USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1100 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 116 LYS NZ :NH3+ 176:sc= 0.0586 (180deg=0) USER MOD Set 1.2: A 118 TYR OH : rot 13:sc= -0.291! USER MOD Set 2.1: A 8 GLN : amide:sc= -1.72! C(o=-1.8!,f=-4.4!) USER MOD Set 2.2: A 57 ASN : amide:sc= -0.072 K(o=-1.8,f=-3.2) USER MOD Set 3.1: A 46 THR OG1 : rot 145:sc= 0.639 USER MOD Set 3.2: A 48 ASN : amide:sc= -0.932 K(o=-0.29,f=-0.98) USER MOD Set 4.1: A 40 TYR OH : rot 30:sc= 0.0932 USER MOD Set 4.2: A 110 THR OG1 : rot 66:sc= 0.282 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 1.19 (180deg=1.05) USER MOD Single : A 21 ASN : amide:sc= -1.46! C(o=-1.5!,f=-5.4!) USER MOD Single : A 24 ASN : amide:sc= -0.269 K(o=-0.27,f=-6.3!) USER MOD Single : A 25 TYR OH : rot 70:sc= -0.0425 USER MOD Single : A 26 GLN : amide:sc= 0.504 K(o=0.5,f=-0.011) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -89:sc= 0.551 USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= -0.016 (180deg=-0.132) USER MOD Single : A 35 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0.0052) USER MOD Single : A 36 ASN : amide:sc= 0.214 K(o=0.21,f=-2.8!) USER MOD Single : A 38 SER OG : rot -150:sc= -1.65! USER MOD Single : A 39 HIS : no HD1:sc= -0.0294 X(o=-0.029,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0.691 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.363 X(o=-0.36,f=-0.52) USER MOD Single : A 54 LYS NZ :NH3+ 125:sc= -0.0551 (180deg=-0.427) USER MOD Single : A 55 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.2) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 150:sc= 0.469 (180deg=-2.69!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 69 SER OG : rot -90:sc= -0.0794 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= -0.0564 (180deg=-0.34) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 85:sc= 1.23 USER MOD Single : A 82 THR OG1 : rot 81:sc= 1.35 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -154:sc= -0.202 (180deg=-0.801) USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0546) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 96 TYR OH : rot 30:sc= 0.158 USER MOD Single : A 99 ASN : amide:sc= -0.0221 K(o=-0.022,f=-1.3!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -0.611 K(o=-0.61,f=-8.7!) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 115 GLN :FLIP amide:sc= -0.282 F(o=-2.6!,f=-0.28) USER MOD Single : A 119 TYR OH : rot 23:sc= 0.0131 USER MOD Single : A 120 TYR OH : rot 117:sc= 0.456 USER MOD Single : A 121 THR OG1 : rot 40:sc= 0.512 USER MOD Single : A 124 ASN : amide:sc= 0.724 K(o=0.72,f=-5.3!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 90:sc= -1.69! USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -5.736 15.712 -15.031 1.00 0.00 N ATOM 2 CA ASP A 7 -5.846 14.266 -14.997 1.00 0.00 C ATOM 3 C ASP A 7 -5.732 13.768 -13.570 1.00 0.00 C ATOM 4 O ASP A 7 -4.643 13.725 -12.998 1.00 0.00 O ATOM 5 CB ASP A 7 -4.783 13.606 -15.881 1.00 0.00 C ATOM 6 CG ASP A 7 -4.967 13.927 -17.350 1.00 0.00 C ATOM 7 OD1 ASP A 7 -5.707 13.196 -18.039 1.00 0.00 O ATOM 8 OD2 ASP A 7 -4.372 14.920 -17.825 1.00 0.00 O ATOM 0 HA ASP A 7 -6.824 13.991 -15.392 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.794 13.936 -15.562 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.819 12.526 -15.741 1.00 0.00 H new ATOM 13 N GLN A 8 -6.878 13.403 -13.007 1.00 0.00 N ATOM 14 CA GLN A 8 -6.976 12.935 -11.628 1.00 0.00 C ATOM 15 C GLN A 8 -5.984 11.805 -11.343 1.00 0.00 C ATOM 16 O GLN A 8 -5.452 11.696 -10.238 1.00 0.00 O ATOM 17 CB GLN A 8 -8.411 12.472 -11.360 1.00 0.00 C ATOM 18 CG GLN A 8 -8.655 11.963 -9.951 1.00 0.00 C ATOM 19 CD GLN A 8 -10.109 11.594 -9.717 1.00 0.00 C ATOM 20 OE1 GLN A 8 -10.525 10.465 -9.975 1.00 0.00 O ATOM 21 NE2 GLN A 8 -10.890 12.542 -9.222 1.00 0.00 N ATOM 0 H GLN A 8 -7.772 13.423 -13.497 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.722 13.759 -10.960 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.090 13.302 -11.556 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.662 11.681 -12.067 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.027 11.091 -9.768 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.356 12.727 -9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.507 13.466 -9.022 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.875 12.348 -9.041 1.00 0.00 H new ATOM 30 N VAL A 9 -5.722 10.986 -12.356 1.00 0.00 N ATOM 31 CA VAL A 9 -4.780 9.881 -12.232 1.00 0.00 C ATOM 32 C VAL A 9 -3.379 10.394 -11.890 1.00 0.00 C ATOM 33 O VAL A 9 -2.679 9.807 -11.067 1.00 0.00 O ATOM 34 CB VAL A 9 -4.718 9.051 -13.532 1.00 0.00 C ATOM 35 CG1 VAL A 9 -3.770 7.869 -13.383 1.00 0.00 C ATOM 36 CG2 VAL A 9 -6.106 8.573 -13.930 1.00 0.00 C ATOM 0 H VAL A 9 -6.152 11.068 -13.277 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.135 9.242 -11.423 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.333 9.695 -14.323 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.746 7.302 -14.314 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.768 8.233 -13.154 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.116 7.225 -12.575 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.041 7.990 -14.849 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.519 7.952 -13.135 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.755 9.434 -14.092 1.00 0.00 H new ATOM 46 N VAL A 10 -2.991 11.508 -12.502 1.00 0.00 N ATOM 47 CA VAL A 10 -1.659 12.071 -12.301 1.00 0.00 C ATOM 48 C VAL A 10 -1.473 12.543 -10.865 1.00 0.00 C ATOM 49 O VAL A 10 -0.437 12.289 -10.254 1.00 0.00 O ATOM 50 CB VAL A 10 -1.382 13.246 -13.265 1.00 0.00 C ATOM 51 CG1 VAL A 10 -0.033 13.889 -12.966 1.00 0.00 C ATOM 52 CG2 VAL A 10 -1.437 12.776 -14.709 1.00 0.00 C ATOM 0 H VAL A 10 -3.580 12.040 -13.142 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.947 11.273 -12.512 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.158 13.997 -13.114 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.139 14.713 -13.658 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.029 14.267 -11.944 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.757 13.147 -13.082 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.239 13.617 -15.373 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.685 12.003 -14.869 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.426 12.370 -14.922 1.00 0.00 H new ATOM 62 N ILE A 11 -2.488 13.211 -10.328 1.00 0.00 N ATOM 63 CA ILE A 11 -2.426 13.731 -8.965 1.00 0.00 C ATOM 64 C ILE A 11 -2.164 12.597 -7.977 1.00 0.00 C ATOM 65 O ILE A 11 -1.222 12.657 -7.189 1.00 0.00 O ATOM 66 CB ILE A 11 -3.723 14.491 -8.562 1.00 0.00 C ATOM 67 CG1 ILE A 11 -3.796 15.868 -9.241 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.806 14.655 -7.049 1.00 0.00 C ATOM 69 CD1 ILE A 11 -4.020 15.823 -10.737 1.00 0.00 C ATOM 0 H ILE A 11 -3.363 13.406 -10.814 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.603 14.445 -8.933 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.570 13.894 -8.900 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.602 16.442 -8.783 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.869 16.406 -9.042 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.720 15.189 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.813 13.673 -6.576 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.944 15.221 -6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.058 16.839 -11.130 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.202 15.281 -11.211 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.962 15.317 -10.949 1.00 0.00 H new ATOM 81 N PHE A 12 -2.973 11.548 -8.058 1.00 0.00 N ATOM 82 CA PHE A 12 -2.874 10.439 -7.123 1.00 0.00 C ATOM 83 C PHE A 12 -1.590 9.638 -7.319 1.00 0.00 C ATOM 84 O PHE A 12 -0.917 9.302 -6.343 1.00 0.00 O ATOM 85 CB PHE A 12 -4.097 9.529 -7.241 1.00 0.00 C ATOM 86 CG PHE A 12 -5.323 10.090 -6.577 1.00 0.00 C ATOM 87 CD1 PHE A 12 -6.144 10.987 -7.241 1.00 0.00 C ATOM 88 CD2 PHE A 12 -5.650 9.721 -5.281 1.00 0.00 C ATOM 89 CE1 PHE A 12 -7.267 11.506 -6.625 1.00 0.00 C ATOM 90 CE2 PHE A 12 -6.773 10.238 -4.662 1.00 0.00 C ATOM 91 CZ PHE A 12 -7.582 11.131 -5.335 1.00 0.00 C ATOM 0 H PHE A 12 -3.704 11.444 -8.762 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.843 10.862 -6.119 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.311 9.355 -8.296 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.864 8.560 -6.799 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.904 11.284 -8.251 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.021 9.022 -4.749 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.898 12.205 -7.153 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.017 9.943 -3.652 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.460 11.535 -4.853 1.00 0.00 H new ATOM 101 N LYS A 13 -1.230 9.344 -8.569 1.00 0.00 N ATOM 102 CA LYS A 13 -0.042 8.532 -8.828 1.00 0.00 C ATOM 103 C LYS A 13 1.218 9.269 -8.387 1.00 0.00 C ATOM 104 O LYS A 13 2.190 8.650 -7.968 1.00 0.00 O ATOM 105 CB LYS A 13 0.077 8.139 -10.310 1.00 0.00 C ATOM 106 CG LYS A 13 0.476 9.283 -11.233 1.00 0.00 C ATOM 107 CD LYS A 13 0.898 8.779 -12.604 1.00 0.00 C ATOM 108 CE LYS A 13 1.380 9.918 -13.486 1.00 0.00 C ATOM 109 NZ LYS A 13 1.949 9.427 -14.768 1.00 0.00 N ATOM 0 H LYS A 13 -1.733 9.649 -9.402 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.149 7.616 -8.246 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.812 7.339 -10.404 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.878 7.735 -10.644 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.361 9.972 -11.341 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.295 9.844 -10.784 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.692 8.040 -12.494 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.058 8.275 -13.083 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.549 10.593 -13.693 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.135 10.496 -12.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.266 10.236 -15.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.758 8.803 -14.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.222 8.898 -15.290 1.00 0.00 H new ATOM 123 N GLN A 14 1.176 10.591 -8.468 1.00 0.00 N ATOM 124 CA GLN A 14 2.309 11.424 -8.094 1.00 0.00 C ATOM 125 C GLN A 14 2.502 11.419 -6.580 1.00 0.00 C ATOM 126 O GLN A 14 3.626 11.496 -6.093 1.00 0.00 O ATOM 127 CB GLN A 14 2.099 12.843 -8.624 1.00 0.00 C ATOM 128 CG GLN A 14 3.193 13.826 -8.243 1.00 0.00 C ATOM 129 CD GLN A 14 3.094 15.125 -9.019 1.00 0.00 C ATOM 130 OE1 GLN A 14 1.891 15.464 -9.463 1.00 0.00 O flip ATOM 131 NE2 GLN A 14 4.093 15.810 -9.234 1.00 0.00 N flip ATOM 0 H GLN A 14 0.362 11.113 -8.792 1.00 0.00 H new ATOM 0 HA GLN A 14 3.217 11.019 -8.541 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.025 12.804 -9.711 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.145 13.218 -8.253 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.133 14.037 -7.175 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.167 13.371 -8.423 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.001 15.515 -8.875 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.013 16.673 -9.771 1.00 0.00 H new ATOM 140 N ILE A 15 1.403 11.304 -5.842 1.00 0.00 N ATOM 141 CA ILE A 15 1.471 11.201 -4.388 1.00 0.00 C ATOM 142 C ILE A 15 2.227 9.936 -3.984 1.00 0.00 C ATOM 143 O ILE A 15 3.144 9.979 -3.161 1.00 0.00 O ATOM 144 CB ILE A 15 0.061 11.188 -3.755 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.705 12.457 -4.134 1.00 0.00 C ATOM 146 CG2 ILE A 15 0.152 11.054 -2.241 1.00 0.00 C ATOM 147 CD1 ILE A 15 -2.133 12.480 -3.632 1.00 0.00 C ATOM 0 H ILE A 15 0.458 11.280 -6.224 1.00 0.00 H new ATOM 0 HA ILE A 15 2.003 12.078 -4.019 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.481 10.326 -4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.176 13.323 -3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.709 12.557 -5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.851 11.047 -1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.660 10.123 -1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.713 11.896 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.612 13.410 -3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.679 11.635 -4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.137 12.412 -2.544 1.00 0.00 H new ATOM 159 N PHE A 16 1.853 8.817 -4.593 1.00 0.00 N ATOM 160 CA PHE A 16 2.514 7.544 -4.326 1.00 0.00 C ATOM 161 C PHE A 16 3.927 7.532 -4.910 1.00 0.00 C ATOM 162 O PHE A 16 4.823 6.875 -4.379 1.00 0.00 O ATOM 163 CB PHE A 16 1.697 6.382 -4.897 1.00 0.00 C ATOM 164 CG PHE A 16 0.418 6.114 -4.152 1.00 0.00 C ATOM 165 CD1 PHE A 16 -0.720 6.863 -4.400 1.00 0.00 C ATOM 166 CD2 PHE A 16 0.356 5.105 -3.202 1.00 0.00 C ATOM 167 CE1 PHE A 16 -1.895 6.616 -3.715 1.00 0.00 C ATOM 168 CE2 PHE A 16 -0.816 4.852 -2.515 1.00 0.00 C ATOM 169 CZ PHE A 16 -1.942 5.608 -2.771 1.00 0.00 C ATOM 0 H PHE A 16 1.096 8.765 -5.275 1.00 0.00 H new ATOM 0 HA PHE A 16 2.586 7.422 -3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.461 6.594 -5.940 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.309 5.480 -4.886 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.689 7.651 -5.138 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.234 4.510 -2.997 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.774 7.210 -3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.851 4.063 -1.778 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.858 5.412 -2.234 1.00 0.00 H new ATOM 179 N ASP A 17 4.117 8.266 -6.000 1.00 0.00 N ATOM 180 CA ASP A 17 5.424 8.369 -6.644 1.00 0.00 C ATOM 181 C ASP A 17 6.407 9.120 -5.756 1.00 0.00 C ATOM 182 O ASP A 17 7.578 8.757 -5.655 1.00 0.00 O ATOM 183 CB ASP A 17 5.299 9.073 -7.997 1.00 0.00 C ATOM 184 CG ASP A 17 6.634 9.262 -8.690 1.00 0.00 C ATOM 185 OD1 ASP A 17 7.173 8.271 -9.237 1.00 0.00 O ATOM 186 OD2 ASP A 17 7.132 10.404 -8.718 1.00 0.00 O ATOM 0 H ASP A 17 3.380 8.801 -6.459 1.00 0.00 H new ATOM 0 HA ASP A 17 5.803 7.359 -6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.639 8.493 -8.643 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.830 10.046 -7.852 1.00 0.00 H new ATOM 191 N LYS A 18 5.920 10.161 -5.097 1.00 0.00 N ATOM 192 CA LYS A 18 6.755 10.951 -4.207 1.00 0.00 C ATOM 193 C LYS A 18 7.172 10.148 -2.981 1.00 0.00 C ATOM 194 O LYS A 18 8.337 10.160 -2.598 1.00 0.00 O ATOM 195 CB LYS A 18 6.038 12.236 -3.779 1.00 0.00 C ATOM 196 CG LYS A 18 5.885 13.248 -4.906 1.00 0.00 C ATOM 197 CD LYS A 18 7.238 13.688 -5.445 1.00 0.00 C ATOM 198 CE LYS A 18 8.007 14.511 -4.424 1.00 0.00 C ATOM 199 NZ LYS A 18 9.426 14.709 -4.820 1.00 0.00 N ATOM 0 H LYS A 18 4.952 10.477 -5.162 1.00 0.00 H new ATOM 0 HA LYS A 18 7.655 11.222 -4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.051 11.981 -3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.591 12.696 -2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.295 12.811 -5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.336 14.117 -4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.823 12.811 -5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.095 14.274 -6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.526 15.482 -4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.968 14.014 -3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.877 15.384 -4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.928 13.799 -4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.467 15.082 -5.790 1.00 0.00 H new ATOM 213 N VAL A 19 6.235 9.428 -2.384 1.00 0.00 N ATOM 214 CA VAL A 19 6.523 8.709 -1.147 1.00 0.00 C ATOM 215 C VAL A 19 7.447 7.511 -1.386 1.00 0.00 C ATOM 216 O VAL A 19 8.211 7.127 -0.501 1.00 0.00 O ATOM 217 CB VAL A 19 5.233 8.249 -0.432 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.512 7.166 -1.220 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.549 7.775 0.980 1.00 0.00 C ATOM 0 H VAL A 19 5.280 9.325 -2.728 1.00 0.00 H new ATOM 0 HA VAL A 19 7.039 9.415 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 19 4.562 9.106 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.610 6.867 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.242 7.551 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.167 6.303 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.630 7.454 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.247 6.939 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.996 8.592 1.546 1.00 0.00 H new ATOM 229 N ARG A 20 7.406 6.938 -2.585 1.00 0.00 N ATOM 230 CA ARG A 20 8.236 5.775 -2.887 1.00 0.00 C ATOM 231 C ARG A 20 9.674 6.188 -3.192 1.00 0.00 C ATOM 232 O ARG A 20 10.586 5.364 -3.138 1.00 0.00 O ATOM 233 CB ARG A 20 7.655 4.961 -4.054 1.00 0.00 C ATOM 234 CG ARG A 20 7.603 5.711 -5.375 1.00 0.00 C ATOM 235 CD ARG A 20 6.988 4.865 -6.481 1.00 0.00 C ATOM 236 NE ARG A 20 6.850 5.618 -7.729 1.00 0.00 N ATOM 237 CZ ARG A 20 6.194 5.178 -8.806 1.00 0.00 C ATOM 238 NH1 ARG A 20 5.661 3.963 -8.830 1.00 0.00 N ATOM 239 NH2 ARG A 20 6.087 5.959 -9.869 1.00 0.00 N ATOM 0 H ARG A 20 6.816 7.254 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 20 8.241 5.142 -2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.252 4.059 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.647 4.640 -3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.023 6.625 -5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.611 6.010 -5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.609 3.986 -6.654 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.009 4.507 -6.163 1.00 0.00 H new ATOM 0 HE ARG A 20 7.284 6.540 -7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.749 3.351 -8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.163 3.641 -9.660 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.504 6.890 -9.862 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.588 5.630 -10.695 1.00 0.00 H new ATOM 253 N ASN A 21 9.873 7.464 -3.500 1.00 0.00 N ATOM 254 CA ASN A 21 11.200 7.970 -3.847 1.00 0.00 C ATOM 255 C ASN A 21 11.761 8.868 -2.748 1.00 0.00 C ATOM 256 O ASN A 21 12.928 8.749 -2.369 1.00 0.00 O ATOM 257 CB ASN A 21 11.153 8.746 -5.168 1.00 0.00 C ATOM 258 CG ASN A 21 11.048 7.850 -6.391 1.00 0.00 C ATOM 259 OD1 ASN A 21 10.531 6.733 -6.330 1.00 0.00 O ATOM 260 ND2 ASN A 21 11.541 8.336 -7.517 1.00 0.00 N ATOM 0 H ASN A 21 9.135 8.168 -3.517 1.00 0.00 H new ATOM 0 HA ASN A 21 11.857 7.108 -3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.302 9.426 -5.151 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.050 9.360 -5.252 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.501 7.782 -8.372 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.962 9.265 -7.530 1.00 0.00 H new ATOM 267 N ASP A 22 10.928 9.760 -2.236 1.00 0.00 N ATOM 268 CA ASP A 22 11.366 10.761 -1.269 1.00 0.00 C ATOM 269 C ASP A 22 11.108 10.301 0.158 1.00 0.00 C ATOM 270 O ASP A 22 11.712 10.821 1.098 1.00 0.00 O ATOM 271 CB ASP A 22 10.653 12.091 -1.517 1.00 0.00 C ATOM 272 CG ASP A 22 11.017 12.718 -2.848 1.00 0.00 C ATOM 273 OD1 ASP A 22 10.393 12.372 -3.873 1.00 0.00 O ATOM 274 OD2 ASP A 22 11.921 13.580 -2.876 1.00 0.00 O ATOM 0 H ASP A 22 9.938 9.813 -2.474 1.00 0.00 H new ATOM 0 HA ASP A 22 12.440 10.897 -1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.575 11.932 -1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.901 12.785 -0.714 1.00 0.00 H new ATOM 279 N LEU A 23 10.196 9.339 0.311 1.00 0.00 N ATOM 280 CA LEU A 23 9.840 8.791 1.621 1.00 0.00 C ATOM 281 C LEU A 23 9.237 9.864 2.524 1.00 0.00 C ATOM 282 O LEU A 23 9.393 9.829 3.745 1.00 0.00 O ATOM 283 CB LEU A 23 11.061 8.147 2.291 1.00 0.00 C ATOM 284 CG LEU A 23 11.589 6.884 1.603 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.822 6.353 2.314 1.00 0.00 C ATOM 286 CD2 LEU A 23 10.511 5.813 1.557 1.00 0.00 C ATOM 0 H LEU A 23 9.685 8.919 -0.466 1.00 0.00 H new ATOM 0 HA LEU A 23 9.085 8.020 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.864 8.883 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.803 7.900 3.321 1.00 0.00 H new ATOM 0 HG LEU A 23 11.867 7.148 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.177 5.456 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.605 7.112 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.570 6.110 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.903 4.923 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.205 5.561 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.651 6.186 1.001 1.00 0.00 H new ATOM 298 N ASN A 24 8.520 10.800 1.919 1.00 0.00 N ATOM 299 CA ASN A 24 7.853 11.855 2.667 1.00 0.00 C ATOM 300 C ASN A 24 6.503 11.362 3.194 1.00 0.00 C ATOM 301 O ASN A 24 5.446 11.660 2.641 1.00 0.00 O ATOM 302 CB ASN A 24 7.678 13.123 1.811 1.00 0.00 C ATOM 303 CG ASN A 24 6.915 12.894 0.512 1.00 0.00 C ATOM 304 OD1 ASN A 24 7.029 11.845 -0.120 1.00 0.00 O ATOM 305 ND2 ASN A 24 6.127 13.880 0.113 1.00 0.00 N ATOM 0 H ASN A 24 8.385 10.850 0.909 1.00 0.00 H new ATOM 0 HA ASN A 24 8.482 12.117 3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.155 13.877 2.399 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.662 13.529 1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.587 13.785 -0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.060 14.735 0.666 1.00 0.00 H new ATOM 312 N TYR A 25 6.556 10.583 4.265 1.00 0.00 N ATOM 313 CA TYR A 25 5.361 9.968 4.828 1.00 0.00 C ATOM 314 C TYR A 25 4.407 11.004 5.419 1.00 0.00 C ATOM 315 O TYR A 25 3.194 10.812 5.393 1.00 0.00 O ATOM 316 CB TYR A 25 5.743 8.936 5.894 1.00 0.00 C ATOM 317 CG TYR A 25 6.444 7.717 5.333 1.00 0.00 C ATOM 318 CD1 TYR A 25 5.722 6.681 4.758 1.00 0.00 C ATOM 319 CD2 TYR A 25 7.828 7.603 5.380 1.00 0.00 C ATOM 320 CE1 TYR A 25 6.358 5.564 4.246 1.00 0.00 C ATOM 321 CE2 TYR A 25 8.471 6.493 4.869 1.00 0.00 C ATOM 322 CZ TYR A 25 7.733 5.476 4.304 1.00 0.00 C ATOM 323 OH TYR A 25 8.370 4.367 3.793 1.00 0.00 O ATOM 0 H TYR A 25 7.418 10.361 4.764 1.00 0.00 H new ATOM 0 HA TYR A 25 4.840 9.468 4.012 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.391 9.410 6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.842 8.618 6.419 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.645 6.748 4.709 1.00 0.00 H new ATOM 0 HD2 TYR A 25 8.411 8.396 5.824 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.781 4.766 3.803 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.548 6.422 4.912 1.00 0.00 H new ATOM 0 HH TYR A 25 8.299 4.370 2.816 1.00 0.00 H new ATOM 333 N GLN A 26 4.952 12.102 5.928 1.00 0.00 N ATOM 334 CA GLN A 26 4.138 13.138 6.556 1.00 0.00 C ATOM 335 C GLN A 26 3.147 13.736 5.556 1.00 0.00 C ATOM 336 O GLN A 26 1.955 13.837 5.842 1.00 0.00 O ATOM 337 CB GLN A 26 5.027 14.239 7.148 1.00 0.00 C ATOM 338 CG GLN A 26 4.257 15.390 7.785 1.00 0.00 C ATOM 339 CD GLN A 26 3.363 14.947 8.930 1.00 0.00 C ATOM 340 OE1 GLN A 26 3.790 14.898 10.083 1.00 0.00 O ATOM 341 NE2 GLN A 26 2.114 14.628 8.622 1.00 0.00 N ATOM 0 H GLN A 26 5.953 12.299 5.919 1.00 0.00 H new ATOM 0 HA GLN A 26 3.571 12.676 7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.683 13.797 7.898 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.666 14.637 6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.964 16.134 8.151 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.648 15.877 7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.798 14.682 7.654 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.469 14.329 9.353 1.00 0.00 H new ATOM 350 N TRP A 27 3.649 14.119 4.384 1.00 0.00 N ATOM 351 CA TRP A 27 2.810 14.689 3.334 1.00 0.00 C ATOM 352 C TRP A 27 1.890 13.615 2.752 1.00 0.00 C ATOM 353 O TRP A 27 0.768 13.898 2.322 1.00 0.00 O ATOM 354 CB TRP A 27 3.698 15.287 2.235 1.00 0.00 C ATOM 355 CG TRP A 27 2.950 16.047 1.173 1.00 0.00 C ATOM 356 CD1 TRP A 27 2.555 17.353 1.225 1.00 0.00 C ATOM 357 CD2 TRP A 27 2.529 15.551 -0.103 1.00 0.00 C ATOM 358 NE1 TRP A 27 1.908 17.696 0.062 1.00 0.00 N ATOM 359 CE2 TRP A 27 1.877 16.608 -0.768 1.00 0.00 C ATOM 360 CE3 TRP A 27 2.632 14.314 -0.746 1.00 0.00 C ATOM 361 CZ2 TRP A 27 1.340 16.467 -2.045 1.00 0.00 C ATOM 362 CZ3 TRP A 27 2.098 14.174 -2.011 1.00 0.00 C ATOM 363 CH2 TRP A 27 1.458 15.246 -2.650 1.00 0.00 C ATOM 0 H TRP A 27 4.636 14.044 4.138 1.00 0.00 H new ATOM 0 HA TRP A 27 2.190 15.479 3.758 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.426 15.954 2.697 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.259 14.482 1.761 1.00 0.00 H new ATOM 0 HD1 TRP A 27 2.726 18.019 2.058 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.514 18.613 -0.149 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.121 13.482 -0.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.848 17.292 -2.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.174 13.223 -2.517 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.050 15.104 -3.640 1.00 0.00 H new ATOM 374 N PHE A 28 2.378 12.381 2.758 1.00 0.00 N ATOM 375 CA PHE A 28 1.645 11.250 2.211 1.00 0.00 C ATOM 376 C PHE A 28 0.403 10.934 3.045 1.00 0.00 C ATOM 377 O PHE A 28 -0.702 10.845 2.510 1.00 0.00 O ATOM 378 CB PHE A 28 2.574 10.033 2.136 1.00 0.00 C ATOM 379 CG PHE A 28 1.966 8.815 1.497 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.492 8.857 0.196 1.00 0.00 C ATOM 381 CD2 PHE A 28 1.894 7.621 2.196 1.00 0.00 C ATOM 382 CE1 PHE A 28 0.951 7.731 -0.395 1.00 0.00 C ATOM 383 CE2 PHE A 28 1.352 6.493 1.611 1.00 0.00 C ATOM 384 CZ PHE A 28 0.882 6.547 0.314 1.00 0.00 C ATOM 0 H PHE A 28 3.291 12.138 3.142 1.00 0.00 H new ATOM 0 HA PHE A 28 1.303 11.506 1.208 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.469 10.310 1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.894 9.775 3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.546 9.780 -0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.266 7.572 3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.583 7.776 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.296 5.569 2.168 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.461 5.665 -0.146 1.00 0.00 H new ATOM 394 N TYR A 29 0.584 10.787 4.358 1.00 0.00 N ATOM 395 CA TYR A 29 -0.516 10.422 5.252 1.00 0.00 C ATOM 396 C TYR A 29 -1.638 11.454 5.216 1.00 0.00 C ATOM 397 O TYR A 29 -2.818 11.099 5.169 1.00 0.00 O ATOM 398 CB TYR A 29 -0.026 10.264 6.694 1.00 0.00 C ATOM 399 CG TYR A 29 0.859 9.062 6.926 1.00 0.00 C ATOM 400 CD1 TYR A 29 0.519 7.816 6.416 1.00 0.00 C ATOM 401 CD2 TYR A 29 2.023 9.169 7.676 1.00 0.00 C ATOM 402 CE1 TYR A 29 1.316 6.710 6.646 1.00 0.00 C ATOM 403 CE2 TYR A 29 2.828 8.070 7.905 1.00 0.00 C ATOM 404 CZ TYR A 29 2.473 6.844 7.389 1.00 0.00 C ATOM 405 OH TYR A 29 3.271 5.746 7.619 1.00 0.00 O ATOM 0 H TYR A 29 1.481 10.915 4.826 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.905 9.468 4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.521 11.163 6.979 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.891 10.195 7.353 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.382 7.709 5.830 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.304 10.128 8.087 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.036 5.746 6.247 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.732 8.172 8.487 1.00 0.00 H new ATOM 0 HH TYR A 29 4.046 6.012 8.157 1.00 0.00 H new ATOM 415 N SER A 30 -1.270 12.727 5.229 1.00 0.00 N ATOM 416 CA SER A 30 -2.249 13.799 5.268 1.00 0.00 C ATOM 417 C SER A 30 -3.083 13.834 3.990 1.00 0.00 C ATOM 418 O SER A 30 -4.298 14.039 4.043 1.00 0.00 O ATOM 419 CB SER A 30 -1.545 15.133 5.500 1.00 0.00 C ATOM 420 OG SER A 30 -0.390 15.242 4.689 1.00 0.00 O ATOM 0 H SER A 30 -0.300 13.041 5.213 1.00 0.00 H new ATOM 0 HA SER A 30 -2.934 13.614 6.096 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.228 15.953 5.279 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.267 15.224 6.550 1.00 0.00 H new ATOM 0 HG SER A 30 0.382 14.877 5.169 1.00 0.00 H new ATOM 426 N GLU A 31 -2.440 13.611 2.848 1.00 0.00 N ATOM 427 CA GLU A 31 -3.150 13.599 1.575 1.00 0.00 C ATOM 428 C GLU A 31 -4.036 12.370 1.444 1.00 0.00 C ATOM 429 O GLU A 31 -5.085 12.423 0.791 1.00 0.00 O ATOM 430 CB GLU A 31 -2.178 13.682 0.404 1.00 0.00 C ATOM 431 CG GLU A 31 -1.630 15.079 0.198 1.00 0.00 C ATOM 432 CD GLU A 31 -2.729 16.123 0.198 1.00 0.00 C ATOM 433 OE1 GLU A 31 -3.592 16.085 -0.703 1.00 0.00 O ATOM 434 OE2 GLU A 31 -2.745 16.979 1.108 1.00 0.00 O ATOM 0 H GLU A 31 -1.437 13.438 2.778 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.791 14.480 1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.351 12.993 0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.682 13.356 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.912 15.307 0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.089 15.121 -0.747 1.00 0.00 H new ATOM 441 N LEU A 32 -3.622 11.270 2.064 1.00 0.00 N ATOM 442 CA LEU A 32 -4.438 10.066 2.083 1.00 0.00 C ATOM 443 C LEU A 32 -5.740 10.332 2.820 1.00 0.00 C ATOM 444 O LEU A 32 -6.812 9.981 2.346 1.00 0.00 O ATOM 445 CB LEU A 32 -3.705 8.901 2.753 1.00 0.00 C ATOM 446 CG LEU A 32 -2.434 8.423 2.054 1.00 0.00 C ATOM 447 CD1 LEU A 32 -1.833 7.249 2.807 1.00 0.00 C ATOM 448 CD2 LEU A 32 -2.720 8.038 0.610 1.00 0.00 C ATOM 0 H LEU A 32 -2.732 11.189 2.556 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.646 9.791 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.448 9.196 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.393 8.059 2.829 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.716 9.243 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.927 6.917 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.587 7.556 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.552 6.431 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.799 7.701 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.456 7.234 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.110 8.903 0.073 1.00 0.00 H new ATOM 460 N LYS A 33 -5.634 10.980 3.970 1.00 0.00 N ATOM 461 CA LYS A 33 -6.797 11.266 4.800 1.00 0.00 C ATOM 462 C LYS A 33 -7.750 12.220 4.077 1.00 0.00 C ATOM 463 O LYS A 33 -8.965 12.164 4.263 1.00 0.00 O ATOM 464 CB LYS A 33 -6.338 11.857 6.144 1.00 0.00 C ATOM 465 CG LYS A 33 -7.351 11.712 7.276 1.00 0.00 C ATOM 466 CD LYS A 33 -8.459 12.750 7.202 1.00 0.00 C ATOM 467 CE LYS A 33 -9.531 12.497 8.251 1.00 0.00 C ATOM 468 NZ LYS A 33 -8.973 12.496 9.630 1.00 0.00 N ATOM 0 H LYS A 33 -4.751 11.319 4.352 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.338 10.339 4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.408 11.373 6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.116 12.915 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.789 10.715 7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.837 11.802 8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.037 13.745 7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.909 12.733 6.209 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.303 13.263 8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.012 11.539 8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.751 12.473 10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.371 11.658 9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.406 13.356 9.776 1.00 0.00 H new ATOM 482 N ARG A 34 -7.192 13.080 3.235 1.00 0.00 N ATOM 483 CA ARG A 34 -7.987 14.069 2.520 1.00 0.00 C ATOM 484 C ARG A 34 -8.772 13.446 1.366 1.00 0.00 C ATOM 485 O ARG A 34 -9.865 13.902 1.037 1.00 0.00 O ATOM 486 CB ARG A 34 -7.098 15.192 1.972 1.00 0.00 C ATOM 487 CG ARG A 34 -6.402 16.021 3.040 1.00 0.00 C ATOM 488 CD ARG A 34 -5.624 17.175 2.423 1.00 0.00 C ATOM 489 NE ARG A 34 -6.512 18.148 1.785 1.00 0.00 N ATOM 490 CZ ARG A 34 -6.446 18.501 0.504 1.00 0.00 C ATOM 491 NH1 ARG A 34 -5.492 18.014 -0.280 1.00 0.00 N ATOM 492 NH2 ARG A 34 -7.325 19.364 0.008 1.00 0.00 N ATOM 0 H ARG A 34 -6.193 13.113 3.031 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.696 14.479 3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.342 14.755 1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.707 15.853 1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.141 16.411 3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.724 15.387 3.612 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.036 17.671 3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.921 16.787 1.686 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.231 18.585 2.362 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.803 17.364 0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.448 18.289 -1.261 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.050 19.756 0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.275 19.635 -0.974 1.00 0.00 H new ATOM 506 N HIS A 35 -8.224 12.405 0.751 1.00 0.00 N ATOM 507 CA HIS A 35 -8.798 11.880 -0.485 1.00 0.00 C ATOM 508 C HIS A 35 -9.192 10.412 -0.369 1.00 0.00 C ATOM 509 O HIS A 35 -10.307 10.033 -0.731 1.00 0.00 O ATOM 510 CB HIS A 35 -7.811 12.067 -1.638 1.00 0.00 C ATOM 511 CG HIS A 35 -7.506 13.505 -1.940 1.00 0.00 C ATOM 512 ND1 HIS A 35 -6.285 14.090 -1.677 1.00 0.00 N ATOM 513 CD2 HIS A 35 -8.276 14.480 -2.482 1.00 0.00 C ATOM 514 CE1 HIS A 35 -6.317 15.359 -2.045 1.00 0.00 C ATOM 515 NE2 HIS A 35 -7.514 15.623 -2.538 1.00 0.00 N ATOM 0 H HIS A 35 -7.394 11.912 1.081 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.710 12.443 -0.682 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.882 11.550 -1.398 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.216 11.595 -2.533 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.300 14.378 -2.810 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.502 16.062 -1.957 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.822 16.525 -2.900 1.00 0.00 H new ATOM 524 N ASN A 36 -8.288 9.596 0.149 1.00 0.00 N ATOM 525 CA ASN A 36 -8.489 8.147 0.225 1.00 0.00 C ATOM 526 C ASN A 36 -9.335 7.779 1.435 1.00 0.00 C ATOM 527 O ASN A 36 -9.131 6.728 2.043 1.00 0.00 O ATOM 528 CB ASN A 36 -7.138 7.426 0.333 1.00 0.00 C ATOM 529 CG ASN A 36 -6.222 7.655 -0.852 1.00 0.00 C ATOM 530 OD1 ASN A 36 -6.264 8.696 -1.508 1.00 0.00 O ATOM 531 ND2 ASN A 36 -5.371 6.683 -1.128 1.00 0.00 N ATOM 0 H ASN A 36 -7.396 9.912 0.529 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.004 7.837 -0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.632 7.757 1.240 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.316 6.356 0.440 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.720 6.781 -1.907 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.365 5.834 -0.562 1.00 0.00 H new ATOM 538 N VAL A 37 -10.307 8.630 1.744 1.00 0.00 N ATOM 539 CA VAL A 37 -11.104 8.512 2.963 1.00 0.00 C ATOM 540 C VAL A 37 -11.687 7.108 3.137 1.00 0.00 C ATOM 541 O VAL A 37 -11.755 6.601 4.251 1.00 0.00 O ATOM 542 CB VAL A 37 -12.252 9.543 2.987 1.00 0.00 C ATOM 543 CG1 VAL A 37 -12.926 9.568 4.355 1.00 0.00 C ATOM 544 CG2 VAL A 37 -11.742 10.930 2.614 1.00 0.00 C ATOM 0 H VAL A 37 -10.566 9.423 1.157 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.423 8.710 3.791 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.993 9.242 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.732 10.301 4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.334 8.582 4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.194 9.838 5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.569 11.640 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.977 11.240 3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.315 10.903 1.611 1.00 0.00 H new ATOM 554 N SER A 38 -12.105 6.478 2.046 1.00 0.00 N ATOM 555 CA SER A 38 -12.617 5.120 2.126 1.00 0.00 C ATOM 556 C SER A 38 -11.468 4.120 2.259 1.00 0.00 C ATOM 557 O SER A 38 -11.140 3.683 3.364 1.00 0.00 O ATOM 558 CB SER A 38 -13.475 4.791 0.903 1.00 0.00 C ATOM 559 OG SER A 38 -14.542 5.713 0.761 1.00 0.00 O ATOM 0 H SER A 38 -12.099 6.880 1.109 1.00 0.00 H new ATOM 0 HA SER A 38 -13.245 5.045 3.014 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.856 4.807 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.874 3.781 0.997 1.00 0.00 H new ATOM 0 HG SER A 38 -15.303 5.269 0.333 1.00 0.00 H new ATOM 565 N HIS A 39 -10.842 3.773 1.140 1.00 0.00 N ATOM 566 CA HIS A 39 -9.759 2.796 1.139 1.00 0.00 C ATOM 567 C HIS A 39 -9.110 2.720 -0.232 1.00 0.00 C ATOM 568 O HIS A 39 -9.769 2.944 -1.248 1.00 0.00 O ATOM 569 CB HIS A 39 -10.272 1.400 1.552 1.00 0.00 C ATOM 570 CG HIS A 39 -11.361 0.847 0.673 1.00 0.00 C ATOM 571 ND1 HIS A 39 -12.699 0.911 1.003 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.304 0.221 -0.527 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.415 0.350 0.045 1.00 0.00 C ATOM 574 NE2 HIS A 39 -12.594 -0.076 -0.895 1.00 0.00 N ATOM 0 H HIS A 39 -11.066 4.154 0.221 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.016 3.122 1.867 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.433 0.704 1.550 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.641 1.451 2.576 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.410 -0.003 -1.090 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.491 0.256 0.034 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.871 -0.549 -1.755 1.00 0.00 H new ATOM 583 N TYR A 40 -7.826 2.409 -0.264 1.00 0.00 N ATOM 584 CA TYR A 40 -7.137 2.194 -1.525 1.00 0.00 C ATOM 585 C TYR A 40 -6.613 0.763 -1.594 1.00 0.00 C ATOM 586 O TYR A 40 -6.106 0.232 -0.604 1.00 0.00 O ATOM 587 CB TYR A 40 -5.997 3.209 -1.730 1.00 0.00 C ATOM 588 CG TYR A 40 -4.848 3.093 -0.748 1.00 0.00 C ATOM 589 CD1 TYR A 40 -4.869 3.771 0.464 1.00 0.00 C ATOM 590 CD2 TYR A 40 -3.735 2.312 -1.043 1.00 0.00 C ATOM 591 CE1 TYR A 40 -3.818 3.673 1.355 1.00 0.00 C ATOM 592 CE2 TYR A 40 -2.681 2.208 -0.157 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.727 2.889 1.039 1.00 0.00 C ATOM 594 OH TYR A 40 -1.684 2.781 1.928 1.00 0.00 O ATOM 0 H TYR A 40 -7.241 2.300 0.565 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.852 2.348 -2.334 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.604 3.092 -2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.411 4.215 -1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.721 4.385 0.714 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.695 1.778 -1.981 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.850 4.207 2.293 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.825 1.596 -0.401 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.022 2.880 2.843 1.00 0.00 H new ATOM 604 N ILE A 41 -6.777 0.141 -2.751 1.00 0.00 N ATOM 605 CA ILE A 41 -6.322 -1.225 -2.960 1.00 0.00 C ATOM 606 C ILE A 41 -5.043 -1.235 -3.792 1.00 0.00 C ATOM 607 O ILE A 41 -5.061 -0.923 -4.982 1.00 0.00 O ATOM 608 CB ILE A 41 -7.398 -2.068 -3.671 1.00 0.00 C ATOM 609 CG1 ILE A 41 -8.716 -2.011 -2.893 1.00 0.00 C ATOM 610 CG2 ILE A 41 -6.927 -3.508 -3.809 1.00 0.00 C ATOM 611 CD1 ILE A 41 -9.886 -2.621 -3.631 1.00 0.00 C ATOM 0 H ILE A 41 -7.225 0.563 -3.564 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.126 -1.662 -1.981 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.565 -1.658 -4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.589 -2.528 -1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.946 -0.971 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.695 -4.095 -4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.007 -3.536 -4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.741 -3.926 -2.820 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.784 -2.543 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.041 -2.089 -4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.678 -3.671 -3.839 1.00 0.00 H new ATOM 623 N TYR A 42 -3.942 -1.580 -3.153 1.00 0.00 N ATOM 624 CA TYR A 42 -2.642 -1.594 -3.801 1.00 0.00 C ATOM 625 C TYR A 42 -2.267 -3.023 -4.184 1.00 0.00 C ATOM 626 O TYR A 42 -2.289 -3.926 -3.346 1.00 0.00 O ATOM 627 CB TYR A 42 -1.592 -1.011 -2.845 1.00 0.00 C ATOM 628 CG TYR A 42 -0.330 -0.508 -3.516 1.00 0.00 C ATOM 629 CD1 TYR A 42 0.496 -1.360 -4.237 1.00 0.00 C ATOM 630 CD2 TYR A 42 0.037 0.830 -3.417 1.00 0.00 C ATOM 631 CE1 TYR A 42 1.646 -0.895 -4.843 1.00 0.00 C ATOM 632 CE2 TYR A 42 1.186 1.301 -4.018 1.00 0.00 C ATOM 633 CZ TYR A 42 1.987 0.436 -4.730 1.00 0.00 C ATOM 634 OH TYR A 42 3.131 0.904 -5.334 1.00 0.00 O ATOM 0 H TYR A 42 -3.922 -1.858 -2.172 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.681 -0.989 -4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.044 -0.189 -2.290 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.320 -1.775 -2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.234 -2.404 -4.325 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.588 1.512 -2.860 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.276 -1.571 -5.403 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.456 2.343 -3.931 1.00 0.00 H new ATOM 0 HH TYR A 42 3.225 1.864 -5.158 1.00 0.00 H new ATOM 644 N TYR A 43 -1.946 -3.237 -5.452 1.00 0.00 N ATOM 645 CA TYR A 43 -1.477 -4.538 -5.900 1.00 0.00 C ATOM 646 C TYR A 43 0.042 -4.536 -5.998 1.00 0.00 C ATOM 647 O TYR A 43 0.620 -3.857 -6.847 1.00 0.00 O ATOM 648 CB TYR A 43 -2.099 -4.911 -7.247 1.00 0.00 C ATOM 649 CG TYR A 43 -3.608 -4.947 -7.216 1.00 0.00 C ATOM 650 CD1 TYR A 43 -4.284 -5.616 -6.205 1.00 0.00 C ATOM 651 CD2 TYR A 43 -4.355 -4.315 -8.198 1.00 0.00 C ATOM 652 CE1 TYR A 43 -5.664 -5.649 -6.175 1.00 0.00 C ATOM 653 CE2 TYR A 43 -5.733 -4.344 -8.176 1.00 0.00 C ATOM 654 CZ TYR A 43 -6.384 -5.012 -7.162 1.00 0.00 C ATOM 655 OH TYR A 43 -7.760 -5.038 -7.129 1.00 0.00 O ATOM 0 H TYR A 43 -2.002 -2.530 -6.185 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.785 -5.286 -5.170 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.775 -4.194 -8.001 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.725 -5.888 -7.555 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.723 -6.118 -5.431 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.848 -3.791 -8.995 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.177 -6.172 -5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.299 -3.846 -8.949 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.115 -4.541 -7.896 1.00 0.00 H new ATOM 665 N LEU A 44 0.676 -5.309 -5.126 1.00 0.00 N ATOM 666 CA LEU A 44 2.135 -5.331 -5.006 1.00 0.00 C ATOM 667 C LEU A 44 2.803 -6.004 -6.204 1.00 0.00 C ATOM 668 O LEU A 44 4.029 -6.056 -6.298 1.00 0.00 O ATOM 669 CB LEU A 44 2.533 -6.056 -3.717 1.00 0.00 C ATOM 670 CG LEU A 44 1.987 -5.436 -2.427 1.00 0.00 C ATOM 671 CD1 LEU A 44 2.196 -6.382 -1.260 1.00 0.00 C ATOM 672 CD2 LEU A 44 2.661 -4.103 -2.145 1.00 0.00 C ATOM 0 H LEU A 44 0.198 -5.939 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 44 2.479 -4.297 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.190 -7.089 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.621 -6.085 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 44 0.918 -5.263 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.803 -5.929 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.674 -7.319 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.261 -6.579 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.259 -3.679 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.735 -4.254 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.473 -3.418 -2.972 1.00 0.00 H new ATOM 684 N ALA A 45 1.999 -6.519 -7.120 1.00 0.00 N ATOM 685 CA ALA A 45 2.522 -7.181 -8.304 1.00 0.00 C ATOM 686 C ALA A 45 2.677 -6.204 -9.469 1.00 0.00 C ATOM 687 O ALA A 45 3.785 -5.986 -9.966 1.00 0.00 O ATOM 688 CB ALA A 45 1.622 -8.341 -8.701 1.00 0.00 C ATOM 0 H ALA A 45 0.981 -6.491 -7.066 1.00 0.00 H new ATOM 0 HA ALA A 45 3.512 -7.567 -8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.026 -8.827 -9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.574 -9.060 -7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.621 -7.968 -8.915 1.00 0.00 H new ATOM 694 N THR A 46 1.565 -5.616 -9.893 1.00 0.00 N ATOM 695 CA THR A 46 1.547 -4.750 -11.063 1.00 0.00 C ATOM 696 C THR A 46 1.706 -3.278 -10.698 1.00 0.00 C ATOM 697 O THR A 46 1.821 -2.431 -11.585 1.00 0.00 O ATOM 698 CB THR A 46 0.233 -4.928 -11.845 1.00 0.00 C ATOM 699 OG1 THR A 46 -0.867 -5.036 -10.931 1.00 0.00 O ATOM 700 CG2 THR A 46 0.285 -6.156 -12.736 1.00 0.00 C ATOM 0 H THR A 46 0.658 -5.725 -9.439 1.00 0.00 H new ATOM 0 HA THR A 46 2.396 -5.044 -11.680 1.00 0.00 H new ATOM 0 HB THR A 46 0.095 -4.053 -12.480 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.657 -4.604 -11.318 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.657 -6.255 -13.275 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.102 -6.053 -13.450 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.447 -7.043 -12.124 1.00 0.00 H new ATOM 708 N GLU A 47 1.703 -2.982 -9.398 1.00 0.00 N ATOM 709 CA GLU A 47 1.792 -1.607 -8.913 1.00 0.00 C ATOM 710 C GLU A 47 0.547 -0.830 -9.352 1.00 0.00 C ATOM 711 O GLU A 47 0.592 0.368 -9.634 1.00 0.00 O ATOM 712 CB GLU A 47 3.084 -0.946 -9.423 1.00 0.00 C ATOM 713 CG GLU A 47 3.417 0.384 -8.760 1.00 0.00 C ATOM 714 CD GLU A 47 4.772 0.924 -9.177 1.00 0.00 C ATOM 715 OE1 GLU A 47 4.988 1.145 -10.386 1.00 0.00 O ATOM 716 OE2 GLU A 47 5.625 1.138 -8.289 1.00 0.00 O ATOM 0 H GLU A 47 1.639 -3.682 -8.659 1.00 0.00 H new ATOM 0 HA GLU A 47 1.831 -1.602 -7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.915 -1.634 -9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.997 -0.790 -10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.647 1.113 -9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.397 0.260 -7.677 1.00 0.00 H new ATOM 723 N ASN A 48 -0.576 -1.535 -9.415 1.00 0.00 N ATOM 724 CA ASN A 48 -1.853 -0.909 -9.726 1.00 0.00 C ATOM 725 C ASN A 48 -2.581 -0.600 -8.428 1.00 0.00 C ATOM 726 O ASN A 48 -2.563 -1.412 -7.502 1.00 0.00 O ATOM 727 CB ASN A 48 -2.726 -1.816 -10.601 1.00 0.00 C ATOM 728 CG ASN A 48 -2.080 -2.206 -11.921 1.00 0.00 C ATOM 729 OD1 ASN A 48 -2.378 -3.263 -12.474 1.00 0.00 O ATOM 730 ND2 ASN A 48 -1.184 -1.375 -12.431 1.00 0.00 N ATOM 0 H ASN A 48 -0.627 -2.541 -9.255 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.661 0.008 -10.283 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.965 -2.721 -10.043 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.669 -1.309 -10.805 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.718 -1.604 -13.309 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.960 -0.506 -11.946 1.00 0.00 H new ATOM 737 N VAL A 49 -3.204 0.565 -8.346 1.00 0.00 N ATOM 738 CA VAL A 49 -3.859 0.980 -7.110 1.00 0.00 C ATOM 739 C VAL A 49 -5.288 1.440 -7.378 1.00 0.00 C ATOM 740 O VAL A 49 -5.529 2.266 -8.252 1.00 0.00 O ATOM 741 CB VAL A 49 -3.090 2.126 -6.411 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.591 2.321 -4.990 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.592 1.871 -6.420 1.00 0.00 C ATOM 0 H VAL A 49 -3.271 1.236 -9.111 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.869 0.109 -6.454 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.277 3.042 -6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.037 3.132 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.652 2.570 -5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.444 1.402 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.080 2.694 -5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.378 0.940 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.242 1.796 -7.450 1.00 0.00 H new ATOM 753 N HIS A 50 -6.233 0.891 -6.625 1.00 0.00 N ATOM 754 CA HIS A 50 -7.632 1.299 -6.721 1.00 0.00 C ATOM 755 C HIS A 50 -7.994 2.202 -5.548 1.00 0.00 C ATOM 756 O HIS A 50 -8.245 1.722 -4.445 1.00 0.00 O ATOM 757 CB HIS A 50 -8.568 0.085 -6.713 1.00 0.00 C ATOM 758 CG HIS A 50 -8.539 -0.740 -7.965 1.00 0.00 C ATOM 759 ND1 HIS A 50 -9.582 -0.779 -8.864 1.00 0.00 N ATOM 760 CD2 HIS A 50 -7.598 -1.579 -8.452 1.00 0.00 C ATOM 761 CE1 HIS A 50 -9.283 -1.605 -9.848 1.00 0.00 C ATOM 762 NE2 HIS A 50 -8.082 -2.107 -9.626 1.00 0.00 N ATOM 0 H HIS A 50 -6.056 0.159 -5.938 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.755 1.835 -7.662 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.306 -0.552 -5.869 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.588 0.431 -6.547 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.641 -1.795 -8.001 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -9.915 -1.833 -10.694 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -7.595 -2.774 -10.225 1.00 0.00 H new ATOM 771 N ILE A 51 -7.999 3.505 -5.780 1.00 0.00 N ATOM 772 CA ILE A 51 -8.353 4.455 -4.738 1.00 0.00 C ATOM 773 C ILE A 51 -9.846 4.733 -4.771 1.00 0.00 C ATOM 774 O ILE A 51 -10.322 5.531 -5.576 1.00 0.00 O ATOM 775 CB ILE A 51 -7.591 5.801 -4.860 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.078 5.602 -4.740 1.00 0.00 C ATOM 777 CG2 ILE A 51 -8.064 6.781 -3.799 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.426 5.116 -6.012 1.00 0.00 C ATOM 0 H ILE A 51 -7.763 3.928 -6.678 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.066 3.995 -3.792 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.806 6.208 -5.848 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.619 6.545 -4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.877 4.886 -3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.518 7.719 -3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.131 6.967 -3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.883 6.361 -2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.355 4.998 -5.850 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.857 4.157 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.595 5.842 -6.808 1.00 0.00 H new ATOM 790 N VAL A 52 -10.587 4.046 -3.920 1.00 0.00 N ATOM 791 CA VAL A 52 -12.017 4.273 -3.829 1.00 0.00 C ATOM 792 C VAL A 52 -12.287 5.470 -2.934 1.00 0.00 C ATOM 793 O VAL A 52 -12.000 5.441 -1.734 1.00 0.00 O ATOM 794 CB VAL A 52 -12.773 3.043 -3.288 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.278 3.247 -3.408 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.338 1.779 -4.017 1.00 0.00 C ATOM 0 H VAL A 52 -10.226 3.332 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.382 4.464 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.527 2.925 -2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.796 2.369 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.573 4.125 -2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.543 3.393 -4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.884 0.923 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.550 1.882 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.268 1.626 -3.873 1.00 0.00 H new ATOM 806 N LEU A 53 -12.815 6.527 -3.530 1.00 0.00 N ATOM 807 CA LEU A 53 -13.127 7.740 -2.797 1.00 0.00 C ATOM 808 C LEU A 53 -14.323 7.509 -1.887 1.00 0.00 C ATOM 809 O LEU A 53 -15.002 6.485 -1.984 1.00 0.00 O ATOM 810 CB LEU A 53 -13.422 8.886 -3.768 1.00 0.00 C ATOM 811 CG LEU A 53 -12.292 9.218 -4.748 1.00 0.00 C ATOM 812 CD1 LEU A 53 -12.705 10.355 -5.670 1.00 0.00 C ATOM 813 CD2 LEU A 53 -11.018 9.579 -3.999 1.00 0.00 C ATOM 0 H LEU A 53 -13.037 6.568 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.265 8.010 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.315 8.635 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.654 9.780 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.094 8.333 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.891 10.578 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.590 10.062 -6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.931 11.241 -5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.229 9.811 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.201 10.448 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.710 8.737 -3.379 1.00 0.00 H new ATOM 825 N LYS A 54 -14.600 8.466 -1.014 1.00 0.00 N ATOM 826 CA LYS A 54 -15.734 8.347 -0.108 1.00 0.00 C ATOM 827 C LYS A 54 -17.005 8.810 -0.812 1.00 0.00 C ATOM 828 O LYS A 54 -18.037 9.027 -0.180 1.00 0.00 O ATOM 829 CB LYS A 54 -15.511 9.176 1.161 1.00 0.00 C ATOM 830 CG LYS A 54 -16.165 8.574 2.399 1.00 0.00 C ATOM 831 CD LYS A 54 -16.323 9.597 3.516 1.00 0.00 C ATOM 832 CE LYS A 54 -17.453 10.571 3.222 1.00 0.00 C ATOM 833 NZ LYS A 54 -18.776 9.892 3.193 1.00 0.00 N ATOM 0 H LYS A 54 -14.061 9.326 -0.913 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.836 7.301 0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.440 9.276 1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.904 10.181 1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.143 8.173 2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.564 7.738 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.520 9.083 4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.390 10.147 3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.463 11.355 3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.273 11.057 2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -19.422 10.361 3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -19.172 9.945 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -18.661 8.895 3.466 1.00 0.00 H new ATOM 847 N ASN A 55 -16.917 8.958 -2.127 1.00 0.00 N ATOM 848 CA ASN A 55 -18.039 9.430 -2.915 1.00 0.00 C ATOM 849 C ASN A 55 -18.152 8.626 -4.211 1.00 0.00 C ATOM 850 O ASN A 55 -18.229 9.193 -5.305 1.00 0.00 O ATOM 851 CB ASN A 55 -17.888 10.927 -3.209 1.00 0.00 C ATOM 852 CG ASN A 55 -19.152 11.539 -3.784 1.00 0.00 C ATOM 853 OD1 ASN A 55 -20.259 11.056 -3.540 1.00 0.00 O ATOM 854 ND2 ASN A 55 -19.001 12.616 -4.534 1.00 0.00 N ATOM 0 H ASN A 55 -16.076 8.756 -2.668 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.957 9.286 -2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -17.622 11.449 -2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -17.066 11.075 -3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -19.818 13.078 -4.934 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -18.067 12.986 -4.713 1.00 0.00 H new ATOM 861 N ASP A 56 -18.099 7.298 -4.070 1.00 0.00 N ATOM 862 CA ASP A 56 -18.452 6.360 -5.154 1.00 0.00 C ATOM 863 C ASP A 56 -17.349 6.196 -6.212 1.00 0.00 C ATOM 864 O ASP A 56 -17.038 5.073 -6.615 1.00 0.00 O ATOM 865 CB ASP A 56 -19.775 6.795 -5.802 1.00 0.00 C ATOM 866 CG ASP A 56 -20.041 6.140 -7.140 1.00 0.00 C ATOM 867 OD1 ASP A 56 -20.366 4.935 -7.171 1.00 0.00 O ATOM 868 OD2 ASP A 56 -19.966 6.848 -8.167 1.00 0.00 O ATOM 0 H ASP A 56 -17.812 6.838 -3.206 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.568 5.376 -4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -20.596 6.562 -5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.767 7.877 -5.932 1.00 0.00 H new ATOM 873 N ASN A 57 -16.761 7.297 -6.653 1.00 0.00 N ATOM 874 CA ASN A 57 -15.758 7.255 -7.719 1.00 0.00 C ATOM 875 C ASN A 57 -14.470 6.576 -7.249 1.00 0.00 C ATOM 876 O ASN A 57 -14.072 6.707 -6.089 1.00 0.00 O ATOM 877 CB ASN A 57 -15.461 8.674 -8.224 1.00 0.00 C ATOM 878 CG ASN A 57 -14.491 8.691 -9.392 1.00 0.00 C ATOM 879 OD1 ASN A 57 -14.444 7.758 -10.190 1.00 0.00 O ATOM 880 ND2 ASN A 57 -13.718 9.759 -9.507 1.00 0.00 N ATOM 0 H ASN A 57 -16.957 8.231 -6.294 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.165 6.664 -8.539 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -16.394 9.150 -8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -15.050 9.267 -7.407 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.054 9.827 -10.278 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.786 10.514 -8.824 1.00 0.00 H new ATOM 887 N THR A 58 -13.836 5.835 -8.151 1.00 0.00 N ATOM 888 CA THR A 58 -12.598 5.138 -7.843 1.00 0.00 C ATOM 889 C THR A 58 -11.482 5.558 -8.801 1.00 0.00 C ATOM 890 O THR A 58 -11.657 5.550 -10.021 1.00 0.00 O ATOM 891 CB THR A 58 -12.786 3.610 -7.919 1.00 0.00 C ATOM 892 OG1 THR A 58 -13.858 3.205 -7.055 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.509 2.881 -7.522 1.00 0.00 C ATOM 0 H THR A 58 -14.164 5.703 -9.108 1.00 0.00 H new ATOM 0 HA THR A 58 -12.318 5.410 -6.825 1.00 0.00 H new ATOM 0 HB THR A 58 -13.027 3.350 -8.950 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.973 2.233 -7.110 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.670 1.805 -7.585 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.702 3.167 -8.197 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.240 3.149 -6.500 1.00 0.00 H new ATOM 901 N VAL A 59 -10.341 5.925 -8.235 1.00 0.00 N ATOM 902 CA VAL A 59 -9.176 6.310 -9.019 1.00 0.00 C ATOM 903 C VAL A 59 -8.272 5.103 -9.237 1.00 0.00 C ATOM 904 O VAL A 59 -7.784 4.503 -8.281 1.00 0.00 O ATOM 905 CB VAL A 59 -8.365 7.418 -8.314 1.00 0.00 C ATOM 906 CG1 VAL A 59 -7.284 7.969 -9.233 1.00 0.00 C ATOM 907 CG2 VAL A 59 -9.277 8.526 -7.815 1.00 0.00 C ATOM 0 H VAL A 59 -10.197 5.964 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.534 6.690 -9.976 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.873 6.976 -7.447 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.727 8.748 -8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.605 7.166 -9.518 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.745 8.388 -10.127 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.681 9.294 -7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.810 8.966 -8.658 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.996 8.114 -7.106 1.00 0.00 H new ATOM 917 N LEU A 60 -8.062 4.734 -10.487 1.00 0.00 N ATOM 918 CA LEU A 60 -7.211 3.600 -10.803 1.00 0.00 C ATOM 919 C LEU A 60 -5.826 4.059 -11.248 1.00 0.00 C ATOM 920 O LEU A 60 -5.658 4.610 -12.336 1.00 0.00 O ATOM 921 CB LEU A 60 -7.858 2.726 -11.881 1.00 0.00 C ATOM 922 CG LEU A 60 -7.019 1.532 -12.351 1.00 0.00 C ATOM 923 CD1 LEU A 60 -6.599 0.662 -11.174 1.00 0.00 C ATOM 924 CD2 LEU A 60 -7.798 0.711 -13.363 1.00 0.00 C ATOM 0 H LEU A 60 -8.467 5.201 -11.298 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.094 3.005 -9.897 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.809 2.353 -11.500 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.084 3.352 -12.744 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.116 1.916 -12.826 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.005 -0.177 -11.536 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.005 1.254 -10.478 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.486 0.286 -10.665 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.192 -0.134 -13.690 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.716 0.344 -12.904 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.046 1.333 -14.223 1.00 0.00 H new ATOM 936 N LEU A 61 -4.840 3.826 -10.394 1.00 0.00 N ATOM 937 CA LEU A 61 -3.462 4.167 -10.706 1.00 0.00 C ATOM 938 C LEU A 61 -2.757 2.969 -11.319 1.00 0.00 C ATOM 939 O LEU A 61 -2.989 1.829 -10.913 1.00 0.00 O ATOM 940 CB LEU A 61 -2.711 4.609 -9.453 1.00 0.00 C ATOM 941 CG LEU A 61 -3.318 5.795 -8.710 1.00 0.00 C ATOM 942 CD1 LEU A 61 -2.440 6.175 -7.529 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.506 6.976 -9.648 1.00 0.00 C ATOM 0 H LEU A 61 -4.971 3.400 -9.476 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.471 4.993 -11.418 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.653 3.764 -8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.689 4.862 -9.733 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.299 5.507 -8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.882 7.023 -7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.361 5.328 -6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.447 6.447 -7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.940 7.811 -9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.540 7.273 -10.057 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.173 6.692 -10.462 1.00 0.00 H new ATOM 955 N LYS A 62 -1.896 3.224 -12.288 1.00 0.00 N ATOM 956 CA LYS A 62 -1.183 2.156 -12.961 1.00 0.00 C ATOM 957 C LYS A 62 0.313 2.427 -12.997 1.00 0.00 C ATOM 958 O LYS A 62 0.784 3.241 -13.792 1.00 0.00 O ATOM 959 CB LYS A 62 -1.698 1.979 -14.392 1.00 0.00 C ATOM 960 CG LYS A 62 -3.155 1.563 -14.482 1.00 0.00 C ATOM 961 CD LYS A 62 -3.608 1.470 -15.931 1.00 0.00 C ATOM 962 CE LYS A 62 -5.039 0.978 -16.043 1.00 0.00 C ATOM 963 NZ LYS A 62 -5.503 0.968 -17.454 1.00 0.00 N ATOM 0 H LYS A 62 -1.675 4.161 -12.625 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.361 1.241 -12.396 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.565 2.916 -14.932 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.086 1.231 -14.896 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.292 0.599 -13.992 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.776 2.283 -13.949 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.522 2.449 -16.402 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.948 0.795 -16.476 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.113 -0.027 -15.628 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.692 1.617 -15.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.485 0.627 -17.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.455 1.932 -17.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.894 0.339 -18.015 1.00 0.00 H new ATOM 977 N GLY A 63 1.051 1.778 -12.108 1.00 0.00 N ATOM 978 CA GLY A 63 2.493 1.770 -12.225 1.00 0.00 C ATOM 979 C GLY A 63 2.905 0.904 -13.396 1.00 0.00 C ATOM 980 O GLY A 63 3.517 1.383 -14.350 1.00 0.00 O ATOM 0 H GLY A 63 0.679 1.260 -11.312 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.862 2.786 -12.364 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.940 1.392 -11.306 1.00 0.00 H new ATOM 984 N LEU A 64 2.553 -0.380 -13.307 1.00 0.00 N ATOM 985 CA LEU A 64 2.664 -1.317 -14.423 1.00 0.00 C ATOM 986 C LEU A 64 4.105 -1.441 -14.915 1.00 0.00 C ATOM 987 O LEU A 64 4.358 -1.736 -16.084 1.00 0.00 O ATOM 988 CB LEU A 64 1.735 -0.869 -15.557 1.00 0.00 C ATOM 989 CG LEU A 64 1.457 -1.912 -16.641 1.00 0.00 C ATOM 990 CD1 LEU A 64 0.829 -3.156 -16.033 1.00 0.00 C ATOM 991 CD2 LEU A 64 0.552 -1.330 -17.711 1.00 0.00 C ATOM 0 H LEU A 64 2.182 -0.799 -12.455 1.00 0.00 H new ATOM 0 HA LEU A 64 2.361 -2.305 -14.077 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.784 -0.562 -15.122 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.169 0.012 -16.030 1.00 0.00 H new ATOM 0 HG LEU A 64 2.403 -2.195 -17.102 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.638 -3.888 -16.818 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.509 -3.584 -15.296 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.110 -2.890 -15.549 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.362 -2.083 -18.476 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.393 -1.024 -17.261 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.035 -0.465 -18.165 1.00 0.00 H new ATOM 1003 N LYS A 65 5.052 -1.240 -14.012 1.00 0.00 N ATOM 1004 CA LYS A 65 6.461 -1.317 -14.361 1.00 0.00 C ATOM 1005 C LYS A 65 7.051 -2.670 -13.966 1.00 0.00 C ATOM 1006 O LYS A 65 8.268 -2.851 -13.979 1.00 0.00 O ATOM 1007 CB LYS A 65 7.234 -0.174 -13.700 1.00 0.00 C ATOM 1008 CG LYS A 65 6.838 1.202 -14.222 1.00 0.00 C ATOM 1009 CD LYS A 65 7.728 2.311 -13.676 1.00 0.00 C ATOM 1010 CE LYS A 65 7.270 2.821 -12.312 1.00 0.00 C ATOM 1011 NZ LYS A 65 7.388 1.801 -11.236 1.00 0.00 N ATOM 0 H LYS A 65 4.870 -1.022 -13.032 1.00 0.00 H new ATOM 0 HA LYS A 65 6.552 -1.218 -15.443 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.069 -0.208 -12.623 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.301 -0.324 -13.864 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.889 1.203 -15.311 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.802 1.405 -13.951 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.751 1.943 -13.596 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.742 3.141 -14.383 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.861 3.696 -12.041 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.232 3.147 -12.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.565 2.274 -10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.504 1.256 -11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.177 1.159 -11.452 1.00 0.00 H new ATOM 1025 N ASN A 66 6.166 -3.615 -13.633 1.00 0.00 N ATOM 1026 CA ASN A 66 6.552 -4.987 -13.280 1.00 0.00 C ATOM 1027 C ASN A 66 7.379 -5.037 -11.997 1.00 0.00 C ATOM 1028 O ASN A 66 8.582 -4.781 -12.002 1.00 0.00 O ATOM 1029 CB ASN A 66 7.315 -5.668 -14.429 1.00 0.00 C ATOM 1030 CG ASN A 66 7.791 -7.068 -14.067 1.00 0.00 C ATOM 1031 OD1 ASN A 66 8.889 -7.249 -13.538 1.00 0.00 O ATOM 1032 ND2 ASN A 66 6.979 -8.070 -14.366 1.00 0.00 N ATOM 0 H ASN A 66 5.160 -3.451 -13.600 1.00 0.00 H new ATOM 0 HA ASN A 66 5.627 -5.535 -13.104 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.670 -5.723 -15.306 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.174 -5.056 -14.703 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.255 -9.030 -14.159 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.077 -7.882 -14.804 1.00 0.00 H new ATOM 1039 N ILE A 67 6.714 -5.344 -10.893 1.00 0.00 N ATOM 1040 CA ILE A 67 7.400 -5.577 -9.630 1.00 0.00 C ATOM 1041 C ILE A 67 7.343 -7.066 -9.309 1.00 0.00 C ATOM 1042 O ILE A 67 8.373 -7.709 -9.118 1.00 0.00 O ATOM 1043 CB ILE A 67 6.792 -4.755 -8.459 1.00 0.00 C ATOM 1044 CG1 ILE A 67 7.051 -3.250 -8.637 1.00 0.00 C ATOM 1045 CG2 ILE A 67 7.357 -5.220 -7.122 1.00 0.00 C ATOM 1046 CD1 ILE A 67 6.224 -2.591 -9.721 1.00 0.00 C ATOM 0 H ILE A 67 5.699 -5.438 -10.846 1.00 0.00 H new ATOM 0 HA ILE A 67 8.433 -5.246 -9.741 1.00 0.00 H new ATOM 0 HB ILE A 67 5.715 -4.923 -8.468 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.853 -2.746 -7.691 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.107 -3.101 -8.863 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.918 -4.631 -6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.119 -6.273 -6.973 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.439 -5.089 -7.119 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.473 -1.531 -9.775 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.438 -3.063 -10.680 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.165 -2.703 -9.490 1.00 0.00 H new ATOM 1058 N VAL A 68 6.115 -7.588 -9.272 1.00 0.00 N ATOM 1059 CA VAL A 68 5.843 -9.017 -9.093 1.00 0.00 C ATOM 1060 C VAL A 68 6.733 -9.652 -8.022 1.00 0.00 C ATOM 1061 O VAL A 68 7.599 -10.480 -8.311 1.00 0.00 O ATOM 1062 CB VAL A 68 5.984 -9.796 -10.423 1.00 0.00 C ATOM 1063 CG1 VAL A 68 5.463 -11.219 -10.278 1.00 0.00 C ATOM 1064 CG2 VAL A 68 5.249 -9.076 -11.545 1.00 0.00 C ATOM 0 H VAL A 68 5.271 -7.024 -9.367 1.00 0.00 H new ATOM 0 HA VAL A 68 4.809 -9.085 -8.754 1.00 0.00 H new ATOM 0 HB VAL A 68 7.043 -9.844 -10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.573 -11.745 -11.226 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.032 -11.738 -9.507 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.410 -11.194 -9.997 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.359 -9.639 -12.472 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.191 -8.995 -11.294 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.669 -8.078 -11.674 1.00 0.00 H new ATOM 1074 N SER A 69 6.534 -9.241 -6.784 1.00 0.00 N ATOM 1075 CA SER A 69 7.267 -9.819 -5.673 1.00 0.00 C ATOM 1076 C SER A 69 6.361 -10.748 -4.877 1.00 0.00 C ATOM 1077 O SER A 69 6.765 -11.309 -3.862 1.00 0.00 O ATOM 1078 CB SER A 69 7.819 -8.713 -4.776 1.00 0.00 C ATOM 1079 OG SER A 69 8.608 -7.802 -5.523 1.00 0.00 O ATOM 0 H SER A 69 5.872 -8.510 -6.522 1.00 0.00 H new ATOM 0 HA SER A 69 8.103 -10.399 -6.063 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.996 -8.181 -4.299 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.419 -9.151 -3.979 1.00 0.00 H new ATOM 0 HG SER A 69 9.541 -8.102 -5.525 1.00 0.00 H new ATOM 1085 N VAL A 70 5.136 -10.912 -5.360 1.00 0.00 N ATOM 1086 CA VAL A 70 4.135 -11.699 -4.660 1.00 0.00 C ATOM 1087 C VAL A 70 4.396 -13.190 -4.826 1.00 0.00 C ATOM 1088 O VAL A 70 4.475 -13.700 -5.943 1.00 0.00 O ATOM 1089 CB VAL A 70 2.710 -11.374 -5.153 1.00 0.00 C ATOM 1090 CG1 VAL A 70 1.673 -12.136 -4.343 1.00 0.00 C ATOM 1091 CG2 VAL A 70 2.453 -9.876 -5.084 1.00 0.00 C ATOM 0 H VAL A 70 4.813 -10.507 -6.239 1.00 0.00 H new ATOM 0 HA VAL A 70 4.209 -11.436 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 70 2.626 -11.690 -6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.675 -11.892 -4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.845 -13.207 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.754 -11.856 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.443 -9.664 -5.435 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.558 -9.536 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.174 -9.354 -5.714 1.00 0.00 H new ATOM 1101 N LYS A 71 4.542 -13.873 -3.705 1.00 0.00 N ATOM 1102 CA LYS A 71 4.710 -15.316 -3.698 1.00 0.00 C ATOM 1103 C LYS A 71 3.420 -15.987 -3.263 1.00 0.00 C ATOM 1104 O LYS A 71 2.567 -15.358 -2.635 1.00 0.00 O ATOM 1105 CB LYS A 71 5.844 -15.712 -2.752 1.00 0.00 C ATOM 1106 CG LYS A 71 7.233 -15.496 -3.328 1.00 0.00 C ATOM 1107 CD LYS A 71 7.512 -16.476 -4.457 1.00 0.00 C ATOM 1108 CE LYS A 71 8.924 -16.330 -4.993 1.00 0.00 C ATOM 1109 NZ LYS A 71 9.240 -17.374 -6.002 1.00 0.00 N ATOM 0 H LYS A 71 4.548 -13.447 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 71 4.961 -15.643 -4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.751 -15.138 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.731 -16.763 -2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.323 -14.475 -3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.979 -15.618 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.362 -17.495 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.798 -16.313 -5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.043 -15.343 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.634 -16.394 -4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.213 -17.242 -6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.151 -18.315 -5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.578 -17.297 -6.800 1.00 0.00 H new ATOM 1123 N PHE A 72 3.273 -17.260 -3.598 1.00 0.00 N ATOM 1124 CA PHE A 72 2.118 -18.021 -3.157 1.00 0.00 C ATOM 1125 C PHE A 72 2.335 -18.460 -1.715 1.00 0.00 C ATOM 1126 O PHE A 72 2.744 -19.589 -1.447 1.00 0.00 O ATOM 1127 CB PHE A 72 1.870 -19.236 -4.062 1.00 0.00 C ATOM 1128 CG PHE A 72 1.520 -18.872 -5.476 1.00 0.00 C ATOM 1129 CD1 PHE A 72 0.200 -18.684 -5.848 1.00 0.00 C ATOM 1130 CD2 PHE A 72 2.509 -18.722 -6.433 1.00 0.00 C ATOM 1131 CE1 PHE A 72 -0.127 -18.350 -7.149 1.00 0.00 C ATOM 1132 CE2 PHE A 72 2.191 -18.390 -7.734 1.00 0.00 C ATOM 1133 CZ PHE A 72 0.871 -18.203 -8.093 1.00 0.00 C ATOM 0 H PHE A 72 3.935 -17.784 -4.170 1.00 0.00 H new ATOM 0 HA PHE A 72 1.233 -17.388 -3.218 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.762 -19.862 -4.067 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.063 -19.834 -3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.583 -18.800 -5.114 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.543 -18.867 -6.158 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.160 -18.204 -7.427 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.973 -18.277 -8.470 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.619 -17.942 -9.110 1.00 0.00 H new ATOM 1143 N SER A 73 2.121 -17.534 -0.796 1.00 0.00 N ATOM 1144 CA SER A 73 2.348 -17.790 0.614 1.00 0.00 C ATOM 1145 C SER A 73 1.273 -17.120 1.461 1.00 0.00 C ATOM 1146 O SER A 73 0.393 -16.432 0.940 1.00 0.00 O ATOM 1147 CB SER A 73 3.738 -17.286 1.015 1.00 0.00 C ATOM 1148 OG SER A 73 4.744 -17.892 0.220 1.00 0.00 O ATOM 0 H SER A 73 1.788 -16.593 -1.004 1.00 0.00 H new ATOM 0 HA SER A 73 2.296 -18.865 0.789 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.783 -16.203 0.902 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.919 -17.505 2.067 1.00 0.00 H new ATOM 0 HG SER A 73 5.623 -17.555 0.492 1.00 0.00 H new ATOM 1154 N LYS A 74 1.354 -17.330 2.764 1.00 0.00 N ATOM 1155 CA LYS A 74 0.373 -16.800 3.697 1.00 0.00 C ATOM 1156 C LYS A 74 1.038 -16.531 5.040 1.00 0.00 C ATOM 1157 O LYS A 74 0.408 -16.628 6.097 1.00 0.00 O ATOM 1158 CB LYS A 74 -0.768 -17.809 3.864 1.00 0.00 C ATOM 1159 CG LYS A 74 -0.284 -19.203 4.243 1.00 0.00 C ATOM 1160 CD LYS A 74 -1.436 -20.178 4.422 1.00 0.00 C ATOM 1161 CE LYS A 74 -0.931 -21.558 4.817 1.00 0.00 C ATOM 1162 NZ LYS A 74 -0.158 -21.524 6.088 1.00 0.00 N ATOM 0 H LYS A 74 2.099 -17.871 3.204 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.032 -15.865 3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.454 -17.449 4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.332 -17.868 2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.389 -19.575 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.291 -19.148 5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.117 -19.804 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.005 -20.247 3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.777 -22.237 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.302 -21.956 4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.050 -22.491 6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.781 -21.114 5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.664 -20.943 6.787 1.00 0.00 H new ATOM 1176 N ASP A 75 2.307 -16.165 4.996 1.00 0.00 N ATOM 1177 CA ASP A 75 3.099 -16.047 6.211 1.00 0.00 C ATOM 1178 C ASP A 75 2.971 -14.664 6.829 1.00 0.00 C ATOM 1179 O ASP A 75 3.117 -13.650 6.151 1.00 0.00 O ATOM 1180 CB ASP A 75 4.568 -16.356 5.936 1.00 0.00 C ATOM 1181 CG ASP A 75 5.425 -16.149 7.167 1.00 0.00 C ATOM 1182 OD1 ASP A 75 5.164 -16.807 8.198 1.00 0.00 O ATOM 1183 OD2 ASP A 75 6.354 -15.324 7.115 1.00 0.00 O ATOM 0 H ASP A 75 2.811 -15.945 4.137 1.00 0.00 H new ATOM 0 HA ASP A 75 2.710 -16.777 6.921 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.665 -17.387 5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.929 -15.718 5.130 1.00 0.00 H new ATOM 1188 N ARG A 76 2.705 -14.636 8.125 1.00 0.00 N ATOM 1189 CA ARG A 76 2.574 -13.390 8.863 1.00 0.00 C ATOM 1190 C ARG A 76 3.918 -12.957 9.444 1.00 0.00 C ATOM 1191 O ARG A 76 4.095 -11.800 9.830 1.00 0.00 O ATOM 1192 CB ARG A 76 1.545 -13.548 9.983 1.00 0.00 C ATOM 1193 CG ARG A 76 0.101 -13.546 9.500 1.00 0.00 C ATOM 1194 CD ARG A 76 -0.634 -14.823 9.882 1.00 0.00 C ATOM 1195 NE ARG A 76 -0.352 -15.925 8.961 1.00 0.00 N ATOM 1196 CZ ARG A 76 -0.758 -17.183 9.150 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -1.380 -17.529 10.269 1.00 0.00 N ATOM 1198 NH2 ARG A 76 -0.520 -18.098 8.219 1.00 0.00 N ATOM 0 H ARG A 76 2.574 -15.473 8.693 1.00 0.00 H new ATOM 0 HA ARG A 76 2.235 -12.618 8.172 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.739 -14.481 10.512 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.678 -12.740 10.702 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.421 -12.688 9.923 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.082 -13.428 8.417 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.348 -15.115 10.892 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.707 -14.631 9.897 1.00 0.00 H new ATOM 0 HE ARG A 76 0.189 -15.719 8.121 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.552 -16.832 10.994 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.687 -18.492 10.405 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.029 -17.839 7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.828 -19.060 8.359 1.00 0.00 H new ATOM 1212 N HIS A 77 4.868 -13.887 9.491 1.00 0.00 N ATOM 1213 CA HIS A 77 6.183 -13.607 10.066 1.00 0.00 C ATOM 1214 C HIS A 77 6.953 -12.616 9.211 1.00 0.00 C ATOM 1215 O HIS A 77 7.486 -11.634 9.722 1.00 0.00 O ATOM 1216 CB HIS A 77 7.010 -14.884 10.227 1.00 0.00 C ATOM 1217 CG HIS A 77 6.631 -15.712 11.411 1.00 0.00 C ATOM 1218 ND1 HIS A 77 7.137 -15.492 12.673 1.00 0.00 N ATOM 1219 CD2 HIS A 77 5.801 -16.775 11.521 1.00 0.00 C ATOM 1220 CE1 HIS A 77 6.637 -16.384 13.506 1.00 0.00 C ATOM 1221 NE2 HIS A 77 5.823 -17.177 12.833 1.00 0.00 N ATOM 0 H HIS A 77 4.754 -14.838 9.140 1.00 0.00 H new ATOM 0 HA HIS A 77 6.011 -13.174 11.052 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.904 -15.488 9.326 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.063 -14.614 10.308 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.227 -17.224 10.724 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.856 -16.454 14.561 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.298 -17.959 13.224 1.00 0.00 H new ATOM 1230 N LEU A 78 7.016 -12.876 7.913 1.00 0.00 N ATOM 1231 CA LEU A 78 7.736 -12.006 6.996 1.00 0.00 C ATOM 1232 C LEU A 78 7.100 -10.619 6.960 1.00 0.00 C ATOM 1233 O LEU A 78 7.794 -9.617 6.790 1.00 0.00 O ATOM 1234 CB LEU A 78 7.776 -12.625 5.596 1.00 0.00 C ATOM 1235 CG LEU A 78 8.697 -11.917 4.599 1.00 0.00 C ATOM 1236 CD1 LEU A 78 10.113 -11.831 5.146 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.695 -12.644 3.265 1.00 0.00 C ATOM 0 H LEU A 78 6.576 -13.684 7.471 1.00 0.00 H new ATOM 0 HA LEU A 78 8.761 -11.898 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.092 -13.664 5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.764 -12.633 5.190 1.00 0.00 H new ATOM 0 HG LEU A 78 8.321 -10.905 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.752 -11.325 4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.108 -11.271 6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.495 -12.836 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.355 -12.127 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.046 -13.666 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.683 -12.661 2.861 1.00 0.00 H new ATOM 1249 N ILE A 79 5.784 -10.564 7.141 1.00 0.00 N ATOM 1250 CA ILE A 79 5.083 -9.290 7.252 1.00 0.00 C ATOM 1251 C ILE A 79 5.597 -8.521 8.465 1.00 0.00 C ATOM 1252 O ILE A 79 6.021 -7.370 8.358 1.00 0.00 O ATOM 1253 CB ILE A 79 3.555 -9.488 7.395 1.00 0.00 C ATOM 1254 CG1 ILE A 79 3.008 -10.281 6.205 1.00 0.00 C ATOM 1255 CG2 ILE A 79 2.846 -8.143 7.511 1.00 0.00 C ATOM 1256 CD1 ILE A 79 1.532 -10.604 6.313 1.00 0.00 C ATOM 0 H ILE A 79 5.183 -11.385 7.214 1.00 0.00 H new ATOM 0 HA ILE A 79 5.274 -8.729 6.337 1.00 0.00 H new ATOM 0 HB ILE A 79 3.365 -10.054 8.307 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.180 -9.712 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.568 -11.211 6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.773 -8.305 7.611 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.216 -7.611 8.388 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.042 -7.550 6.618 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.217 -11.167 5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.355 -11.200 7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.960 -9.678 6.375 1.00 0.00 H new ATOM 1268 N GLU A 80 5.580 -9.190 9.612 1.00 0.00 N ATOM 1269 CA GLU A 80 6.049 -8.611 10.865 1.00 0.00 C ATOM 1270 C GLU A 80 7.533 -8.250 10.781 1.00 0.00 C ATOM 1271 O GLU A 80 7.965 -7.219 11.308 1.00 0.00 O ATOM 1272 CB GLU A 80 5.793 -9.600 12.002 1.00 0.00 C ATOM 1273 CG GLU A 80 6.328 -9.157 13.350 1.00 0.00 C ATOM 1274 CD GLU A 80 5.913 -10.096 14.461 1.00 0.00 C ATOM 1275 OE1 GLU A 80 6.417 -11.238 14.498 1.00 0.00 O ATOM 1276 OE2 GLU A 80 5.063 -9.703 15.285 1.00 0.00 O ATOM 0 H GLU A 80 5.241 -10.148 9.699 1.00 0.00 H new ATOM 0 HA GLU A 80 5.500 -7.689 11.060 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.719 -9.766 12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.244 -10.558 11.743 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.416 -9.103 13.308 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.967 -8.152 13.571 1.00 0.00 H new ATOM 1283 N THR A 81 8.302 -9.091 10.100 1.00 0.00 N ATOM 1284 CA THR A 81 9.727 -8.855 9.917 1.00 0.00 C ATOM 1285 C THR A 81 9.963 -7.604 9.072 1.00 0.00 C ATOM 1286 O THR A 81 10.786 -6.761 9.414 1.00 0.00 O ATOM 1287 CB THR A 81 10.415 -10.068 9.251 1.00 0.00 C ATOM 1288 OG1 THR A 81 10.132 -11.258 10.000 1.00 0.00 O ATOM 1289 CG2 THR A 81 11.921 -9.869 9.170 1.00 0.00 C ATOM 0 H THR A 81 7.959 -9.947 9.664 1.00 0.00 H new ATOM 0 HA THR A 81 10.163 -8.707 10.905 1.00 0.00 H new ATOM 0 HB THR A 81 10.024 -10.165 8.238 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.272 -11.629 9.712 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.378 -10.738 8.697 1.00 0.00 H new ATOM 0 HG22 THR A 81 12.139 -8.979 8.580 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.326 -9.747 10.174 1.00 0.00 H new ATOM 1297 N THR A 82 9.213 -7.478 7.985 1.00 0.00 N ATOM 1298 CA THR A 82 9.350 -6.339 7.089 1.00 0.00 C ATOM 1299 C THR A 82 8.857 -5.051 7.754 1.00 0.00 C ATOM 1300 O THR A 82 9.382 -3.967 7.494 1.00 0.00 O ATOM 1301 CB THR A 82 8.587 -6.590 5.774 1.00 0.00 C ATOM 1302 OG1 THR A 82 9.024 -7.831 5.208 1.00 0.00 O ATOM 1303 CG2 THR A 82 8.826 -5.468 4.774 1.00 0.00 C ATOM 0 H THR A 82 8.502 -8.153 7.703 1.00 0.00 H new ATOM 0 HA THR A 82 10.409 -6.218 6.861 1.00 0.00 H new ATOM 0 HB THR A 82 7.520 -6.628 5.996 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.560 -8.573 5.649 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.274 -5.674 3.857 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.485 -4.524 5.198 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.891 -5.401 4.550 1.00 0.00 H new ATOM 1311 N SER A 83 7.861 -5.175 8.624 1.00 0.00 N ATOM 1312 CA SER A 83 7.367 -4.037 9.385 1.00 0.00 C ATOM 1313 C SER A 83 8.475 -3.496 10.291 1.00 0.00 C ATOM 1314 O SER A 83 8.750 -2.294 10.312 1.00 0.00 O ATOM 1315 CB SER A 83 6.144 -4.449 10.213 1.00 0.00 C ATOM 1316 OG SER A 83 5.523 -3.331 10.817 1.00 0.00 O ATOM 0 H SER A 83 7.381 -6.053 8.819 1.00 0.00 H new ATOM 0 HA SER A 83 7.066 -3.248 8.696 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.427 -4.962 9.573 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.448 -5.158 10.984 1.00 0.00 H new ATOM 0 HG SER A 83 4.747 -3.629 11.336 1.00 0.00 H new ATOM 1322 N ASN A 84 9.138 -4.403 11.006 1.00 0.00 N ATOM 1323 CA ASN A 84 10.260 -4.036 11.862 1.00 0.00 C ATOM 1324 C ASN A 84 11.451 -3.579 11.028 1.00 0.00 C ATOM 1325 O ASN A 84 12.245 -2.746 11.467 1.00 0.00 O ATOM 1326 CB ASN A 84 10.675 -5.209 12.751 1.00 0.00 C ATOM 1327 CG ASN A 84 9.775 -5.385 13.962 1.00 0.00 C ATOM 1328 OD1 ASN A 84 10.006 -4.781 15.010 1.00 0.00 O ATOM 1329 ND2 ASN A 84 8.747 -6.211 13.833 1.00 0.00 N ATOM 0 H ASN A 84 8.916 -5.398 11.008 1.00 0.00 H new ATOM 0 HA ASN A 84 9.935 -3.211 12.496 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.664 -6.126 12.161 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.701 -5.058 13.087 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.114 -6.364 14.618 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.588 -6.693 12.948 1.00 0.00 H new ATOM 1336 N LYS A 85 11.568 -4.130 9.825 1.00 0.00 N ATOM 1337 CA LYS A 85 12.624 -3.754 8.891 1.00 0.00 C ATOM 1338 C LYS A 85 12.510 -2.273 8.538 1.00 0.00 C ATOM 1339 O LYS A 85 13.494 -1.533 8.588 1.00 0.00 O ATOM 1340 CB LYS A 85 12.515 -4.601 7.620 1.00 0.00 C ATOM 1341 CG LYS A 85 13.731 -4.537 6.712 1.00 0.00 C ATOM 1342 CD LYS A 85 14.913 -5.277 7.314 1.00 0.00 C ATOM 1343 CE LYS A 85 16.002 -5.512 6.279 1.00 0.00 C ATOM 1344 NZ LYS A 85 15.497 -6.286 5.113 1.00 0.00 N ATOM 0 H LYS A 85 10.936 -4.848 9.470 1.00 0.00 H new ATOM 0 HA LYS A 85 13.592 -3.931 9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.344 -5.639 7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.640 -4.277 7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.485 -4.969 5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.002 -3.496 6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.318 -4.703 8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.579 -6.233 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.392 -4.553 5.938 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.832 -6.048 6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.286 -6.797 4.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.780 -6.968 5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.072 -5.635 4.422 1.00 0.00 H new ATOM 1358 N LEU A 86 11.296 -1.856 8.190 1.00 0.00 N ATOM 1359 CA LEU A 86 11.013 -0.457 7.879 1.00 0.00 C ATOM 1360 C LEU A 86 11.256 0.420 9.103 1.00 0.00 C ATOM 1361 O LEU A 86 11.777 1.525 8.998 1.00 0.00 O ATOM 1362 CB LEU A 86 9.560 -0.301 7.415 1.00 0.00 C ATOM 1363 CG LEU A 86 9.146 1.121 7.019 1.00 0.00 C ATOM 1364 CD1 LEU A 86 9.751 1.503 5.680 1.00 0.00 C ATOM 1365 CD2 LEU A 86 7.633 1.252 6.976 1.00 0.00 C ATOM 0 H LEU A 86 10.486 -2.472 8.116 1.00 0.00 H new ATOM 0 HA LEU A 86 11.681 -0.141 7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.396 -0.960 6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.902 -0.644 8.214 1.00 0.00 H new ATOM 0 HG LEU A 86 9.526 1.806 7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.445 2.516 5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.838 1.458 5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.405 0.809 4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.364 2.270 6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.228 0.553 6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.220 1.028 7.960 1.00 0.00 H new ATOM 1377 N LYS A 87 10.887 -0.097 10.265 1.00 0.00 N ATOM 1378 CA LYS A 87 11.021 0.641 11.511 1.00 0.00 C ATOM 1379 C LYS A 87 12.493 0.848 11.870 1.00 0.00 C ATOM 1380 O LYS A 87 12.913 1.957 12.199 1.00 0.00 O ATOM 1381 CB LYS A 87 10.308 -0.117 12.635 1.00 0.00 C ATOM 1382 CG LYS A 87 10.149 0.679 13.922 1.00 0.00 C ATOM 1383 CD LYS A 87 9.600 -0.191 15.041 1.00 0.00 C ATOM 1384 CE LYS A 87 9.187 0.628 16.253 1.00 0.00 C ATOM 1385 NZ LYS A 87 10.286 1.501 16.748 1.00 0.00 N ATOM 0 H LYS A 87 10.490 -1.031 10.371 1.00 0.00 H new ATOM 0 HA LYS A 87 10.563 1.622 11.384 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.321 -0.420 12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.863 -1.029 12.852 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.113 1.092 14.219 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.480 1.522 13.751 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.741 -0.753 14.674 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.355 -0.919 15.337 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.325 1.244 15.996 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.872 -0.043 17.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.011 1.922 17.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.149 0.935 16.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.467 2.257 16.057 1.00 0.00 H new ATOM 1399 N SER A 88 13.272 -0.221 11.789 1.00 0.00 N ATOM 1400 CA SER A 88 14.663 -0.193 12.222 1.00 0.00 C ATOM 1401 C SER A 88 15.585 0.382 11.145 1.00 0.00 C ATOM 1402 O SER A 88 16.362 1.302 11.409 1.00 0.00 O ATOM 1403 CB SER A 88 15.111 -1.611 12.600 1.00 0.00 C ATOM 1404 OG SER A 88 16.422 -1.615 13.141 1.00 0.00 O ATOM 0 H SER A 88 12.963 -1.123 11.426 1.00 0.00 H new ATOM 0 HA SER A 88 14.732 0.461 13.091 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.415 -2.032 13.326 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.078 -2.251 11.718 1.00 0.00 H new ATOM 0 HG SER A 88 16.677 -2.532 13.373 1.00 0.00 H new ATOM 1410 N ARG A 89 15.491 -0.145 9.931 1.00 0.00 N ATOM 1411 CA ARG A 89 16.435 0.203 8.872 1.00 0.00 C ATOM 1412 C ARG A 89 15.913 1.294 7.952 1.00 0.00 C ATOM 1413 O ARG A 89 16.677 1.829 7.145 1.00 0.00 O ATOM 1414 CB ARG A 89 16.787 -1.034 8.047 1.00 0.00 C ATOM 1415 CG ARG A 89 18.042 -1.736 8.523 1.00 0.00 C ATOM 1416 CD ARG A 89 19.254 -0.829 8.398 1.00 0.00 C ATOM 1417 NE ARG A 89 19.427 -0.335 7.029 1.00 0.00 N ATOM 1418 CZ ARG A 89 20.360 0.546 6.664 1.00 0.00 C ATOM 1419 NH1 ARG A 89 21.228 1.011 7.548 1.00 0.00 N ATOM 1420 NH2 ARG A 89 20.437 0.948 5.402 1.00 0.00 N ATOM 0 H ARG A 89 14.773 -0.814 9.654 1.00 0.00 H new ATOM 0 HA ARG A 89 17.326 0.590 9.365 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.952 -1.734 8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 89 16.916 -0.742 7.005 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.919 -2.044 9.561 1.00 0.00 H new ATOM 0 HG3 ARG A 89 18.200 -2.642 7.939 1.00 0.00 H new ATOM 0 HD2 ARG A 89 19.147 0.016 9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 89 20.148 -1.373 8.704 1.00 0.00 H new ATOM 0 HE ARG A 89 18.794 -0.687 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 89 21.187 0.696 8.517 1.00 0.00 H new ATOM 0 HH12 ARG A 89 21.938 1.684 7.260 1.00 0.00 H new ATOM 0 HH21 ARG A 89 19.782 0.583 4.710 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.151 1.622 5.124 1.00 0.00 H new ATOM 1434 N GLU A 90 14.617 1.596 8.059 1.00 0.00 N ATOM 1435 CA GLU A 90 13.962 2.619 7.233 1.00 0.00 C ATOM 1436 C GLU A 90 13.788 2.145 5.788 1.00 0.00 C ATOM 1437 O GLU A 90 12.689 2.217 5.244 1.00 0.00 O ATOM 1438 CB GLU A 90 14.735 3.944 7.279 1.00 0.00 C ATOM 1439 CG GLU A 90 14.078 5.068 6.496 1.00 0.00 C ATOM 1440 CD GLU A 90 14.853 6.364 6.587 1.00 0.00 C ATOM 1441 OE1 GLU A 90 14.715 7.073 7.608 1.00 0.00 O ATOM 1442 OE2 GLU A 90 15.612 6.680 5.643 1.00 0.00 O ATOM 0 H GLU A 90 13.990 1.139 8.721 1.00 0.00 H new ATOM 0 HA GLU A 90 12.970 2.788 7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 90 14.844 4.254 8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 90 15.739 3.781 6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 90 13.988 4.774 5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 90 13.067 5.225 6.871 1.00 0.00 H new ATOM 1449 N ILE A 91 14.887 1.667 5.189 1.00 0.00 N ATOM 1450 CA ILE A 91 14.925 1.120 3.821 1.00 0.00 C ATOM 1451 C ILE A 91 14.199 2.011 2.805 1.00 0.00 C ATOM 1452 O ILE A 91 13.958 3.194 3.051 1.00 0.00 O ATOM 1453 CB ILE A 91 14.378 -0.338 3.738 1.00 0.00 C ATOM 1454 CG1 ILE A 91 12.880 -0.420 4.070 1.00 0.00 C ATOM 1455 CG2 ILE A 91 15.173 -1.246 4.668 1.00 0.00 C ATOM 1456 CD1 ILE A 91 12.299 -1.814 3.938 1.00 0.00 C ATOM 0 H ILE A 91 15.796 1.648 5.651 1.00 0.00 H new ATOM 0 HA ILE A 91 15.982 1.099 3.556 1.00 0.00 H new ATOM 0 HB ILE A 91 14.498 -0.673 2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.723 -0.066 5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.334 0.255 3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.784 -2.262 4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.222 -1.239 4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.082 -0.887 5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.238 -1.791 4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.422 -2.164 2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.818 -2.490 4.617 1.00 0.00 H new ATOM 1468 N THR A 92 13.916 1.456 1.639 1.00 0.00 N ATOM 1469 CA THR A 92 13.169 2.167 0.621 1.00 0.00 C ATOM 1470 C THR A 92 11.744 1.624 0.548 1.00 0.00 C ATOM 1471 O THR A 92 11.520 0.433 0.776 1.00 0.00 O ATOM 1472 CB THR A 92 13.845 2.020 -0.756 1.00 0.00 C ATOM 1473 OG1 THR A 92 15.270 2.047 -0.598 1.00 0.00 O ATOM 1474 CG2 THR A 92 13.414 3.135 -1.700 1.00 0.00 C ATOM 0 H THR A 92 14.195 0.511 1.375 1.00 0.00 H new ATOM 0 HA THR A 92 13.146 3.223 0.889 1.00 0.00 H new ATOM 0 HB THR A 92 13.539 1.067 -1.188 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.572 1.201 -0.207 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.906 3.006 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.333 3.099 -1.837 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.694 4.099 -1.276 1.00 0.00 H new ATOM 1482 N PHE A 93 10.788 2.493 0.228 1.00 0.00 N ATOM 1483 CA PHE A 93 9.383 2.096 0.126 1.00 0.00 C ATOM 1484 C PHE A 93 9.221 0.960 -0.888 1.00 0.00 C ATOM 1485 O PHE A 93 8.387 0.068 -0.720 1.00 0.00 O ATOM 1486 CB PHE A 93 8.525 3.299 -0.280 1.00 0.00 C ATOM 1487 CG PHE A 93 7.044 3.039 -0.239 1.00 0.00 C ATOM 1488 CD1 PHE A 93 6.359 3.076 0.964 1.00 0.00 C ATOM 1489 CD2 PHE A 93 6.338 2.768 -1.399 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.997 2.847 1.008 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.976 2.536 -1.361 1.00 0.00 C ATOM 1492 CZ PHE A 93 4.304 2.576 -0.156 1.00 0.00 C ATOM 0 H PHE A 93 10.960 3.480 0.034 1.00 0.00 H new ATOM 0 HA PHE A 93 9.049 1.739 1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.755 4.135 0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.802 3.605 -1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.895 3.286 1.878 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.858 2.738 -2.345 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.474 2.880 1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.438 2.324 -2.273 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.240 2.396 -0.123 1.00 0.00 H new ATOM 1502 N GLN A 94 10.045 0.997 -1.930 1.00 0.00 N ATOM 1503 CA GLN A 94 10.053 -0.042 -2.954 1.00 0.00 C ATOM 1504 C GLN A 94 10.381 -1.405 -2.342 1.00 0.00 C ATOM 1505 O GLN A 94 9.725 -2.406 -2.640 1.00 0.00 O ATOM 1506 CB GLN A 94 11.080 0.305 -4.037 1.00 0.00 C ATOM 1507 CG GLN A 94 11.142 -0.698 -5.180 1.00 0.00 C ATOM 1508 CD GLN A 94 12.257 -0.390 -6.162 1.00 0.00 C ATOM 1509 OE1 GLN A 94 13.286 0.171 -5.790 1.00 0.00 O ATOM 1510 NE2 GLN A 94 12.065 -0.757 -7.415 1.00 0.00 N ATOM 0 H GLN A 94 10.722 1.743 -2.088 1.00 0.00 H new ATOM 0 HA GLN A 94 9.060 -0.096 -3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 94 10.845 1.289 -4.444 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.066 0.377 -3.578 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.286 -1.699 -4.774 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.188 -0.703 -5.708 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.197 -1.220 -7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.785 -0.577 -8.115 1.00 0.00 H new ATOM 1519 N GLU A 95 11.383 -1.423 -1.468 1.00 0.00 N ATOM 1520 CA GLU A 95 11.845 -2.654 -0.835 1.00 0.00 C ATOM 1521 C GLU A 95 10.819 -3.151 0.178 1.00 0.00 C ATOM 1522 O GLU A 95 10.623 -4.355 0.341 1.00 0.00 O ATOM 1523 CB GLU A 95 13.188 -2.411 -0.141 1.00 0.00 C ATOM 1524 CG GLU A 95 14.234 -1.790 -1.053 1.00 0.00 C ATOM 1525 CD GLU A 95 15.523 -1.456 -0.329 1.00 0.00 C ATOM 1526 OE1 GLU A 95 15.567 -0.419 0.366 1.00 0.00 O ATOM 1527 OE2 GLU A 95 16.500 -2.225 -0.456 1.00 0.00 O ATOM 0 H GLU A 95 11.895 -0.589 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 95 11.971 -3.415 -1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.032 -1.759 0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.567 -3.358 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.450 -2.477 -1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.828 -0.882 -1.499 1.00 0.00 H new ATOM 1534 N TYR A 96 10.172 -2.203 0.848 1.00 0.00 N ATOM 1535 CA TYR A 96 9.120 -2.501 1.815 1.00 0.00 C ATOM 1536 C TYR A 96 8.010 -3.322 1.156 1.00 0.00 C ATOM 1537 O TYR A 96 7.615 -4.373 1.662 1.00 0.00 O ATOM 1538 CB TYR A 96 8.570 -1.182 2.377 1.00 0.00 C ATOM 1539 CG TYR A 96 7.547 -1.321 3.485 1.00 0.00 C ATOM 1540 CD1 TYR A 96 7.803 -2.093 4.612 1.00 0.00 C ATOM 1541 CD2 TYR A 96 6.327 -0.657 3.408 1.00 0.00 C ATOM 1542 CE1 TYR A 96 6.871 -2.203 5.627 1.00 0.00 C ATOM 1543 CE2 TYR A 96 5.393 -0.757 4.419 1.00 0.00 C ATOM 1544 CZ TYR A 96 5.668 -1.530 5.527 1.00 0.00 C ATOM 1545 OH TYR A 96 4.735 -1.628 6.535 1.00 0.00 O ATOM 0 H TYR A 96 10.362 -1.207 0.736 1.00 0.00 H new ATOM 0 HA TYR A 96 9.529 -3.094 2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 96 9.406 -0.590 2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.120 -0.619 1.560 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.745 -2.615 4.696 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.107 -0.052 2.541 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.082 -2.812 6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.452 -0.233 4.343 1.00 0.00 H new ATOM 0 HH TYR A 96 5.191 -1.769 7.391 1.00 0.00 H new ATOM 1555 N ARG A 97 7.538 -2.847 0.007 1.00 0.00 N ATOM 1556 CA ARG A 97 6.495 -3.541 -0.745 1.00 0.00 C ATOM 1557 C ARG A 97 6.952 -4.940 -1.145 1.00 0.00 C ATOM 1558 O ARG A 97 6.186 -5.899 -1.063 1.00 0.00 O ATOM 1559 CB ARG A 97 6.137 -2.766 -2.009 1.00 0.00 C ATOM 1560 CG ARG A 97 5.715 -1.327 -1.769 1.00 0.00 C ATOM 1561 CD ARG A 97 5.530 -0.594 -3.089 1.00 0.00 C ATOM 1562 NE ARG A 97 6.698 -0.758 -3.957 1.00 0.00 N ATOM 1563 CZ ARG A 97 6.766 -0.324 -5.217 1.00 0.00 C ATOM 1564 NH1 ARG A 97 5.756 0.347 -5.753 1.00 0.00 N ATOM 1565 NH2 ARG A 97 7.855 -0.559 -5.939 1.00 0.00 N ATOM 0 H ARG A 97 7.862 -1.982 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 97 5.621 -3.615 -0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.997 -2.772 -2.679 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.329 -3.287 -2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.784 -1.305 -1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.467 -0.818 -1.167 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.642 -0.972 -3.596 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.362 0.466 -2.898 1.00 0.00 H new ATOM 0 HE ARG A 97 7.513 -1.236 -3.573 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.919 0.535 -5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.816 0.675 -6.717 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.637 -1.070 -5.530 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.909 -0.228 -6.902 1.00 0.00 H new ATOM 1579 N ARG A 98 8.208 -5.039 -1.582 1.00 0.00 N ATOM 1580 CA ARG A 98 8.773 -6.298 -2.067 1.00 0.00 C ATOM 1581 C ARG A 98 8.617 -7.422 -1.053 1.00 0.00 C ATOM 1582 O ARG A 98 8.005 -8.449 -1.343 1.00 0.00 O ATOM 1583 CB ARG A 98 10.257 -6.128 -2.403 1.00 0.00 C ATOM 1584 CG ARG A 98 10.518 -5.479 -3.750 1.00 0.00 C ATOM 1585 CD ARG A 98 12.001 -5.205 -3.952 1.00 0.00 C ATOM 1586 NE ARG A 98 12.833 -6.380 -3.676 1.00 0.00 N ATOM 1587 CZ ARG A 98 14.161 -6.337 -3.529 1.00 0.00 C ATOM 1588 NH1 ARG A 98 14.814 -5.188 -3.665 1.00 0.00 N ATOM 1589 NH2 ARG A 98 14.838 -7.443 -3.251 1.00 0.00 N ATOM 0 H ARG A 98 8.859 -4.254 -1.610 1.00 0.00 H new ATOM 0 HA ARG A 98 8.218 -6.567 -2.966 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.728 -5.527 -1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.737 -7.106 -2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.154 -6.129 -4.546 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.960 -4.545 -3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.170 -4.877 -4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.308 -4.386 -3.301 1.00 0.00 H new ATOM 0 HE ARG A 98 12.371 -7.285 -3.591 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.302 -4.333 -3.883 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.827 -5.161 -3.552 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.345 -8.330 -3.149 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.851 -7.406 -3.140 1.00 0.00 H new ATOM 1603 N ASN A 99 9.155 -7.220 0.137 1.00 0.00 N ATOM 1604 CA ASN A 99 9.200 -8.284 1.132 1.00 0.00 C ATOM 1605 C ASN A 99 7.827 -8.562 1.731 1.00 0.00 C ATOM 1606 O ASN A 99 7.573 -9.659 2.227 1.00 0.00 O ATOM 1607 CB ASN A 99 10.217 -7.966 2.227 1.00 0.00 C ATOM 1608 CG ASN A 99 11.644 -8.031 1.716 1.00 0.00 C ATOM 1609 OD1 ASN A 99 11.941 -8.747 0.756 1.00 0.00 O ATOM 1610 ND2 ASN A 99 12.544 -7.307 2.360 1.00 0.00 N ATOM 0 H ASN A 99 9.565 -6.336 0.439 1.00 0.00 H new ATOM 0 HA ASN A 99 9.520 -9.191 0.619 1.00 0.00 H new ATOM 0 HB2 ASN A 99 10.020 -6.971 2.626 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.095 -8.670 3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.521 -7.329 2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.261 -6.727 3.150 1.00 0.00 H new ATOM 1617 N LEU A 100 6.935 -7.579 1.681 1.00 0.00 N ATOM 1618 CA LEU A 100 5.557 -7.798 2.094 1.00 0.00 C ATOM 1619 C LEU A 100 4.853 -8.703 1.092 1.00 0.00 C ATOM 1620 O LEU A 100 4.103 -9.604 1.467 1.00 0.00 O ATOM 1621 CB LEU A 100 4.811 -6.470 2.229 1.00 0.00 C ATOM 1622 CG LEU A 100 5.246 -5.611 3.415 1.00 0.00 C ATOM 1623 CD1 LEU A 100 4.574 -4.254 3.363 1.00 0.00 C ATOM 1624 CD2 LEU A 100 4.916 -6.312 4.722 1.00 0.00 C ATOM 0 H LEU A 100 7.140 -6.632 1.362 1.00 0.00 H new ATOM 0 HA LEU A 100 5.561 -8.283 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.949 -5.896 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.744 -6.676 2.319 1.00 0.00 H new ATOM 0 HG LEU A 100 6.325 -5.465 3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.896 -3.656 4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.850 -3.746 2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.492 -4.382 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.231 -5.689 5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.841 -6.483 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.438 -7.268 4.764 1.00 0.00 H new ATOM 1636 N ALA A 101 5.121 -8.472 -0.183 1.00 0.00 N ATOM 1637 CA ALA A 101 4.565 -9.296 -1.243 1.00 0.00 C ATOM 1638 C ALA A 101 5.160 -10.702 -1.201 1.00 0.00 C ATOM 1639 O ALA A 101 4.483 -11.686 -1.509 1.00 0.00 O ATOM 1640 CB ALA A 101 4.815 -8.645 -2.592 1.00 0.00 C ATOM 0 H ALA A 101 5.723 -7.716 -0.510 1.00 0.00 H new ATOM 0 HA ALA A 101 3.489 -9.382 -1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.395 -9.269 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.342 -7.663 -2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.888 -8.534 -2.749 1.00 0.00 H new ATOM 1646 N LYS A 102 6.426 -10.790 -0.800 1.00 0.00 N ATOM 1647 CA LYS A 102 7.108 -12.073 -0.662 1.00 0.00 C ATOM 1648 C LYS A 102 6.438 -12.939 0.402 1.00 0.00 C ATOM 1649 O LYS A 102 6.570 -14.162 0.397 1.00 0.00 O ATOM 1650 CB LYS A 102 8.580 -11.869 -0.291 1.00 0.00 C ATOM 1651 CG LYS A 102 9.412 -11.200 -1.373 1.00 0.00 C ATOM 1652 CD LYS A 102 9.584 -12.091 -2.591 1.00 0.00 C ATOM 1653 CE LYS A 102 10.480 -11.437 -3.631 1.00 0.00 C ATOM 1654 NZ LYS A 102 10.742 -12.339 -4.781 1.00 0.00 N ATOM 0 H LYS A 102 7.003 -9.982 -0.564 1.00 0.00 H new ATOM 0 HA LYS A 102 7.045 -12.580 -1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.634 -11.267 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.021 -12.838 -0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.935 -10.266 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.392 -10.943 -0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.012 -13.046 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.609 -12.303 -3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.012 -10.520 -3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.426 -11.153 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.356 -11.857 -5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.212 -13.204 -4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.842 -12.589 -5.238 1.00 0.00 H new ATOM 1668 N ALA A 103 5.721 -12.295 1.314 1.00 0.00 N ATOM 1669 CA ALA A 103 5.041 -12.999 2.391 1.00 0.00 C ATOM 1670 C ALA A 103 3.765 -13.664 1.893 1.00 0.00 C ATOM 1671 O ALA A 103 3.167 -14.488 2.586 1.00 0.00 O ATOM 1672 CB ALA A 103 4.725 -12.038 3.524 1.00 0.00 C ATOM 0 H ALA A 103 5.596 -11.283 1.328 1.00 0.00 H new ATOM 0 HA ALA A 103 5.706 -13.780 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.216 -12.574 4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.651 -11.609 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.080 -11.240 3.155 1.00 0.00 H new ATOM 1678 N GLY A 104 3.361 -13.310 0.682 1.00 0.00 N ATOM 1679 CA GLY A 104 2.147 -13.852 0.118 1.00 0.00 C ATOM 1680 C GLY A 104 1.055 -12.813 0.036 1.00 0.00 C ATOM 1681 O GLY A 104 -0.072 -13.112 -0.367 1.00 0.00 O ATOM 0 H GLY A 104 3.857 -12.654 0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.352 -14.243 -0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.806 -14.690 0.726 1.00 0.00 H new ATOM 1685 N VAL A 105 1.387 -11.591 0.419 1.00 0.00 N ATOM 1686 CA VAL A 105 0.434 -10.497 0.379 1.00 0.00 C ATOM 1687 C VAL A 105 0.319 -9.945 -1.036 1.00 0.00 C ATOM 1688 O VAL A 105 1.305 -9.514 -1.630 1.00 0.00 O ATOM 1689 CB VAL A 105 0.831 -9.360 1.344 1.00 0.00 C ATOM 1690 CG1 VAL A 105 -0.214 -8.254 1.335 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.029 -9.902 2.752 1.00 0.00 C ATOM 0 H VAL A 105 2.312 -11.333 0.762 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.530 -10.894 0.697 1.00 0.00 H new ATOM 0 HB VAL A 105 1.775 -8.935 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.087 -7.463 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.303 -7.845 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.176 -8.660 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.309 -9.087 3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.101 -10.355 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.819 -10.653 2.745 1.00 0.00 H new ATOM 1701 N PHE A 106 -0.888 -9.979 -1.570 1.00 0.00 N ATOM 1702 CA PHE A 106 -1.146 -9.477 -2.908 1.00 0.00 C ATOM 1703 C PHE A 106 -2.133 -8.321 -2.846 1.00 0.00 C ATOM 1704 O PHE A 106 -2.130 -7.427 -3.699 1.00 0.00 O ATOM 1705 CB PHE A 106 -1.701 -10.606 -3.785 1.00 0.00 C ATOM 1706 CG PHE A 106 -1.956 -10.218 -5.217 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -0.952 -10.326 -6.163 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -3.197 -9.748 -5.618 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -1.179 -9.976 -7.480 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -3.430 -9.396 -6.933 1.00 0.00 C ATOM 1711 CZ PHE A 106 -2.418 -9.509 -7.865 1.00 0.00 C ATOM 0 H PHE A 106 -1.710 -10.351 -1.095 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.214 -9.117 -3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -1.000 -11.440 -3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.633 -10.964 -3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.022 -10.689 -5.868 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -3.992 -9.656 -4.893 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.386 -10.068 -8.208 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -4.402 -9.033 -7.232 1.00 0.00 H new ATOM 0 HZ PHE A 106 -2.596 -9.232 -8.894 1.00 0.00 H new ATOM 1721 N ARG A 107 -2.970 -8.335 -1.820 1.00 0.00 N ATOM 1722 CA ARG A 107 -4.006 -7.333 -1.671 1.00 0.00 C ATOM 1723 C ARG A 107 -3.673 -6.396 -0.511 1.00 0.00 C ATOM 1724 O ARG A 107 -3.937 -6.710 0.653 1.00 0.00 O ATOM 1725 CB ARG A 107 -5.355 -8.011 -1.422 1.00 0.00 C ATOM 1726 CG ARG A 107 -6.552 -7.091 -1.590 1.00 0.00 C ATOM 1727 CD ARG A 107 -7.017 -7.045 -3.035 1.00 0.00 C ATOM 1728 NE ARG A 107 -7.654 -8.298 -3.441 1.00 0.00 N ATOM 1729 CZ ARG A 107 -7.256 -9.041 -4.473 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -6.187 -8.693 -5.177 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -7.924 -10.137 -4.803 1.00 0.00 N ATOM 0 H ARG A 107 -2.949 -9.034 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.064 -6.749 -2.589 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.458 -8.853 -2.107 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.363 -8.419 -0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.368 -7.434 -0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.290 -6.086 -1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.719 -6.222 -3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.165 -6.843 -3.685 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.454 -8.624 -2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.665 -7.853 -4.929 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.887 -9.266 -5.966 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.746 -10.414 -4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.616 -10.703 -5.594 1.00 0.00 H new ATOM 1745 N TRP A 108 -3.057 -5.266 -0.833 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.771 -4.233 0.151 1.00 0.00 C ATOM 1747 C TRP A 108 -3.962 -3.285 0.225 1.00 0.00 C ATOM 1748 O TRP A 108 -4.170 -2.461 -0.661 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.477 -3.495 -0.249 1.00 0.00 C ATOM 1750 CG TRP A 108 -1.106 -2.298 0.588 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -1.890 -1.224 0.910 1.00 0.00 C ATOM 1752 CD2 TRP A 108 0.180 -2.030 1.160 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -1.180 -0.324 1.661 1.00 0.00 N ATOM 1754 CE2 TRP A 108 0.093 -0.791 1.826 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.393 -2.717 1.177 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 1.172 -0.234 2.502 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 2.462 -2.160 1.848 1.00 0.00 C ATOM 1758 CH2 TRP A 108 2.346 -0.928 2.502 1.00 0.00 C ATOM 0 H TRP A 108 -2.744 -5.042 -1.777 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.616 -4.668 1.138 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.652 -4.207 -0.213 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -1.574 -3.171 -1.285 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.922 -1.103 0.614 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.543 0.552 2.036 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.494 -3.668 0.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 1.084 0.715 3.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.406 -2.684 1.869 1.00 0.00 H new ATOM 0 HH2 TRP A 108 3.203 -0.519 3.017 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.769 -3.429 1.262 1.00 0.00 N ATOM 1770 CA VAL A 109 -5.937 -2.582 1.428 1.00 0.00 C ATOM 1771 C VAL A 109 -5.820 -1.754 2.694 1.00 0.00 C ATOM 1772 O VAL A 109 -5.844 -2.288 3.797 1.00 0.00 O ATOM 1773 CB VAL A 109 -7.246 -3.404 1.484 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.447 -2.488 1.667 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.412 -4.247 0.232 1.00 0.00 C ATOM 0 H VAL A 109 -4.638 -4.122 1.999 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.977 -1.927 0.558 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.185 -4.074 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.358 -3.085 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.341 -1.930 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.504 -1.791 0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.340 -4.815 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.444 -3.597 -0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.571 -4.935 0.142 1.00 0.00 H new ATOM 1785 N THR A 110 -5.671 -0.454 2.539 1.00 0.00 N ATOM 1786 CA THR A 110 -5.624 0.427 3.687 1.00 0.00 C ATOM 1787 C THR A 110 -6.902 1.251 3.766 1.00 0.00 C ATOM 1788 O THR A 110 -7.178 2.076 2.892 1.00 0.00 O ATOM 1789 CB THR A 110 -4.404 1.362 3.641 1.00 0.00 C ATOM 1790 OG1 THR A 110 -3.212 0.588 3.450 1.00 0.00 O ATOM 1791 CG2 THR A 110 -4.290 2.163 4.929 1.00 0.00 C ATOM 0 H THR A 110 -5.581 0.013 1.636 1.00 0.00 H new ATOM 0 HA THR A 110 -5.534 -0.197 4.576 1.00 0.00 H new ATOM 0 HB THR A 110 -4.530 2.056 2.810 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.230 0.173 2.562 1.00 0.00 H new ATOM 0 HG21 THR A 110 -3.420 2.818 4.875 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.189 2.764 5.064 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.179 1.482 5.773 1.00 0.00 H new ATOM 1799 N ASN A 111 -7.687 0.992 4.802 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.914 1.728 5.044 1.00 0.00 C ATOM 1801 C ASN A 111 -8.596 2.945 5.903 1.00 0.00 C ATOM 1802 O ASN A 111 -8.328 2.820 7.098 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.946 0.824 5.740 1.00 0.00 C ATOM 1804 CG ASN A 111 -11.322 1.457 5.852 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -11.463 2.669 6.001 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -12.354 0.631 5.782 1.00 0.00 N ATOM 0 H ASN A 111 -7.490 0.269 5.494 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.341 2.058 4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.029 -0.113 5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -9.586 0.575 6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.304 0.995 5.852 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -12.199 -0.369 5.658 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.600 4.114 5.281 1.00 0.00 N ATOM 1814 CA ILE A 112 -8.222 5.347 5.961 1.00 0.00 C ATOM 1815 C ILE A 112 -9.327 5.790 6.920 1.00 0.00 C ATOM 1816 O ILE A 112 -9.064 6.410 7.949 1.00 0.00 O ATOM 1817 CB ILE A 112 -7.915 6.474 4.941 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -6.783 6.048 3.993 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -7.547 7.770 5.652 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -5.467 5.773 4.693 1.00 0.00 C ATOM 0 H ILE A 112 -8.862 4.237 4.303 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.316 5.150 6.535 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.817 6.651 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -7.091 5.152 3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.631 6.830 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.337 8.543 4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.377 8.087 6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.663 7.608 6.269 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.718 5.478 3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.134 6.674 5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.601 4.969 5.417 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.562 5.427 6.596 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.705 5.796 7.419 1.00 0.00 C ATOM 1834 C HIS A 113 -11.632 5.091 8.769 1.00 0.00 C ATOM 1835 O HIS A 113 -12.045 5.643 9.790 1.00 0.00 O ATOM 1836 CB HIS A 113 -13.017 5.440 6.709 1.00 0.00 C ATOM 1837 CG HIS A 113 -14.230 6.080 7.311 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -15.268 5.361 7.860 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -14.573 7.384 7.435 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -16.195 6.191 8.295 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -15.799 7.424 8.048 1.00 0.00 N ATOM 0 H HIS A 113 -10.797 4.878 5.769 1.00 0.00 H new ATOM 0 HA HIS A 113 -11.679 6.874 7.581 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.944 5.737 5.663 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -13.144 4.358 6.725 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -13.990 8.234 7.112 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -17.122 5.909 8.773 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -16.320 8.271 8.276 1.00 0.00 H new ATOM 1850 N GLU A 114 -11.110 3.870 8.766 1.00 0.00 N ATOM 1851 CA GLU A 114 -10.934 3.109 9.998 1.00 0.00 C ATOM 1852 C GLU A 114 -9.512 3.260 10.528 1.00 0.00 C ATOM 1853 O GLU A 114 -9.211 2.804 11.632 1.00 0.00 O ATOM 1854 CB GLU A 114 -11.221 1.618 9.773 1.00 0.00 C ATOM 1855 CG GLU A 114 -12.590 1.323 9.187 1.00 0.00 C ATOM 1856 CD GLU A 114 -12.896 -0.163 9.145 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -12.242 -0.901 8.372 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -13.802 -0.600 9.884 1.00 0.00 O ATOM 0 H GLU A 114 -10.801 3.385 7.924 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.641 3.506 10.726 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.459 1.210 9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.126 1.095 10.725 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.352 1.831 9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.645 1.731 8.178 1.00 0.00 H new ATOM 1865 N GLN A 115 -8.646 3.903 9.735 1.00 0.00 N ATOM 1866 CA GLN A 115 -7.214 3.970 10.037 1.00 0.00 C ATOM 1867 C GLN A 115 -6.668 2.557 10.210 1.00 0.00 C ATOM 1868 O GLN A 115 -5.873 2.281 11.107 1.00 0.00 O ATOM 1869 CB GLN A 115 -6.956 4.808 11.298 1.00 0.00 C ATOM 1870 CG GLN A 115 -7.198 6.298 11.102 1.00 0.00 C ATOM 1871 CD GLN A 115 -6.178 6.944 10.180 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -4.949 6.450 10.206 1.00 0.00 O flip ATOM 1873 NE2 GLN A 115 -6.486 7.893 9.463 1.00 0.00 N flip ATOM 0 H GLN A 115 -8.915 4.385 8.877 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.700 4.456 9.208 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -7.598 4.447 12.101 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -5.926 4.655 11.621 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.197 6.448 10.693 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -7.172 6.796 12.071 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -7.443 8.247 9.469 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -5.785 8.327 8.862 1.00 0.00 H new ATOM 1882 N LYS A 116 -7.081 1.675 9.313 1.00 0.00 N ATOM 1883 CA LYS A 116 -6.853 0.250 9.477 1.00 0.00 C ATOM 1884 C LYS A 116 -6.275 -0.353 8.200 1.00 0.00 C ATOM 1885 O LYS A 116 -6.875 -0.262 7.131 1.00 0.00 O ATOM 1886 CB LYS A 116 -8.189 -0.400 9.831 1.00 0.00 C ATOM 1887 CG LYS A 116 -8.105 -1.773 10.465 1.00 0.00 C ATOM 1888 CD LYS A 116 -9.487 -2.206 10.915 1.00 0.00 C ATOM 1889 CE LYS A 116 -9.502 -3.612 11.476 1.00 0.00 C ATOM 1890 NZ LYS A 116 -10.889 -4.087 11.726 1.00 0.00 N ATOM 0 H LYS A 116 -7.579 1.925 8.459 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.129 0.072 10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -8.725 0.262 10.511 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -8.787 -0.476 8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.701 -2.491 9.751 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.424 -1.752 11.316 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.852 -1.513 11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -10.175 -2.148 10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.005 -4.288 10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -8.934 -3.639 12.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -10.865 -5.076 12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -11.331 -3.497 12.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -11.442 -4.020 10.848 1.00 0.00 H new ATOM 1904 N ARG A 117 -5.102 -0.956 8.313 1.00 0.00 N ATOM 1905 CA ARG A 117 -4.426 -1.543 7.164 1.00 0.00 C ATOM 1906 C ARG A 117 -4.619 -3.057 7.144 1.00 0.00 C ATOM 1907 O ARG A 117 -4.245 -3.756 8.088 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.934 -1.183 7.184 1.00 0.00 C ATOM 1909 CG ARG A 117 -2.153 -1.693 5.980 1.00 0.00 C ATOM 1910 CD ARG A 117 -0.834 -0.944 5.810 1.00 0.00 C ATOM 1911 NE ARG A 117 0.019 -1.019 6.999 1.00 0.00 N ATOM 1912 CZ ARG A 117 1.348 -0.874 6.975 1.00 0.00 C ATOM 1913 NH1 ARG A 117 1.972 -0.658 5.825 1.00 0.00 N ATOM 1914 NH2 ARG A 117 2.051 -0.963 8.096 1.00 0.00 N ATOM 0 H ARG A 117 -4.595 -1.053 9.193 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.866 -1.134 6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -2.834 -0.099 7.235 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.486 -1.588 8.092 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.955 -2.758 6.098 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.756 -1.579 5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.296 -1.355 4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -1.042 0.102 5.583 1.00 0.00 H new ATOM 0 HE ARG A 117 -0.428 -1.192 7.899 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.438 -0.602 4.958 1.00 0.00 H new ATOM 0 HH12 ARG A 117 2.986 -0.548 5.808 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.578 -1.143 8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 117 3.065 -0.852 8.073 1.00 0.00 H new ATOM 1928 N TYR A 118 -5.218 -3.544 6.067 1.00 0.00 N ATOM 1929 CA TYR A 118 -5.502 -4.963 5.904 1.00 0.00 C ATOM 1930 C TYR A 118 -4.497 -5.612 4.954 1.00 0.00 C ATOM 1931 O TYR A 118 -4.081 -5.005 3.963 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.912 -5.162 5.342 1.00 0.00 C ATOM 1933 CG TYR A 118 -8.036 -4.692 6.240 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -8.412 -3.356 6.284 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -8.737 -5.597 7.027 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -9.450 -2.933 7.090 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -9.781 -5.184 7.831 1.00 0.00 C ATOM 1938 CZ TYR A 118 -10.135 -3.852 7.860 1.00 0.00 C ATOM 1939 OH TYR A 118 -11.173 -3.438 8.667 1.00 0.00 O ATOM 0 H TYR A 118 -5.521 -2.967 5.282 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.426 -5.432 6.885 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.984 -4.635 4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -7.056 -6.222 5.131 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.883 -2.636 5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -8.461 -6.641 7.010 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.725 -1.889 7.118 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -10.318 -5.901 8.434 1.00 0.00 H new ATOM 0 HH TYR A 118 -11.428 -2.523 8.428 1.00 0.00 H new ATOM 1949 N TYR A 119 -4.111 -6.842 5.262 1.00 0.00 N ATOM 1950 CA TYR A 119 -3.237 -7.615 4.393 1.00 0.00 C ATOM 1951 C TYR A 119 -3.950 -8.870 3.911 1.00 0.00 C ATOM 1952 O TYR A 119 -4.250 -9.759 4.711 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.957 -8.019 5.124 1.00 0.00 C ATOM 1954 CG TYR A 119 -1.069 -6.862 5.507 1.00 0.00 C ATOM 1955 CD1 TYR A 119 -1.236 -6.198 6.713 1.00 0.00 C ATOM 1956 CD2 TYR A 119 -0.047 -6.450 4.665 1.00 0.00 C ATOM 1957 CE1 TYR A 119 -0.411 -5.153 7.070 1.00 0.00 C ATOM 1958 CE2 TYR A 119 0.787 -5.410 5.016 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.602 -4.765 6.220 1.00 0.00 C ATOM 1960 OH TYR A 119 1.433 -3.738 6.581 1.00 0.00 O ATOM 0 H TYR A 119 -4.392 -7.328 6.113 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.976 -6.988 3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -2.226 -8.569 6.026 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -1.391 -8.702 4.491 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -2.025 -6.505 7.383 1.00 0.00 H new ATOM 0 HD2 TYR A 119 0.098 -6.952 3.720 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -0.558 -4.642 8.010 1.00 0.00 H new ATOM 0 HE2 TYR A 119 1.581 -5.102 4.351 1.00 0.00 H new ATOM 0 HH TYR A 119 1.424 -3.637 7.556 1.00 0.00 H new ATOM 1970 N TYR A 120 -4.230 -8.931 2.618 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.867 -10.103 2.040 1.00 0.00 C ATOM 1972 C TYR A 120 -3.916 -10.817 1.085 1.00 0.00 C ATOM 1973 O TYR A 120 -3.139 -10.177 0.371 1.00 0.00 O ATOM 1974 CB TYR A 120 -6.151 -9.722 1.292 1.00 0.00 C ATOM 1975 CG TYR A 120 -7.218 -9.089 2.157 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -8.136 -9.868 2.847 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -7.314 -7.708 2.271 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -9.118 -9.291 3.629 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -8.293 -7.124 3.052 1.00 0.00 C ATOM 1980 CZ TYR A 120 -9.193 -7.917 3.728 1.00 0.00 C ATOM 1981 OH TYR A 120 -10.166 -7.337 4.510 1.00 0.00 O ATOM 0 H TYR A 120 -4.027 -8.186 1.952 1.00 0.00 H new ATOM 0 HA TYR A 120 -5.124 -10.774 2.860 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.896 -9.031 0.488 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.563 -10.617 0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -8.082 -10.944 2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -6.612 -7.081 1.741 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -9.824 -9.913 4.160 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -8.352 -6.049 3.132 1.00 0.00 H new ATOM 0 HH TYR A 120 -9.744 -6.835 5.238 1.00 0.00 H new ATOM 1991 N THR A 121 -3.975 -12.138 1.086 1.00 0.00 N ATOM 1992 CA THR A 121 -3.190 -12.942 0.156 1.00 0.00 C ATOM 1993 C THR A 121 -3.756 -12.824 -1.268 1.00 0.00 C ATOM 1994 O THR A 121 -4.731 -12.107 -1.495 1.00 0.00 O ATOM 1995 CB THR A 121 -3.146 -14.425 0.597 1.00 0.00 C ATOM 1996 OG1 THR A 121 -2.230 -15.164 -0.219 1.00 0.00 O ATOM 1997 CG2 THR A 121 -4.522 -15.069 0.514 1.00 0.00 C ATOM 0 H THR A 121 -4.560 -12.681 1.722 1.00 0.00 H new ATOM 0 HA THR A 121 -2.170 -12.558 0.161 1.00 0.00 H new ATOM 0 HB THR A 121 -2.812 -14.447 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 121 -1.434 -14.619 -0.394 1.00 0.00 H new ATOM 0 HG21 THR A 121 -4.456 -16.110 0.830 1.00 0.00 H new ATOM 0 HG22 THR A 121 -5.214 -14.535 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.883 -15.024 -0.513 1.00 0.00 H new ATOM 2005 N PHE A 122 -3.144 -13.526 -2.217 1.00 0.00 N ATOM 2006 CA PHE A 122 -3.531 -13.441 -3.628 1.00 0.00 C ATOM 2007 C PHE A 122 -4.985 -13.863 -3.861 1.00 0.00 C ATOM 2008 O PHE A 122 -5.641 -13.368 -4.777 1.00 0.00 O ATOM 2009 CB PHE A 122 -2.588 -14.290 -4.492 1.00 0.00 C ATOM 2010 CG PHE A 122 -2.427 -15.711 -4.015 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -3.295 -16.704 -4.440 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -1.409 -16.046 -3.139 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -3.148 -18.005 -3.999 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -1.259 -17.344 -2.694 1.00 0.00 C ATOM 2015 CZ PHE A 122 -2.130 -18.325 -3.124 1.00 0.00 C ATOM 0 H PHE A 122 -2.371 -14.166 -2.035 1.00 0.00 H new ATOM 0 HA PHE A 122 -3.447 -12.394 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -2.963 -14.302 -5.515 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -1.608 -13.813 -4.517 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.095 -16.458 -5.123 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -0.724 -15.283 -2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -3.829 -18.771 -4.339 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -0.461 -17.592 -2.010 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.015 -19.341 -2.776 1.00 0.00 H new ATOM 2025 N ASP A 123 -5.487 -14.766 -3.024 1.00 0.00 N ATOM 2026 CA ASP A 123 -6.869 -15.237 -3.141 1.00 0.00 C ATOM 2027 C ASP A 123 -7.809 -14.325 -2.353 1.00 0.00 C ATOM 2028 O ASP A 123 -9.020 -14.548 -2.287 1.00 0.00 O ATOM 2029 CB ASP A 123 -6.977 -16.681 -2.635 1.00 0.00 C ATOM 2030 CG ASP A 123 -8.344 -17.299 -2.882 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -8.642 -17.655 -4.045 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -9.116 -17.453 -1.918 1.00 0.00 O ATOM 0 H ASP A 123 -4.961 -15.187 -2.258 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.162 -15.211 -4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.216 -17.289 -3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -6.763 -16.702 -1.566 1.00 0.00 H new ATOM 2037 N ASN A 124 -7.225 -13.277 -1.783 1.00 0.00 N ATOM 2038 CA ASN A 124 -7.936 -12.319 -0.941 1.00 0.00 C ATOM 2039 C ASN A 124 -8.415 -12.988 0.343 1.00 0.00 C ATOM 2040 O ASN A 124 -9.601 -13.269 0.520 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.108 -11.674 -1.686 1.00 0.00 C ATOM 2042 CG ASN A 124 -9.634 -10.434 -0.984 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -9.179 -9.320 -1.247 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -10.591 -10.613 -0.090 1.00 0.00 N ATOM 0 H ASN A 124 -6.233 -13.065 -1.893 1.00 0.00 H new ATOM 0 HA ASN A 124 -7.237 -11.524 -0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -8.791 -11.409 -2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -9.915 -12.400 -1.786 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -10.979 -9.813 0.409 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -10.942 -11.552 0.100 1.00 0.00 H new ATOM 2051 N SER A 125 -7.467 -13.282 1.212 1.00 0.00 N ATOM 2052 CA SER A 125 -7.757 -13.839 2.522 1.00 0.00 C ATOM 2053 C SER A 125 -6.982 -13.055 3.570 1.00 0.00 C ATOM 2054 O SER A 125 -5.828 -12.692 3.336 1.00 0.00 O ATOM 2055 CB SER A 125 -7.376 -15.323 2.565 1.00 0.00 C ATOM 2056 OG SER A 125 -7.947 -16.025 1.473 1.00 0.00 O ATOM 0 H SER A 125 -6.473 -13.142 1.031 1.00 0.00 H new ATOM 0 HA SER A 125 -8.825 -13.762 2.728 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.291 -15.425 2.540 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.716 -15.763 3.503 1.00 0.00 H new ATOM 0 HG SER A 125 -7.689 -16.969 1.520 1.00 0.00 H new ATOM 2062 N LEU A 126 -7.612 -12.782 4.702 1.00 0.00 N ATOM 2063 CA LEU A 126 -7.021 -11.914 5.710 1.00 0.00 C ATOM 2064 C LEU A 126 -5.847 -12.594 6.407 1.00 0.00 C ATOM 2065 O LEU A 126 -6.012 -13.602 7.093 1.00 0.00 O ATOM 2066 CB LEU A 126 -8.074 -11.494 6.738 1.00 0.00 C ATOM 2067 CG LEU A 126 -7.631 -10.394 7.701 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -7.312 -9.115 6.938 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -8.708 -10.142 8.745 1.00 0.00 C ATOM 0 H LEU A 126 -8.532 -13.148 4.946 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.645 -11.024 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.964 -11.155 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.363 -12.370 7.319 1.00 0.00 H new ATOM 0 HG LEU A 126 -6.726 -10.722 8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.998 -8.342 7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.509 -9.307 6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.200 -8.780 6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.379 -9.356 9.425 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -9.629 -9.832 8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.889 -11.057 9.309 1.00 0.00 H new ATOM 2081 N LEU A 127 -4.662 -12.033 6.215 1.00 0.00 N ATOM 2082 CA LEU A 127 -3.455 -12.552 6.843 1.00 0.00 C ATOM 2083 C LEU A 127 -3.072 -11.710 8.049 1.00 0.00 C ATOM 2084 O LEU A 127 -2.780 -12.234 9.123 1.00 0.00 O ATOM 2085 CB LEU A 127 -2.298 -12.576 5.839 1.00 0.00 C ATOM 2086 CG LEU A 127 -2.473 -13.543 4.670 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -1.303 -13.429 3.702 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -2.607 -14.969 5.183 1.00 0.00 C ATOM 0 H LEU A 127 -4.510 -11.214 5.626 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.658 -13.570 7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.162 -11.570 5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.382 -12.835 6.370 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.385 -13.280 4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.445 -14.125 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.249 -12.412 3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.376 -13.668 4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.731 -15.649 4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.710 -15.241 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.476 -15.040 5.837 1.00 0.00 H new ATOM 2100 N PHE A 128 -3.086 -10.396 7.872 1.00 0.00 N ATOM 2101 CA PHE A 128 -2.663 -9.482 8.922 1.00 0.00 C ATOM 2102 C PHE A 128 -3.560 -8.248 8.920 1.00 0.00 C ATOM 2103 O PHE A 128 -4.087 -7.861 7.874 1.00 0.00 O ATOM 2104 CB PHE A 128 -1.196 -9.086 8.698 1.00 0.00 C ATOM 2105 CG PHE A 128 -0.504 -8.539 9.915 1.00 0.00 C ATOM 2106 CD1 PHE A 128 -0.526 -7.181 10.196 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.176 -9.386 10.772 1.00 0.00 C ATOM 2108 CE1 PHE A 128 0.116 -6.681 11.311 1.00 0.00 C ATOM 2109 CE2 PHE A 128 0.820 -8.891 11.889 1.00 0.00 C ATOM 2110 CZ PHE A 128 0.790 -7.537 12.158 1.00 0.00 C ATOM 0 H PHE A 128 -3.386 -9.940 7.010 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.748 -9.972 9.892 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -0.647 -9.959 8.346 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -1.152 -8.340 7.905 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.051 -6.507 9.535 1.00 0.00 H new ATOM 0 HD2 PHE A 128 0.204 -10.446 10.565 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.091 -5.622 11.520 1.00 0.00 H new ATOM 0 HE2 PHE A 128 1.346 -9.562 12.551 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.294 -7.148 13.031 1.00 0.00 H new ATOM 2120 N THR A 129 -3.766 -7.653 10.080 1.00 0.00 N ATOM 2121 CA THR A 129 -4.560 -6.439 10.178 1.00 0.00 C ATOM 2122 C THR A 129 -3.999 -5.528 11.260 1.00 0.00 C ATOM 2123 O THR A 129 -3.965 -5.894 12.433 1.00 0.00 O ATOM 2124 CB THR A 129 -6.031 -6.754 10.499 1.00 0.00 C ATOM 2125 OG1 THR A 129 -6.499 -7.810 9.656 1.00 0.00 O ATOM 2126 CG2 THR A 129 -6.897 -5.523 10.297 1.00 0.00 C ATOM 0 H THR A 129 -3.395 -7.989 10.969 1.00 0.00 H new ATOM 0 HA THR A 129 -4.513 -5.939 9.211 1.00 0.00 H new ATOM 0 HB THR A 129 -6.097 -7.064 11.542 1.00 0.00 H new ATOM 0 HG1 THR A 129 -6.335 -8.673 10.091 1.00 0.00 H new ATOM 0 HG21 THR A 129 -7.934 -5.766 10.529 1.00 0.00 H new ATOM 0 HG22 THR A 129 -6.555 -4.725 10.956 1.00 0.00 H new ATOM 0 HG23 THR A 129 -6.825 -5.193 9.261 1.00 0.00 H new ATOM 2134 N GLU A 130 -3.562 -4.346 10.867 1.00 0.00 N ATOM 2135 CA GLU A 130 -2.972 -3.406 11.805 1.00 0.00 C ATOM 2136 C GLU A 130 -3.572 -2.020 11.633 1.00 0.00 C ATOM 2137 O GLU A 130 -3.741 -1.543 10.514 1.00 0.00 O ATOM 2138 CB GLU A 130 -1.457 -3.343 11.603 1.00 0.00 C ATOM 2139 CG GLU A 130 -1.050 -3.092 10.159 1.00 0.00 C ATOM 2140 CD GLU A 130 0.429 -2.820 10.005 1.00 0.00 C ATOM 2141 OE1 GLU A 130 0.859 -1.690 10.316 1.00 0.00 O ATOM 2142 OE2 GLU A 130 1.165 -3.719 9.551 1.00 0.00 O ATOM 0 H GLU A 130 -3.604 -4.013 9.904 1.00 0.00 H new ATOM 0 HA GLU A 130 -3.187 -3.753 12.816 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -1.047 -2.552 12.231 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -1.014 -4.280 11.940 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.320 -3.958 9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.613 -2.244 9.770 1.00 0.00 H new ATOM 2149 N SER A 131 -3.916 -1.383 12.737 1.00 0.00 N ATOM 2150 CA SER A 131 -4.362 -0.003 12.697 1.00 0.00 C ATOM 2151 C SER A 131 -3.152 0.916 12.603 1.00 0.00 C ATOM 2152 O SER A 131 -2.212 0.807 13.395 1.00 0.00 O ATOM 2153 CB SER A 131 -5.207 0.321 13.926 1.00 0.00 C ATOM 2154 OG SER A 131 -6.385 -0.474 13.952 1.00 0.00 O ATOM 0 H SER A 131 -3.895 -1.797 13.669 1.00 0.00 H new ATOM 0 HA SER A 131 -4.988 0.151 11.818 1.00 0.00 H new ATOM 0 HB2 SER A 131 -4.624 0.145 14.830 1.00 0.00 H new ATOM 0 HB3 SER A 131 -5.476 1.377 13.920 1.00 0.00 H new ATOM 0 HG SER A 131 -6.912 -0.252 14.748 1.00 0.00 H new ATOM 2160 N ILE A 132 -3.169 1.803 11.623 1.00 0.00 N ATOM 2161 CA ILE A 132 -2.024 2.653 11.355 1.00 0.00 C ATOM 2162 C ILE A 132 -2.001 3.867 12.275 1.00 0.00 C ATOM 2163 O ILE A 132 -2.671 4.873 12.027 1.00 0.00 O ATOM 2164 CB ILE A 132 -1.969 3.098 9.875 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -3.338 3.598 9.400 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -1.486 1.946 8.999 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -3.341 4.145 7.990 1.00 0.00 C ATOM 0 H ILE A 132 -3.963 1.953 11.001 1.00 0.00 H new ATOM 0 HA ILE A 132 -1.136 2.053 11.557 1.00 0.00 H new ATOM 0 HB ILE A 132 -1.263 3.924 9.791 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -4.054 2.778 9.462 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -3.685 4.376 10.081 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -1.451 2.270 7.959 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -0.490 1.640 9.318 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -2.172 1.104 9.094 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -4.346 4.477 7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -2.652 4.987 7.925 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -3.027 3.365 7.296 1.00 0.00 H new ATOM 2179 N GLN A 133 -1.239 3.728 13.360 1.00 0.00 N ATOM 2180 CA GLN A 133 -1.023 4.793 14.333 1.00 0.00 C ATOM 2181 C GLN A 133 -2.293 5.068 15.141 1.00 0.00 C ATOM 2182 O GLN A 133 -3.365 4.522 14.865 1.00 0.00 O ATOM 2183 CB GLN A 133 -0.521 6.066 13.630 1.00 0.00 C ATOM 2184 CG GLN A 133 0.570 6.813 14.389 1.00 0.00 C ATOM 2185 CD GLN A 133 0.061 8.040 15.122 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -0.346 7.968 16.285 1.00 0.00 O ATOM 2187 NE2 GLN A 133 0.089 9.179 14.447 1.00 0.00 N ATOM 0 H GLN A 133 -0.750 2.862 13.588 1.00 0.00 H new ATOM 0 HA GLN A 133 -0.255 4.467 15.035 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -0.142 5.797 12.644 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -1.365 6.738 13.475 1.00 0.00 H new ATOM 0 HG2 GLN A 133 1.032 6.135 15.107 1.00 0.00 H new ATOM 0 HG3 GLN A 133 1.349 7.114 13.688 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.433 9.195 13.487 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.234 10.041 14.887 1.00 0.00 H new TER 2196 GLN A 133