM 0 HE2 HIS A 49 6.012 3.852 5.915 1.00 0.00 H new ATOM 746 N LYS A 50 9.084 -2.111 9.188 1.00 0.00 N ATOM 747 CA LYS A 50 9.291 -3.503 9.552 1.00 0.00 C ATOM 748 C LYS A 50 7.953 -4.241 9.509 1.00 0.00 C ATOM 749 O LYS A 50 7.053 -3.952 10.296 1.00 0.00 O ATOM 750 CB LYS A 50 9.969 -3.569 10.923 1.00 0.00 C ATOM 751 CG LYS A 50 10.854 -4.808 11.077 1.00 0.00 C ATOM 752 CD LYS A 50 10.078 -6.120 10.969 1.00 0.00 C ATOM 753 CE LYS A 50 11.018 -7.293 11.253 1.00 0.00 C ATOM 754 NZ LYS A 50 10.311 -8.584 11.128 1.00 0.00 N ATOM 0 H LYS A 50 8.828 -1.498 9.962 1.00 0.00 H new ATOM 0 HA LYS A 50 9.952 -4.000 8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.573 -2.674 11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.207 -3.571 11.702 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.631 -4.789 10.312 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.357 -4.769 12.043 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.249 -6.124 11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.646 -6.219 9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.858 -7.266 10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.431 -7.197 12.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.972 -9.362 11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.525 -8.616 11.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.938 -8.684 10.162 1.00 0.00 H new ATOM 768 N GLY A 51 7.835 -5.191 8.581 1.00 0.00 N ATOM 769 CA GLY A 51 6.641 -6.006 8.424 1.00 0.00 C ATOM 770 C GLY A 51 5.575 -5.353 7.545 1.00 0.00 C ATOM 771 O GLY A 51 4.615 -6.016 7.159 1.00 0.00 O ATOM 0 H GLY A 51 8.574 -5.414 7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.920 -6.967 7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.217 -6.210 9.407 1.00 0.00 H new ATOM 775 N PHE A 52 5.719 -4.064 7.215 1.00 0.00 N ATOM 776 CA PHE A 52 4.753 -3.378 6.368 1.00 0.00 C ATOM 777 C PHE A 52 5.412 -2.271 5.549 1.00 0.00 C ATOM 778 O PHE A 52 6.554 -1.889 5.806 1.00 0.00 O ATOM 779 CB PHE A 52 3.620 -2.794 7.217 1.00 0.00 C ATOM 780 CG PHE A 52 4.051 -1.710 8.179 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.540 -2.053 9.448 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.956 -0.365 7.802 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.940 -1.049 10.339 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.357 0.637 8.694 1.00 0.00 C ATOM 785 CZ PHE A 52 4.851 0.297 9.960 1.00 0.00 C ATOM 0 H PHE A 52 6.497 -3.481 7.524 1.00 0.00 H new ATOM 0 HA PHE A 52 4.342 -4.113 5.675 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.857 -2.390 6.552 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.155 -3.601 7.783 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.608 -3.091 9.738 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.575 -0.101 6.827 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.316 -1.312 11.317 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.285 1.675 8.405 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.163 1.072 10.644 1.00 0.00 H new ATOM 795 N ALA A 53 4.684 -1.759 4.556 1.00 0.00 N ATOM 796 CA ALA A 53 5.123 -0.656 3.715 1.00 0.00 C ATOM 797 C ALA A 53 3.924 0.177 3.260 1.00 0.00 C ATOM 798 O ALA A 53 2.775 -0.202 3.491 1.00 0.00 O ATOM 799 CB ALA A 53 5.882 -1.216 2.512 1.00 0.00 C ATOM 0 H ALA A 53 3.757 -2.109 4.313 1.00 0.00 H new ATOM 0 HA ALA A 53 5.786 -0.004 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.214 -0.395 1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.748 -1.780 2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.226 -1.873 1.942 1.00 0.00 H new ATOM 805 N PHE A 54 4.196 1.312 2.614 1.00 0.00 N ATOM 806 CA PHE A 54 3.181 2.220 2.108 1.00 0.00 C ATOM 807 C PHE A 54 3.588 2.785 0.752 1.00 0.00 C ATOM 808 O PHE A 54 4.770 3.012 0.492 1.00 0.00 O ATOM 809 CB PHE A 54 2.958 3.351 3.115 1.00 0.00 C ATOM 810 CG PHE A 54 1.973 3.000 4.202 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.604 2.971 3.901 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.410 2.713 5.503 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.331 2.657 4.895 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.475 2.386 6.496 1.00 0.00 C ATOM 815 CZ PHE A 54 0.107 2.362 6.192 1.00 0.00 C ATOM 0 H PHE A 54 5.148 1.626 2.427 1.00 0.00 H new ATOM 0 HA PHE A 54 2.250 1.670 1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.912 3.615 3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.603 4.235 2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.269 3.192 2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.463 2.744 5.740 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.386 2.642 4.662 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.810 2.152 7.496 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.611 2.115 6.960 1.00 0.00 H new ATOM 825 N VAL A 55 2.593 3.013 -0.110 1.00 0.00 N ATOM 826 CA VAL A 55 2.790 3.585 -1.433 1.00 0.00 C ATOM 827 C VAL A 55 1.725 4.638 -1.685 1.00 0.00 C ATOM 828 O VAL A 55 0.555 4.418 -1.384 1.00 0.00 O ATOM 829 CB VAL A 55 2.716 2.493 -2.504 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.826 3.096 -3.904 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.865 1.512 -2.324 1.00 0.00 C ATOM 0 H VAL A 55 1.618 2.801 0.100 1.00 0.00 H new ATOM 0 HA VAL A 55 3.777 4.045 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 55 1.757 1.986 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.771 2.301 -4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.008 3.799 -4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.778 3.619 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.806 0.738 -3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.813 2.042 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.800 1.053 -1.338 1.00 0.00 H new ATOM 841 N GLN A 56 2.134 5.776 -2.237 1.00 0.00 N ATOM 842 CA GLN A 56 1.254 6.900 -2.491 1.00 0.00 C ATOM 843 C GLN A 56 1.154 7.140 -3.993 1.00 0.00 C ATOM 844 O GLN A 56 2.171 7.216 -4.677 1.00 0.00 O ATOM 845 CB GLN A 56 1.827 8.118 -1.757 1.00 0.00 C ATOM 846 CG GLN A 56 0.892 9.327 -1.787 1.00 0.00 C ATOM 847 CD GLN A 56 -0.242 9.180 -0.781 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.013 8.966 0.408 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.477 9.293 -1.250 1.00 0.00 N ATOM 0 H GLN A 56 3.099 5.941 -2.522 1.00 0.00 H new ATOM 0 HA GLN A 56 0.246 6.705 -2.126 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.030 7.848 -0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.781 8.392 -2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.459 10.232 -1.569 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.478 9.444 -2.789 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.631 9.471 -2.242 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.273 9.202 -0.618 1.00 0.00 H new ATOM 858 N TYR A 57 -0.074 7.260 -4.504 1.00 0.00 N ATOM 859 CA TYR A 57 -0.334 7.502 -5.914 1.00 0.00 C ATOM 860 C TYR A 57 -0.904 8.899 -6.126 1.00 0.00 C ATOM 861 O TYR A 57 -1.136 9.635 -5.168 1.00 0.00 O ATOM 862 CB TYR A 57 -1.304 6.452 -6.452 1.00 0.00 C ATOM 863 CG TYR A 57 -0.763 5.042 -6.440 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.427 4.753 -7.122 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.450 4.025 -5.761 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.946 3.451 -7.113 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.931 2.727 -5.743 1.00 0.00 C ATOM 868 CZ TYR A 57 0.270 2.439 -6.412 1.00 0.00 C ATOM 869 OH TYR A 57 0.779 1.178 -6.380 1.00 0.00 O ATOM 0 H TYR A 57 -0.921 7.190 -3.939 1.00 0.00 H new ATOM 0 HA TYR A 57 0.608 7.430 -6.457 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.219 6.483 -5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.576 6.716 -7.474 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.945 5.536 -7.656 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.378 4.244 -5.253 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.861 3.227 -7.642 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.454 1.944 -5.214 1.00 0.00 H new ATOM 0 HH TYR A 57 1.280 1.006 -7.205 1.00 0.00 H new ATOM 879 N VAL A 58 -1.133 9.264 -7.390 1.00 0.00 N ATOM 880 CA VAL A 58 -1.706 10.556 -7.737 1.00 0.00 C ATOM 881 C VAL A 58 -3.189 10.591 -7.372 1.00 0.00 C ATOM 882 O VAL A 58 -3.706 11.654 -7.036 1.00 0.00 O ATOM 883 CB VAL A 58 -1.499 10.810 -9.236 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.261 12.056 -9.693 1.00 0.00 C ATOM 885 CG2 VAL A 58 -0.012 11.005 -9.525 1.00 0.00 C ATOM 0 H VAL A 58 -0.926 8.672 -8.194 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.207 11.345 -7.174 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.878 9.945 -9.781 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.097 12.212 -10.759 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.326 11.920 -9.506 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.904 12.924 -9.140 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.131 11.185 -10.590 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.360 11.860 -8.959 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.536 10.110 -9.232 1.00 0.00 H new ATOM 895 N ASN A 59 -3.880 9.446 -7.436 1.00 0.00 N ATOM 896 CA ASN A 59 -5.292 9.397 -7.080 1.00 0.00 C ATOM 897 C ASN A 59 -5.732 8.001 -6.641 1.00 0.00 C ATOM 898 O ASN A 59 -4.996 7.025 -6.790 1.00 0.00 O ATOM 899 CB ASN A 59 -6.140 9.912 -8.246 1.00 0.00 C ATOM 900 CG ASN A 59 -6.561 8.824 -9.219 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.753 8.581 -9.376 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.608 8.170 -9.870 1.00 0.00 N ATOM 0 H ASN A 59 -3.484 8.553 -7.729 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.444 10.048 -6.219 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.031 10.398 -7.849 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.576 10.673 -8.786 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.855 7.433 -10.531 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.628 8.404 -9.710 1.00 0.00 H new ATOM 909 N GLU A 60 -6.946 7.911 -6.094 1.00 0.00 N ATOM 910 CA GLU A 60 -7.517 6.673 -5.586 1.00 0.00 C ATOM 911 C GLU A 60 -7.625 5.599 -6.669 1.00 0.00 C ATOM 912 O GLU A 60 -7.532 4.416 -6.356 1.00 0.00 O ATOM 913 CB GLU A 60 -8.888 7.003 -5.003 1.00 0.00 C ATOM 914 CG GLU A 60 -9.632 5.758 -4.510 1.00 0.00 C ATOM 915 CD GLU A 60 -10.972 6.112 -3.869 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.456 7.244 -4.099 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.504 5.238 -3.146 1.00 0.00 O ATOM 0 H GLU A 60 -7.567 8.714 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.862 6.259 -4.819 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.768 7.702 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.490 7.506 -5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.798 5.079 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.013 5.227 -3.787 1.00 0.00 H new ATOM 924 N ARG A 61 -7.817 5.977 -7.938 1.00 0.00 N ATOM 925 CA ARG A 61 -7.928 4.991 -9.004 1.00 0.00 C ATOM 926 C ARG A 61 -6.655 4.155 -9.073 1.00 0.00 C ATOM 927 O ARG A 61 -6.709 2.948 -9.302 1.00 0.00 O ATOM 928 CB ARG A 61 -8.187 5.714 -10.332 1.00 0.00 C ATOM 929 CG ARG A 61 -8.046 4.795 -11.548 1.00 0.00 C ATOM 930 CD ARG A 61 -8.917 3.546 -11.428 1.00 0.00 C ATOM 931 NE ARG A 61 -10.343 3.887 -11.386 1.00 0.00 N ATOM 932 CZ ARG A 61 -11.313 3.010 -11.122 1.00 0.00 C ATOM 933 NH1 ARG A 61 -11.026 1.733 -10.876 1.00 0.00 N ATOM 934 NH2 ARG A 61 -12.583 3.405 -11.101 1.00 0.00 N ATOM 0 H ARG A 61 -7.897 6.947 -8.243 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.761 4.318 -8.803 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.191 6.139 -10.319 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.490 6.546 -10.429 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.321 5.343 -12.450 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.003 4.500 -11.660 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.725 2.885 -12.273 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.646 2.998 -10.526 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.609 4.854 -11.570 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.056 1.417 -10.888 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.776 1.071 -10.675 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.817 4.380 -11.287 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.323 2.733 -10.899 1.00 0.00 H new ATOM 948 N ASN A 62 -5.501 4.791 -8.871 1.00 0.00 N ATOM 949 CA ASN A 62 -4.236 4.079 -8.909 1.00 0.00 C ATOM 950 C ASN A 62 -4.076 3.179 -7.685 1.00 0.00 C ATOM 951 O ASN A 62 -3.353 2.188 -7.737 1.00 0.00 O ATOM 952 CB ASN A 62 -3.109 5.105 -8.991 1.00 0.00 C ATOM 953 CG ASN A 62 -3.014 5.702 -10.381 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.111 6.915 -10.549 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.823 4.854 -11.384 1.00 0.00 N ATOM 0 H ASN A 62 -5.422 5.790 -8.681 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.204 3.430 -9.784 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.281 5.897 -8.263 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.163 4.632 -8.730 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.751 5.203 -12.340 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.748 3.854 -11.199 1.00 0.00 H new ATOM 962 N ALA A 63 -4.751 3.515 -6.585 1.00 0.00 N ATOM 963 CA ALA A 63 -4.702 2.702 -5.380 1.00 0.00 C ATOM 964 C ALA A 63 -5.538 1.437 -5.558 1.00 0.00 C ATOM 965 O ALA A 63 -5.153 0.373 -5.084 1.00 0.00 O ATOM 966 CB ALA A 63 -5.197 3.520 -4.188 1.00 0.00 C ATOM 0 H ALA A 63 -5.337 4.346 -6.509 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.672 2.400 -5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.159 2.909 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.562 4.396 -4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.224 3.839 -4.367 1.00 0.00 H new ATOM 972 N ARG A 64 -6.678 1.549 -6.243 1.00 0.00 N ATOM 973 CA ARG A 64 -7.540 0.398 -6.479 1.00 0.00 C ATOM 974 C ARG A 64 -6.883 -0.574 -7.456 1.00 0.00 C ATOM 975 O ARG A 64 -7.172 -1.769 -7.422 1.00 0.00 O ATOM 976 CB ARG A 64 -8.894 0.851 -7.036 1.00 0.00 C ATOM 977 CG ARG A 64 -9.639 1.802 -6.095 1.00 0.00 C ATOM 978 CD ARG A 64 -9.955 1.162 -4.745 1.00 0.00 C ATOM 979 NE ARG A 64 -10.659 2.118 -3.884 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.259 1.804 -2.733 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.258 0.556 -2.269 1.00 0.00 N ATOM 982 NH2 ARG A 64 -11.870 2.753 -2.036 1.00 0.00 N ATOM 0 H ARG A 64 -7.021 2.423 -6.641 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.697 -0.110 -5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.739 1.345 -7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.515 -0.025 -7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.037 2.697 -5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.568 2.122 -6.568 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.568 0.273 -4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.033 0.838 -4.263 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.693 3.092 -4.186 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.792 -0.183 -2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.723 0.339 -1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.879 3.713 -2.380 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.331 2.523 -1.156 1.00 0.00 H new ATOM 996 N ALA A 65 -6.002 -0.070 -8.326 1.00 0.00 N ATOM 997 CA ALA A 65 -5.326 -0.911 -9.301 1.00 0.00 C ATOM 998 C ALA A 65 -4.180 -1.685 -8.651 1.00 0.00 C ATOM 999 O ALA A 65 -3.899 -2.817 -9.044 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.820 -0.027 -10.441 1.00 0.00 C ATOM 0 H ALA A 65 -5.745 0.916 -8.370 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.024 -1.648 -9.698 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.310 -0.644 -11.181 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.663 0.480 -10.910 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.125 0.714 -10.046 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.513 -1.095 -7.656 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.422 -1.765 -6.972 1.00 0.00 C ATOM 1008 C ALA A 66 -2.939 -2.713 -5.889 1.00 0.00 C ATOM 1009 O ALA A 66 -2.362 -3.774 -5.672 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.503 -0.702 -6.388 1.00 0.00 C ATOM 0 H ALA A 66 -3.714 -0.156 -7.312 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.868 -2.381 -7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.674 -1.183 -5.868 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.114 -0.077 -7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.062 -0.084 -5.685 1.00 0.00 H new ATOM 1016 N VAL A 67 -4.025 -2.340 -5.207 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.652 -3.203 -4.213 1.00 0.00 C ATOM 1018 C VAL A 67 -5.213 -4.450 -4.888 1.00 0.00 C ATOM 1019 O VAL A 67 -5.261 -5.512 -4.275 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.760 -2.423 -3.498 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.641 -3.330 -2.638 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.141 -1.371 -2.577 1.00 0.00 C ATOM 0 H VAL A 67 -4.488 -1.439 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.913 -3.520 -3.477 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.373 -1.963 -4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.412 -2.733 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.111 -4.085 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.029 -3.820 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.933 -0.819 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.510 -1.862 -1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.538 -0.681 -3.167 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.640 -4.338 -6.148 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.147 -5.481 -6.892 1.00 0.00 C ATOM 1034 C ALA A 68 -5.055 -6.141 -7.736 1.00 0.00 C ATOM 1035 O ALA A 68 -5.272 -7.226 -8.277 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.319 -5.030 -7.758 1.00 0.00 C ATOM 0 H ALA A 68 -5.642 -3.462 -6.671 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.489 -6.237 -6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.705 -5.881 -8.319 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.107 -4.627 -7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.983 -4.260 -8.452 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.889 -5.499 -7.858 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.796 -6.001 -8.679 1.00 0.00 C ATOM 1044 C GLY A 69 -1.677 -6.675 -7.879 1.00 0.00 C ATOM 1045 O GLY A 69 -0.833 -7.342 -8.473 1.00 0.00 O ATOM 0 H GLY A 69 -3.682 -4.618 -7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.194 -6.715 -9.400 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.374 -5.174 -9.250 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.652 -6.516 -6.552 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.557 -7.018 -5.719 1.00 0.00 C ATOM 1051 C GLU A 70 -1.055 -7.714 -4.453 1.00 0.00 C ATOM 1052 O GLU A 70 -0.307 -8.482 -3.851 1.00 0.00 O ATOM 1053 CB GLU A 70 0.351 -5.848 -5.334 1.00 0.00 C ATOM 1054 CG GLU A 70 1.232 -5.390 -6.496 1.00 0.00 C ATOM 1055 CD GLU A 70 2.372 -6.384 -6.718 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.316 -6.360 -5.898 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.303 -7.160 -7.695 1.00 0.00 O ATOM 0 H GLU A 70 -2.386 -6.039 -6.029 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.010 -7.760 -6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.261 -5.013 -4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.983 -6.142 -4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.634 -5.303 -7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.638 -4.401 -6.286 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.294 -7.477 -4.019 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.796 -8.148 -2.829 1.00 0.00 C ATOM 1066 C ASP A 71 -2.822 -9.660 -3.046 1.00 0.00 C ATOM 1067 O ASP A 71 -3.522 -10.151 -3.932 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.190 -7.629 -2.493 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.765 -8.333 -1.268 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -3.989 -8.551 -0.310 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -5.976 -8.648 -1.299 1.00 0.00 O ATOM 0 H ASP A 71 -2.953 -6.839 -4.465 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.132 -7.935 -1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.146 -6.555 -2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.852 -7.780 -3.346 1.00 0.00 H new ATOM 1076 N GLY A 72 -2.058 -10.399 -2.236 1.00 0.00 N ATOM 1077 CA GLY A 72 -2.013 -11.851 -2.337 1.00 0.00 C ATOM 1078 C GLY A 72 -0.969 -12.298 -3.350 1.00 0.00 C ATOM 1079 O GLY A 72 -0.909 -13.474 -3.705 1.00 0.00 O ATOM 0 H GLY A 72 -1.464 -10.010 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.784 -12.280 -1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.993 -12.229 -2.629 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.138 -11.358 -3.819 1.00 0.00 N ATOM 1084 CA ARG A 73 1.008 -11.687 -4.645 1.00 0.00 C ATOM 1085 C ARG A 73 2.066 -12.257 -3.709 1.00 0.00 C ATOM 1086 O ARG A 73 1.919 -12.160 -2.489 1.00 0.00 O ATOM 1087 CB ARG A 73 1.488 -10.450 -5.407 1.00 0.00 C ATOM 1088 CG ARG A 73 2.278 -9.501 -4.503 1.00 0.00 C ATOM 1089 CD ARG A 73 3.770 -9.609 -4.801 1.00 0.00 C ATOM 1090 NE ARG A 73 4.056 -9.073 -6.134 1.00 0.00 N ATOM 1091 CZ ARG A 73 4.932 -9.562 -7.016 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.674 -10.633 -6.749 1.00 0.00 N ATOM 1093 NH2 ARG A 73 5.066 -8.959 -8.192 1.00 0.00 N ATOM 0 H ARG A 73 -0.248 -10.361 -3.633 1.00 0.00 H new ATOM 0 HA ARG A 73 0.765 -12.424 -5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.113 -10.758 -6.245 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.630 -9.924 -5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.942 -8.476 -4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.090 -9.743 -3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.340 -9.061 -4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.086 -10.651 -4.744 1.00 0.00 H new ATOM 0 HE ARG A 73 3.534 -8.244 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.583 -11.105 -5.850 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.334 -10.982 -7.444 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.505 -8.136 -8.410 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.730 -9.319 -8.877 1.00 0.00 H new ATOM 1107 N MET A 74 3.126 -12.844 -4.252 1.00 0.00 N ATOM 1108 CA MET A 74 4.140 -13.466 -3.423 1.00 0.00 C ATOM 1109 C MET A 74 5.439 -12.696 -3.556 1.00 0.00 C ATOM 1110 O MET A 74 5.971 -12.556 -4.657 1.00 0.00 O ATOM 1111 CB MET A 74 4.281 -14.936 -3.809 1.00 0.00 C ATOM 1112 CG MET A 74 5.163 -15.659 -2.799 1.00 0.00 C ATOM 1113 SD MET A 74 4.919 -17.453 -2.782 1.00 0.00 S ATOM 1114 CE MET A 74 3.268 -17.498 -2.032 1.00 0.00 C ATOM 0 H MET A 74 3.301 -12.900 -5.255 1.00 0.00 H new ATOM 0 HA MET A 74 3.852 -13.436 -2.372 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.298 -15.406 -3.848 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.713 -15.019 -4.806 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.208 -15.444 -3.022 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.962 -15.263 -1.804 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.932 -18.532 -1.953 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.308 -17.052 -1.038 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.571 -16.937 -2.654 1.00 0.00 H new ATOM 1124 N ILE A 75 5.948 -12.198 -2.430 1.00 0.00 N ATOM 1125 CA ILE A 75 7.191 -11.445 -2.413 1.00 0.00 C ATOM 1126 C ILE A 75 8.115 -12.022 -1.351 1.00 0.00 C ATOM 1127 O ILE A 75 7.684 -12.326 -0.239 1.00 0.00 O ATOM 1128 CB ILE A 75 6.871 -9.953 -2.226 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.117 -9.260 -3.574 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.696 -9.323 -1.104 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.783 -7.765 -3.556 1.00 0.00 C ATOM 0 H ILE A 75 5.512 -12.306 -1.514 1.00 0.00 H new ATOM 0 HA ILE A 75 7.725 -11.531 -3.359 1.00 0.00 H new ATOM 0 HB ILE A 75 5.831 -9.830 -1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.162 -9.388 -3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.518 -9.750 -4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.436 -8.269 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.484 -9.835 -0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.757 -9.415 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.979 -7.336 -4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.731 -7.630 -3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.401 -7.263 -2.811 1.00 0.00 H new ATOM 1143 N ALA A 76 9.396 -12.172 -1.697 1.00 0.00 N ATOM 1144 CA ALA A 76 10.384 -12.821 -0.846 1.00 0.00 C ATOM 1145 C ALA A 76 9.947 -14.225 -0.419 1.00 0.00 C ATOM 1146 O ALA A 76 10.486 -14.780 0.538 1.00 0.00 O ATOM 1147 CB ALA A 76 10.713 -11.926 0.346 1.00 0.00 C ATOM 0 H ALA A 76 9.775 -11.842 -2.584 1.00 0.00 H new ATOM 0 HA ALA A 76 11.296 -12.961 -1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.452 -12.418 0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.114 -10.978 -0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.807 -11.742 0.924 1.00 0.00 H new ATOM 1153 N GLY A 77 8.966 -14.802 -1.122 1.00 0.00 N ATOM 1154 CA GLY A 77 8.439 -16.121 -0.818 1.00 0.00 C ATOM 1155 C GLY A 77 7.277 -16.064 0.171 1.00 0.00 C ATOM 1156 O GLY A 77 6.778 -17.109 0.588 1.00 0.00 O ATOM 0 H GLY A 77 8.517 -14.357 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.106 -16.599 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.234 -16.742 -0.406 1.00 0.00 H new ATOM 1160 N GLN A 78 6.835 -14.860 0.548 1.00 0.00 N ATOM 1161 CA GLN A 78 5.746 -14.668 1.488 1.00 0.00 C ATOM 1162 C GLN A 78 4.652 -13.792 0.870 1.00 0.00 C ATOM 1163 O GLN A 78 4.934 -12.740 0.303 1.00 0.00 O ATOM 1164 CB GLN A 78 6.355 -14.090 2.771 1.00 0.00 C ATOM 1165 CG GLN A 78 5.315 -13.635 3.793 1.00 0.00 C ATOM 1166 CD GLN A 78 5.476 -12.144 4.048 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.344 -11.344 2.994 1.00 0.00 O flip ATOM 1168 NE2 GLN A 78 5.719 -11.713 5.171 1.00 0.00 N flip ATOM 0 H GLN A 78 7.233 -13.987 0.201 1.00 0.00 H new ATOM 0 HA GLN A 78 5.248 -15.606 1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.997 -14.843 3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.991 -13.244 2.512 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.311 -13.846 3.425 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.437 -14.190 4.724 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.813 -12.358 5.955 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.827 -10.710 5.320 1.00 0.00 H new ATOM 1177 N VAL A 79 3.400 -14.235 0.989 1.00 0.00 N ATOM 1178 CA VAL A 79 2.225 -13.552 0.449 1.00 0.00 C ATOM 1179 C VAL A 79 2.035 -12.203 1.129 1.00 0.00 C ATOM 1180 O VAL A 79 2.223 -12.089 2.337 1.00 0.00 O ATOM 1181 CB VAL A 79 0.984 -14.426 0.670 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.252 -13.783 0.051 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.169 -15.798 0.028 1.00 0.00 C ATOM 0 H VAL A 79 3.170 -15.101 1.476 1.00 0.00 H new ATOM 0 HA VAL A 79 2.370 -13.384 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 79 0.851 -14.529 1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.118 -14.422 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.424 -12.809 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.099 -13.658 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.277 -16.402 0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.330 -15.680 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.032 -16.294 0.472 1.00 0.00 H new ATOM 1193 N LEU A 80 1.656 -11.185 0.353 1.00 0.00 N ATOM 1194 CA LEU A 80 1.389 -9.857 0.891 1.00 0.00 C ATOM 1195 C LEU A 80 -0.092 -9.671 1.204 1.00 0.00 C ATOM 1196 O LEU A 80 -0.947 -10.352 0.642 1.00 0.00 O ATOM 1197 CB LEU A 80 1.868 -8.780 -0.085 1.00 0.00 C ATOM 1198 CG LEU A 80 3.340 -8.940 -0.466 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.777 -7.705 -1.245 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.226 -9.070 0.768 1.00 0.00 C ATOM 0 H LEU A 80 1.528 -11.260 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 80 1.942 -9.757 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.258 -8.816 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.718 -7.797 0.362 1.00 0.00 H new ATOM 0 HG LEU A 80 3.444 -9.846 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.826 -7.803 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.169 -7.608 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.649 -6.819 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.265 -9.182 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.125 -8.177 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.922 -9.944 1.344 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.387 -8.739 2.112 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.752 -8.352 2.439 1.00 0.00 C ATOM 1214 C ASP A 81 -1.881 -6.854 2.184 1.00 0.00 C ATOM 1215 O ASP A 81 -1.512 -6.036 3.026 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.080 -8.706 3.894 1.00 0.00 C ATOM 1217 CG ASP A 81 -3.532 -8.372 4.242 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -4.312 -8.072 3.309 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -3.862 -8.419 5.446 1.00 0.00 O ATOM 0 H ASP A 81 0.322 -8.231 2.642 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.465 -8.894 1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.901 -9.768 4.060 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.411 -8.162 4.561 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.404 -6.501 1.010 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.429 -5.131 0.532 1.00 0.00 C ATOM 1226 C ILE A 82 -3.862 -4.619 0.514 1.00 0.00 C ATOM 1227 O ILE A 82 -4.785 -5.349 0.156 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.738 -5.078 -0.831 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.260 -5.421 -0.600 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -1.867 -3.696 -1.478 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.419 -5.851 -1.887 1.00 0.00 C ATOM 0 H ILE A 82 -2.824 -7.168 0.363 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.880 -4.466 1.198 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.208 -5.787 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.256 -4.554 -0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.182 -6.219 0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.363 -3.698 -2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.921 -3.457 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.408 -2.948 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.464 -6.086 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.081 -6.734 -2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.363 -5.042 -2.616 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.051 -3.357 0.907 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.382 -2.801 1.080 1.00 0.00 C ATOM 1245 C ASN A 83 -5.355 -1.278 0.949 1.00 0.00 C ATOM 1246 O ASN A 83 -4.317 -0.650 1.144 1.00 0.00 O ATOM 1247 CB ASN A 83 -5.873 -3.224 2.467 1.00 0.00 C ATOM 1248 CG ASN A 83 -7.382 -3.106 2.604 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -8.096 -4.100 2.505 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -7.876 -1.896 2.830 1.00 0.00 N ATOM 0 H ASN A 83 -3.293 -2.705 1.110 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.057 -3.172 0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.572 -4.254 2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.392 -2.606 3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.883 -1.766 2.928 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.249 -1.095 2.906 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.503 -0.678 0.622 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.676 0.765 0.612 1.00 0.00 C ATOM 1259 C LEU A 84 -6.392 1.283 2.024 1.00 0.00 C ATOM 1260 O LEU A 84 -6.925 0.744 2.994 1.00 0.00 O ATOM 1261 CB LEU A 84 -8.120 1.029 0.169 1.00 0.00 C ATOM 1262 CG LEU A 84 -8.411 2.416 -0.410 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -8.266 3.535 0.618 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -7.520 2.710 -1.613 1.00 0.00 C ATOM 0 H LEU A 84 -7.343 -1.192 0.355 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.998 1.278 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.390 0.283 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.775 0.872 1.026 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.454 2.392 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.485 4.493 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.963 3.367 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.246 3.545 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.750 3.702 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.474 2.673 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.699 1.965 -2.389 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.560 2.321 2.154 1.00 0.00 N ATOM 1277 CA ALA A 85 -5.092 2.800 3.449 1.00 0.00 C ATOM 1278 C ALA A 85 -6.185 3.391 4.346 1.00 0.00 C ATOM 1279 O ALA A 85 -5.873 3.842 5.448 1.00 0.00 O ATOM 1280 CB ALA A 85 -3.989 3.833 3.221 1.00 0.00 C ATOM 0 H ALA A 85 -5.195 2.850 1.362 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.720 1.928 3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.630 4.200 4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.165 3.371 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.385 4.666 2.640 1.00 0.00 H new ATOM 1286 N ALA A 86 -7.447 3.398 3.907 1.00 0.00 N ATOM 1287 CA ALA A 86 -8.527 3.988 4.682 1.00 0.00 C ATOM 1288 C ALA A 86 -9.772 3.103 4.731 1.00 0.00 C ATOM 1289 O ALA A 86 -10.791 3.507 5.287 1.00 0.00 O ATOM 1290 CB ALA A 86 -8.860 5.362 4.097 1.00 0.00 C ATOM 0 H ALA A 86 -7.740 2.999 3.015 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.189 4.089 5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.669 5.815 4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.979 6.001 4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.170 5.250 3.058 1.00 0.00 H new ATOM 1296 N GLU A 87 -9.706 1.901 4.153 1.00 0.00 N ATOM 1297 CA GLU A 87 -10.834 0.979 4.133 1.00 0.00 C ATOM 1298 C GLU A 87 -10.344 -0.452 4.345 1.00 0.00 C ATOM 1299 O GLU A 87 -10.494 -1.287 3.453 1.00 0.00 O ATOM 1300 CB GLU A 87 -11.588 1.097 2.803 1.00 0.00 C ATOM 1301 CG GLU A 87 -12.201 2.486 2.624 1.00 0.00 C ATOM 1302 CD GLU A 87 -13.111 2.536 1.397 1.00 0.00 C ATOM 1303 OE1 GLU A 87 -12.763 1.877 0.390 1.00 0.00 O ATOM 1304 OE2 GLU A 87 -14.146 3.233 1.470 1.00 0.00 O ATOM 0 H GLU A 87 -8.871 1.545 3.689 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.517 1.236 4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.906 0.891 1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.375 0.344 2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.772 2.752 3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.407 3.226 2.521 1.00 0.00 H new ATOM 1311 N PRO A 88 -9.759 -0.749 5.516 1.00 0.00 N ATOM 1312 CA PRO A 88 -9.236 -2.071 5.831 1.00 0.00 C ATOM 1313 C PRO A 88 -10.353 -3.107 5.699 1.00 0.00 C ATOM 1314 O PRO A 88 -11.471 -2.882 6.161 1.00 0.00 O ATOM 1315 CB PRO A 88 -8.655 -1.953 7.246 1.00 0.00 C ATOM 1316 CG PRO A 88 -9.374 -0.743 7.845 1.00 0.00 C ATOM 1317 CD PRO A 88 -9.581 0.159 6.632 1.00 0.00 C ATOM 0 HA PRO A 88 -8.455 -2.409 5.150 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.840 -2.855 7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.576 -1.804 7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.320 -1.023 8.308 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.775 -0.256 8.614 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.452 0.801 6.761 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.723 0.813 6.476 1.00 0.00 H new ATOM 1325 N LYS A 89 -10.037 -4.240 5.060 1.00 0.00 N ATOM 1326 CA LYS A 89 -11.006 -5.260 4.664 1.00 0.00 C ATOM 1327 C LYS A 89 -11.986 -5.633 5.777 1.00 0.00 C ATOM 1328 O LYS A 89 -13.182 -5.374 5.655 1.00 0.00 O ATOM 1329 CB LYS A 89 -10.272 -6.496 4.130 1.00 0.00 C ATOM 1330 CG LYS A 89 -8.953 -6.774 4.866 1.00 0.00 C ATOM 1331 CD LYS A 89 -8.369 -8.134 4.471 1.00 0.00 C ATOM 1332 CE LYS A 89 -8.043 -8.215 2.975 1.00 0.00 C ATOM 1333 NZ LYS A 89 -6.939 -7.310 2.598 1.00 0.00 N ATOM 0 H LYS A 89 -9.079 -4.475 4.800 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.617 -4.830 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.923 -7.366 4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.068 -6.360 3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.234 -5.987 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.123 -6.748 5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.463 -8.320 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.078 -8.920 4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.775 -9.240 2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.932 -7.963 2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.830 -7.307 1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.153 -6.346 2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.056 -7.638 3.038 1.00 0.00 H new ATOM 1347 N VAL A 90 -11.488 -6.235 6.862 1.00 0.00 N ATOM 1348 CA VAL A 90 -12.304 -6.605 8.014 1.00 0.00 C ATOM 1349 C VAL A 90 -11.475 -6.482 9.285 1.00 0.00 C ATOM 1350 O VAL A 90 -11.954 -5.989 10.304 1.00 0.00 O ATOM 1351 CB VAL A 90 -12.782 -8.056 7.875 1.00 0.00 C ATOM 1352 CG1 VAL A 90 -13.415 -8.521 9.187 1.00 0.00 C ATOM 1353 CG2 VAL A 90 -13.803 -8.202 6.751 1.00 0.00 C ATOM 0 H VAL A 90 -10.503 -6.479 6.962 1.00 0.00 H new ATOM 0 HA VAL A 90 -13.166 -5.940 8.063 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.914 -8.670 7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.753 -9.552 9.083 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.678 -8.460 9.988 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -14.266 -7.883 9.427 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -14.120 -9.242 6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -14.668 -7.572 6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.352 -7.896 5.807 1.00 0.00 H new ATOM 1363 N ASN A 91 -10.223 -6.937 9.214 1.00 0.00 N ATOM 1364 CA ASN A 91 -9.302 -6.939 10.330 1.00 0.00 C ATOM 1365 C ASN A 91 -7.902 -6.649 9.800 1.00 0.00 C ATOM 1366 O ASN A 91 -7.648 -6.812 8.606 1.00 0.00 O ATOM 1367 CB ASN A 91 -9.360 -8.296 11.036 1.00 0.00 C ATOM 1368 CG ASN A 91 -8.957 -9.444 10.116 1.00 0.00 C ATOM 1369 OD1 ASN A 91 -7.791 -9.815 10.052 1.00 0.00 O ATOM 1370 ND2 ASN A 91 -9.922 -10.011 9.396 1.00 0.00 N ATOM 0 H ASN A 91 -9.822 -7.320 8.358 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.571 -6.172 11.056 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -8.701 -8.280 11.904 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.371 -8.468 11.406 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.702 -10.781 8.765 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.882 -9.675 9.475 1.00 0.00 H new ATOM 1377 N ARG A 92 -6.988 -6.221 10.673 1.00 0.00 N ATOM 1378 CA ARG A 92 -5.626 -5.917 10.259 1.00 0.00 C ATOM 1379 C ARG A 92 -4.791 -7.193 10.151 1.00 0.00 C ATOM 1380 O ARG A 92 -3.745 -7.207 9.508 1.00 0.00 O ATOM 1381 CB ARG A 92 -5.027 -4.916 11.248 1.00 0.00 C ATOM 1382 CG ARG A 92 -3.771 -4.310 10.627 1.00 0.00 C ATOM 1383 CD ARG A 92 -3.030 -3.425 11.626 1.00 0.00 C ATOM 1384 NE ARG A 92 -3.853 -2.321 12.121 1.00 0.00 N ATOM 1385 CZ ARG A 92 -3.391 -1.385 12.954 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -2.123 -1.408 13.358 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -4.194 -0.419 13.385 1.00 0.00 N ATOM 0 H ARG A 92 -7.170 -6.079 11.667 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.629 -5.468 9.266 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.750 -4.134 11.479 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.783 -5.412 12.187 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.111 -5.107 10.285 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.043 -3.723 9.750 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.700 -4.033 12.468 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.134 -3.022 11.153 1.00 0.00 H new ATOM 0 HE ARG A 92 -4.825 -2.264 11.816 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.497 -2.144 13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.777 -0.690 13.994 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.167 -0.390 13.080 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.838 0.294 14.021 1.00 0.00 H new ATOM 1401 N GLY A 93 -5.254 -8.272 10.784 1.00 0.00 N ATOM 1402 CA GLY A 93 -4.639 -9.586 10.684 1.00 0.00 C ATOM 1403 C GLY A 93 -3.470 -9.766 11.643 1.00 0.00 C ATOM 1404 O GLY A 93 -3.493 -10.665 12.480 1.00 0.00 O ATOM 0 H GLY A 93 -6.077 -8.252 11.387 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.390 -10.350 10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.292 -9.743 9.663 1.00 0.00 H new ATOM 1408 N LYS A 94 -2.453 -8.905 11.517 1.00 0.00 N ATOM 1409 CA LYS A 94 -1.229 -8.922 12.315 1.00 0.00 C ATOM 1410 C LYS A 94 -0.443 -10.233 12.277 1.00 0.00 C ATOM 1411 O LYS A 94 0.616 -10.320 12.895 1.00 0.00 O ATOM 1412 CB LYS A 94 -1.539 -8.524 13.754 1.00 0.00 C ATOM 1413 CG LYS A 94 -2.167 -7.132 13.776 1.00 0.00 C ATOM 1414 CD LYS A 94 -2.233 -6.592 15.205 1.00 0.00 C ATOM 1415 CE LYS A 94 -3.106 -7.477 16.095 1.00 0.00 C ATOM 1416 NZ LYS A 94 -3.189 -6.938 17.466 1.00 0.00 N ATOM 0 H LYS A 94 -2.464 -8.151 10.830 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.570 -8.190 11.849 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.219 -9.248 14.204 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.626 -8.532 14.349 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.584 -6.454 13.152 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.170 -7.173 13.351 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.227 -6.535 15.621 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.632 -5.578 15.194 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.107 -7.551 15.669 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.696 -8.487 16.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.788 -7.559 18.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.236 -6.891 17.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.602 -5.984 17.440 1.00 0.00 H new ATOM 1430 N ALA A 95 -0.933 -11.251 11.571 1.00 0.00 N ATOM 1431 CA ALA A 95 -0.273 -12.541 11.498 1.00 0.00 C ATOM 1432 C ALA A 95 -0.591 -13.221 10.169 1.00 0.00 C ATOM 1433 O ALA A 95 -1.676 -13.037 9.623 1.00 0.00 O ATOM 1434 CB ALA A 95 -0.741 -13.390 12.678 1.00 0.00 C ATOM 0 H ALA A 95 -1.800 -11.198 11.035 1.00 0.00 H new ATOM 0 HA ALA A 95 0.808 -12.416 11.551 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.255 -14.365 12.640 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.481 -12.891 13.611 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.822 -13.521 12.626 1.00 0.00 H new ATOM 1440 N GLY A 96 0.359 -14.006 9.652 1.00 0.00 N ATOM 1441 CA GLY A 96 0.199 -14.697 8.380 1.00 0.00 C ATOM 1442 C GLY A 96 -0.623 -15.977 8.517 1.00 0.00 C ATOM 1443 O GLY A 96 -0.992 -16.582 7.512 1.00 0.00 O ATOM 0 H GLY A 96 1.256 -14.177 10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.285 -14.031 7.665 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.181 -14.940 7.975 1.00 0.00 H new ATOM 1447 N VAL A 97 -0.914 -16.391 9.753 1.00 0.00 N ATOM 1448 CA VAL A 97 -1.725 -17.569 10.019 1.00 0.00 C ATOM 1449 C VAL A 97 -3.131 -17.133 10.415 1.00 0.00 C ATOM 1450 O VAL A 97 -3.299 -16.176 11.171 1.00 0.00 O ATOM 1451 CB VAL A 97 -1.042 -18.459 11.066 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -0.914 -17.758 12.418 1.00 0.00 C ATOM 1453 CG2 VAL A 97 -1.825 -19.755 11.253 1.00 0.00 C ATOM 0 H VAL A 97 -0.591 -15.914 10.595 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.820 -18.179 9.121 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.041 -18.676 10.694 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.425 -18.424 13.129 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.320 -16.851 12.303 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.906 -17.498 12.788 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.328 -20.376 11.999 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.836 -19.524 11.588 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.871 -20.292 10.306 1.00 0.00 H new ATOM 1463 N LYS A 98 -4.143 -17.842 9.903 1.00 0.00 N ATOM 1464 CA LYS A 98 -5.547 -17.493 10.110 1.00 0.00 C ATOM 1465 C LYS A 98 -6.300 -18.587 10.868 1.00 0.00 C ATOM 1466 O LYS A 98 -7.530 -18.592 10.899 1.00 0.00 O ATOM 1467 CB LYS A 98 -6.209 -17.192 8.758 1.00 0.00 C ATOM 1468 CG LYS A 98 -5.410 -16.207 7.893 1.00 0.00 C ATOM 1469 CD LYS A 98 -5.239 -14.847 8.571 1.00 0.00 C ATOM 1470 CE LYS A 98 -4.385 -13.945 7.680 1.00 0.00 C ATOM 1471 NZ LYS A 98 -4.166 -12.631 8.311 1.00 0.00 N ATOM 0 H LYS A 98 -4.008 -18.676 9.332 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.591 -16.599 10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.337 -18.125 8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.205 -16.785 8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.428 -16.629 7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.916 -16.073 6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.213 -14.389 8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.765 -14.970 9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.425 -14.424 7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.875 -13.812 6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.860 -11.946 7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.052 -12.303 8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.431 -12.715 9.042 1.00 0.00 H new ATOM 1485 N ARG A 99 -5.555 -19.516 11.477 1.00 0.00 N ATOM 1486 CA ARG A 99 -6.101 -20.648 12.211 1.00 0.00 C ATOM 1487 C ARG A 99 -5.404 -20.816 13.555 1.00 0.00 C ATOM 1488 O ARG A 99 -4.443 -20.115 13.864 1.00 0.00 O ATOM 1489 CB ARG A 99 -5.967 -21.910 11.367 1.00 0.00 C ATOM 1490 CG ARG A 99 -7.131 -21.925 10.384 1.00 0.00 C ATOM 1491 CD ARG A 99 -7.052 -23.177 9.523 1.00 0.00 C ATOM 1492 NE ARG A 99 -8.020 -23.126 8.419 1.00 0.00 N ATOM 1493 CZ ARG A 99 -9.282 -23.567 8.477 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -9.775 -24.131 9.577 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -10.068 -23.448 7.414 1.00 0.00 N ATOM 0 H ARG A 99 -4.535 -19.496 11.469 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.156 -20.464 12.412 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.015 -21.917 10.835 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.986 -22.798 11.999 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -8.077 -21.901 10.924 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.101 -21.036 9.755 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.044 -23.282 9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.244 -24.057 10.138 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.705 -22.722 7.537 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.187 -24.236 10.404 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.741 -24.458 9.593 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.709 -23.022 6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.031 -23.782 7.452 1.00 0.00 H new ATOM 1509 N SER A 100 -5.904 -21.759 14.351 1.00 0.00 N ATOM 1510 CA SER A 100 -5.386 -22.052 15.676 1.00 0.00 C ATOM 1511 C SER A 100 -3.996 -22.683 15.633 1.00 0.00 C ATOM 1512 O SER A 100 -3.351 -22.805 16.674 1.00 0.00 O ATOM 1513 CB SER A 100 -6.365 -22.998 16.364 1.00 0.00 C ATOM 1514 OG SER A 100 -7.533 -22.302 16.745 1.00 0.00 O ATOM 0 H SER A 100 -6.693 -22.348 14.085 1.00 0.00 H new ATOM 0 HA SER A 100 -5.287 -21.116 16.226 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.624 -23.816 15.692 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.896 -23.443 17.242 1.00 0.00 H new ATOM 0 HG SER A 100 -8.154 -22.920 17.184 1.00 0.00 H new ATOM 1520 N ALA A 101 -3.535 -23.088 14.441 1.00 0.00 N ATOM 1521 CA ALA A 101 -2.266 -23.775 14.244 1.00 0.00 C ATOM 1522 C ALA A 101 -2.127 -25.035 15.108 1.00 0.00 C ATOM 1523 O ALA A 101 -1.039 -25.603 15.209 1.00 0.00 O ATOM 1524 CB ALA A 101 -1.104 -22.793 14.429 1.00 0.00 C ATOM 0 H ALA A 101 -4.050 -22.940 13.573 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.238 -24.140 13.217 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.159 -23.315 14.280 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.191 -21.985 13.702 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.135 -22.379 15.437 1.00 0.00 H new ATOM 1530 N ALA A 102 -3.224 -25.477 15.731 1.00 0.00 N ATOM 1531 CA ALA A 102 -3.250 -26.664 16.570 1.00 0.00 C ATOM 1532 C ALA A 102 -4.594 -27.389 16.465 1.00 0.00 C ATOM 1533 O ALA A 102 -4.835 -28.353 17.189 1.00 0.00 O ATOM 1534 CB ALA A 102 -2.954 -26.257 18.017 1.00 0.00 C ATOM 0 H ALA A 102 -4.128 -25.009 15.661 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.486 -27.361 16.228 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -2.971 -27.141 18.654 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.970 -25.791 18.070 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.710 -25.549 18.358 1.00 0.00 H new ATOM 1540 N GLU A 103 -5.472 -26.930 15.569 1.00 0.00 N ATOM 1541 CA GLU A 103 -6.809 -27.484 15.400 1.00 0.00 C ATOM 1542 C GLU A 103 -6.804 -28.736 14.521 1.00 0.00 C ATOM 1543 O GLU A 103 -7.850 -29.347 14.312 1.00 0.00 O ATOM 1544 CB GLU A 103 -7.726 -26.406 14.817 1.00 0.00 C ATOM 1545 CG GLU A 103 -7.224 -25.904 13.462 1.00 0.00 C ATOM 1546 CD GLU A 103 -8.094 -24.764 12.942 1.00 0.00 C ATOM 1547 OE1 GLU A 103 -7.953 -23.640 13.472 1.00 0.00 O ATOM 1548 OE2 GLU A 103 -8.893 -25.022 12.016 1.00 0.00 O ATOM 0 H GLU A 103 -5.268 -26.156 14.937 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.183 -27.793 16.376 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.733 -26.807 14.705 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.792 -25.570 15.513 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.192 -25.565 13.556 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.226 -26.724 12.744 1.00 0.00 H new ATOM 1555 N MET A 104 -5.629 -29.113 14.008 1.00 0.00 N ATOM 1556 CA MET A 104 -5.462 -30.266 13.133 1.00 0.00 C ATOM 1557 C MET A 104 -4.693 -31.390 13.822 1.00 0.00 C ATOM 1558 O MET A 104 -4.326 -32.370 13.173 1.00 0.00 O ATOM 1559 CB MET A 104 -4.769 -29.835 11.840 1.00 0.00 C ATOM 1560 CG MET A 104 -5.610 -28.797 11.097 1.00 0.00 C ATOM 1561 SD MET A 104 -4.875 -28.200 9.553 1.00 0.00 S ATOM 1562 CE MET A 104 -3.453 -27.300 10.228 1.00 0.00 C ATOM 0 H MET A 104 -4.758 -28.616 14.194 1.00 0.00 H new ATOM 0 HA MET A 104 -6.449 -30.661 12.891 1.00 0.00 H new ATOM 0 HB2 MET A 104 -3.788 -29.419 12.069 1.00 0.00 H new ATOM 0 HB3 MET A 104 -4.607 -30.703 11.202 1.00 0.00 H new ATOM 0 HG2 MET A 104 -6.586 -29.229 10.877 1.00 0.00 H new ATOM 0 HG3 MET A 104 -5.780 -27.946 11.757 1.00 0.00 H new ATOM 0 HE1 MET A 104 -3.036 -26.649 9.460 1.00 0.00 H new ATOM 0 HE2 MET A 104 -3.774 -26.698 11.079 1.00 0.00 H new ATOM 0 HE3 MET A 104 -2.693 -28.011 10.552 1.00 0.00 H new ATOM 1572 N TYR A 105 -4.442 -31.258 15.131 1.00 0.00 N ATOM 1573 CA TYR A 105 -3.679 -32.240 15.890 1.00 0.00 C ATOM 1574 C TYR A 105 -4.367 -32.596 17.209 1.00 0.00 C ATOM 1575 O TYR A 105 -3.804 -33.334 18.019 1.00 0.00 O ATOM 1576 CB TYR A 105 -2.268 -31.706 16.140 1.00 0.00 C ATOM 1577 CG TYR A 105 -1.584 -31.175 14.901 1.00 0.00 C ATOM 1578 CD1 TYR A 105 -0.908 -32.048 14.040 1.00 0.00 C ATOM 1579 CD2 TYR A 105 -1.632 -29.801 14.618 1.00 0.00 C ATOM 1580 CE1 TYR A 105 -0.283 -31.551 12.886 1.00 0.00 C ATOM 1581 CE2 TYR A 105 -1.009 -29.294 13.471 1.00 0.00 C ATOM 1582 CZ TYR A 105 -0.331 -30.170 12.596 1.00 0.00 C ATOM 1583 OH TYR A 105 0.276 -29.681 11.479 1.00 0.00 O ATOM 0 H TYR A 105 -4.765 -30.466 15.687 1.00 0.00 H new ATOM 0 HA TYR A 105 -3.620 -33.157 15.304 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -2.318 -30.911 16.884 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -1.659 -32.503 16.566 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -0.868 -33.104 14.264 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.152 -29.132 15.288 1.00 0.00 H new ATOM 0 HE1 TYR A 105 0.235 -32.225 12.220 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -1.047 -28.236 13.256 1.00 0.00 H new ATOM 0 HH TYR A 105 0.144 -28.711 11.433 1.00 0.00 H new ATOM 1593 N GLY A 106 -5.577 -32.075 17.427 1.00 0.00 N ATOM 1594 CA GLY A 106 -6.352 -32.335 18.637 1.00 0.00 C ATOM 1595 C GLY A 106 -6.803 -33.786 18.705 1.00 0.00 C ATOM 1596 O GLY A 106 -6.502 -34.569 17.807 1.00 0.00 O ATOM 1597 OXT GLY A 106 -7.464 -34.201 19.641 1.00 0.00 O ATOM 0 H GLY A 106 -6.047 -31.458 16.764 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -5.750 -32.098 19.514 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.223 -31.680 18.661 1.00 0.00 H new TER 1601 GLY A 106 ATOM 1602 O5' U B 1 4.148 -7.460 9.576 1.00 0.00 O ATOM 1603 C5' U B 1 3.241 -6.842 10.461 1.00 0.00 C ATOM 1604 C4' U B 1 2.595 -5.622 9.801 1.00 0.00 C ATOM 1605 O4' U B 1 1.799 -6.025 8.691 1.00 0.00 O ATOM 1606 C3' U B 1 1.654 -4.978 10.820 1.00 0.00 C ATOM 1607 O3' U B 1 1.445 -3.610 10.529 1.00 0.00 O ATOM 1608 C2' U B 1 0.409 -5.821 10.580 1.00 0.00 C ATOM 1609 O2' U B 1 -0.776 -5.206 11.020 1.00 0.00 O ATOM 1610 C1' U B 1 0.430 -5.992 9.068 1.00 0.00 C ATOM 1611 N1 U B 1 -0.288 -7.219 8.655 1.00 0.00 N ATOM 1612 C2 U B 1 -1.367 -7.091 7.793 1.00 0.00 C ATOM 1613 O2 U B 1 -1.732 -6.007 7.344 1.00 0.00 O ATOM 1614 N3 U B 1 -2.027 -8.259 7.452 1.00 0.00 N ATOM 1615 C4 U B 1 -1.725 -9.525 7.913 1.00 0.00 C ATOM 1616 O4 U B 1 -2.398 -10.498 7.571 1.00 0.00 O ATOM 1617 C5 U B 1 -0.582 -9.569 8.796 1.00 0.00 C ATOM 1618 C6 U B 1 0.091 -8.445 9.127 1.00 0.00 C ATOM 0 H5' U B 1 3.760 -6.539 11.370 1.00 0.00 H new ATOM 0 H5'' U B 1 2.470 -7.554 10.757 1.00 0.00 H new ATOM 0 H4' U B 1 3.376 -4.937 9.470 1.00 0.00 H new ATOM 0 H3' U B 1 2.005 -4.971 11.852 1.00 0.00 H new ATOM 0 H2' U B 1 0.421 -6.758 11.137 1.00 0.00 H new ATOM 0 HO2' U B 1 -0.597 -4.701 11.841 1.00 0.00 H new ATOM 0 HO5' U B 1 3.943 -7.190 8.656 1.00 0.00 H new ATOM 0 H1' U B 1 -0.086 -5.171 8.570 1.00 0.00 H new ATOM 0 H3 U B 1 -2.808 -8.177 6.801 1.00 0.00 H new ATOM 0 H5 U B 1 -0.260 -10.518 9.199 1.00 0.00 H new ATOM 0 H6 U B 1 0.948 -8.517 9.780 1.00 0.00 H new ATOM 1629 P U B 2 1.006 -2.592 11.701 1.00 0.00 P ATOM 1630 OP1 U B 2 2.235 -2.100 12.362 1.00 0.00 O ATOM 1631 OP2 U B 2 -0.041 -3.246 12.518 1.00 0.00 O ATOM 1632 O5' U B 2 0.307 -1.360 10.933 1.00 0.00 O ATOM 1633 C5' U B 2 1.084 -0.405 10.240 1.00 0.00 C ATOM 1634 C4' U B 2 0.267 0.851 9.933 1.00 0.00 C ATOM 1635 O4' U B 2 -0.637 0.644 8.856 1.00 0.00 O ATOM 1636 C3' U B 2 -0.560 1.309 11.146 1.00 0.00 C ATOM 1637 O3' U B 2 -0.342 2.683 11.424 1.00 0.00 O ATOM 1638 C2' U B 2 -1.993 1.117 10.653 1.00 0.00 C ATOM 1639 O2' U B 2 -2.909 2.012 11.254 1.00 0.00 O ATOM 1640 C1' U B 2 -1.817 1.363 9.166 1.00 0.00 C ATOM 1641 N1 U B 2 -2.982 0.932 8.359 1.00 0.00 N ATOM 1642 C2 U B 2 -3.520 1.862 7.480 1.00 0.00 C ATOM 1643 O2 U B 2 -3.060 2.994 7.349 1.00 0.00 O ATOM 1644 N3 U B 2 -4.617 1.456 6.742 1.00 0.00 N ATOM 1645 C4 U B 2 -5.201 0.202 6.780 1.00 0.00 C ATOM 1646 O4 U B 2 -6.151 -0.065 6.050 1.00 0.00 O ATOM 1647 C5 U B 2 -4.590 -0.700 7.730 1.00 0.00 C ATOM 1648 C6 U B 2 -3.526 -0.323 8.477 1.00 0.00 C ATOM 0 H5' U B 2 1.454 -0.838 9.311 1.00 0.00 H new ATOM 0 H5'' U B 2 1.956 -0.138 10.837 1.00 0.00 H new ATOM 0 H4' U B 2 0.998 1.615 9.668 1.00 0.00 H new ATOM 0 H3' U B 2 -0.314 0.766 12.058 1.00 0.00 H new ATOM 0 H2' U B 2 -2.422 0.146 10.898 1.00 0.00 H new ATOM 0 HO2' U B 2 -2.417 2.720 11.720 1.00 0.00 H new ATOM 0 H1' U B 2 -1.741 2.424 8.927 1.00 0.00 H new ATOM 0 H3 U B 2 -5.033 2.143 6.113 1.00 0.00 H new ATOM 0 H5 U B 2 -4.991 -1.696 7.846 1.00 0.00 H new ATOM 0 H6 U B 2 -3.097 -1.023 9.179 1.00 0.00 H new ATOM 1659 P U B 3 0.866 3.171 12.377 1.00 0.00 P ATOM 1660 OP1 U B 3 1.447 1.987 13.050 1.00 0.00 O ATOM 1661 OP2 U B 3 0.355 4.294 13.196 1.00 0.00 O ATOM 1662 O5' U B 3 1.966 3.771 11.360 1.00 0.00 O ATOM 1663 C5' U B 3 3.086 3.016 10.948 1.00 0.00 C ATOM 1664 C4' U B 3 3.990 3.836 10.021 1.00 0.00 C ATOM 1665 O4' U B 3 3.413 3.941 8.726 1.00 0.00 O ATOM 1666 C3' U B 3 4.213 5.250 10.557 1.00 0.00 C ATOM 1667 O3' U B 3 5.528 5.655 10.236 1.00 0.00 O ATOM 1668 C2' U B 3 3.163 6.047 9.790 1.00 0.00 C ATOM 1669 O2' U B 3 3.550 7.389 9.586 1.00 0.00 O ATOM 1670 C1' U B 3 3.068 5.291 8.468 1.00 0.00 C ATOM 1671 N1 U B 3 1.709 5.379 7.895 1.00 0.00 N ATOM 1672 C2 U B 3 1.560 5.992 6.659 1.00 0.00 C ATOM 1673 O2 U B 3 2.511 6.462 6.032 1.00 0.00 O ATOM 1674 N3 U B 3 0.275 6.049 6.151 1.00 0.00 N ATOM 1675 C4 U B 3 -0.862 5.551 6.769 1.00 0.00 C ATOM 1676 O4 U B 3 -1.958 5.643 6.223 1.00 0.00 O ATOM 1677 C5 U B 3 -0.619 4.947 8.056 1.00 0.00 C ATOM 1678 C6 U B 3 0.630 4.875 8.568 1.00 0.00 C ATOM 0 H5' U B 3 2.752 2.115 10.433 1.00 0.00 H new ATOM 0 H5'' U B 3 3.652 2.693 11.821 1.00 0.00 H new ATOM 0 H4' U B 3 4.946 3.314 9.971 1.00 0.00 H new ATOM 0 H3' U B 3 4.117 5.366 11.637 1.00 0.00 H new ATOM 0 H2' U B 3 2.216 6.118 10.324 1.00 0.00 H new ATOM 0 HO2' U B 3 4.056 7.705 10.363 1.00 0.00 H new ATOM 0 H1' U B 3 3.747 5.731 7.737 1.00 0.00 H new ATOM 0 H3 U B 3 0.153 6.496 5.243 1.00 0.00 H new ATOM 0 H5 U B 3 -1.448 4.546 8.620 1.00 0.00 H new ATOM 0 H6 U B 3 0.779 4.409 9.531 1.00 0.00 H new ATOM 1689 P U B 4 6.335 6.671 11.190 1.00 0.00 P ATOM 1690 OP1 U B 4 6.651 5.975 12.456 1.00 0.00 O ATOM 1691 OP2 U B 4 5.608 7.959 11.221 1.00 0.00 O ATOM 1692 O5' U B 4 7.698 6.878 10.363 1.00 0.00 O ATOM 1693 C5' U B 4 8.605 5.802 10.202 1.00 0.00 C ATOM 1694 C4' U B 4 9.683 6.127 9.167 1.00 0.00 C ATOM 1695 O4' U B 4 9.089 6.480 7.924 1.00 0.00 O ATOM 1696 C3' U B 4 10.563 7.292 9.617 1.00 0.00 C ATOM 1697 O3' U B 4 11.887 7.115 9.151 1.00 0.00 O ATOM 1698 C2' U B 4 9.897 8.473 8.926 1.00 0.00 C ATOM 1699 O2' U B 4 10.812 9.525 8.679 1.00 0.00 O ATOM 1700 C1' U B 4 9.353 7.849 7.646 1.00 0.00 C ATOM 1701 N1 U B 4 8.136 8.576 7.219 1.00 0.00 N ATOM 1702 C2 U B 4 8.312 9.743 6.486 1.00 0.00 C ATOM 1703 O2 U B 4 9.422 10.181 6.183 1.00 0.00 O ATOM 1704 N3 U B 4 7.160 10.409 6.108 1.00 0.00 N ATOM 1705 C4 U B 4 5.863 10.007 6.376 1.00 0.00 C ATOM 1706 O4 U B 4 4.913 10.660 5.956 1.00 0.00 O ATOM 1707 C5 U B 4 5.770 8.796 7.155 1.00 0.00 C ATOM 1708 C6 U B 4 6.881 8.128 7.543 1.00 0.00 C ATOM 0 H5' U B 4 8.061 4.909 9.894 1.00 0.00 H new ATOM 0 H5'' U B 4 9.075 5.575 11.159 1.00 0.00 H new ATOM 0 H4' U B 4 10.296 5.232 9.058 1.00 0.00 H new ATOM 0 H3' U B 4 10.641 7.404 10.698 1.00 0.00 H new ATOM 0 H2' U B 4 9.119 8.946 9.525 1.00 0.00 H new ATOM 0 HO2' U B 4 10.572 9.978 7.844 1.00 0.00 H new ATOM 0 H1' U B 4 10.068 7.918 6.826 1.00 0.00 H new ATOM 0 H3 U B 4 7.277 11.276 5.584 1.00 0.00 H new ATOM 0 H5 U B 4 4.798 8.417 7.433 1.00 0.00 H new ATOM 0 H6 U B 4 6.777 7.222 8.121 1.00 0.00 H new ATOM 1719 P C B 5 12.915 6.148 9.926 1.00 0.00 P ATOM 1720 OP1 C B 5 14.178 6.103 9.152 1.00 0.00 O ATOM 1721 OP2 C B 5 12.217 4.885 10.258 1.00 0.00 O ATOM 1722 O5' C B 5 13.184 6.946 11.298 1.00 0.00 O ATOM 1723 C5' C B 5 13.975 8.116 11.313 1.00 0.00 C ATOM 1724 C4' C B 5 14.016 8.695 12.727 1.00 0.00 C ATOM 1725 O4' C B 5 14.752 7.866 13.607 1.00 0.00 O ATOM 1726 C3' C B 5 14.739 10.033 12.768 1.00 0.00 C ATOM 1727 O3' C B 5 13.944 11.110 12.306 1.00 0.00 O ATOM 1728 C2' C B 5 15.059 10.134 14.257 1.00 0.00 C ATOM 1729 O2' C B 5 13.968 10.691 14.971 1.00 0.00 O ATOM 1730 C1' C B 5 15.217 8.671 14.677 1.00 0.00 C ATOM 1731 N1 C B 5 16.629 8.371 15.029 1.00 0.00 N ATOM 1732 C2 C B 5 17.570 8.173 14.018 1.00 0.00 C ATOM 1733 O2 C B 5 17.267 8.252 12.829 1.00 0.00 O ATOM 1734 N3 C B 5 18.852 7.885 14.368 1.00 0.00 N ATOM 1735 C4 C B 5 19.203 7.808 15.652 1.00 0.00 C ATOM 1736 N4 C B 5 20.468 7.516 15.944 1.00 0.00 N ATOM 1737 C5 C B 5 18.265 8.029 16.704 1.00 0.00 C ATOM 1738 C6 C B 5 16.993 8.310 16.344 1.00 0.00 C ATOM 0 H5' C B 5 13.566 8.852 10.621 1.00 0.00 H new ATOM 0 H5'' C B 5 14.985 7.887 10.974 1.00 0.00 H new ATOM 0 H4' C B 5 12.972 8.787 13.025 1.00 0.00 H new ATOM 0 H3' C B 5 15.609 10.088 12.113 1.00 0.00 H new ATOM 0 H2' C B 5 15.930 10.760 14.453 1.00 0.00 H new ATOM 0 HO2' C B 5 13.476 11.307 14.389 1.00 0.00 H new ATOM 0 HO3' C B 5 14.459 11.942 12.357 1.00 0.00 H new ATOM 0 H1' C B 5 14.631 8.461 15.572 1.00 0.00 H new ATOM 0 H41 C B 5 20.765 7.451 16.918 1.00 0.00 H new ATOM 0 H42 C B 5 21.141 7.358 15.194 1.00 0.00 H new ATOM 0 H5 C B 5 18.558 7.974 17.742 1.00 0.00 H new ATOM 0 H6 C B 5 16.252 8.489 17.109 1.00 0.00 H new TER 1750 C B 5