USER MOD reduce.3.24.130724 H: found=0, std=0, add=1205, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1208 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 135 LYS NZ :NH3+ -118:sc= 0.976 (180deg=0) USER MOD Set 1.2: A 148 SER OG : rot -170:sc= 0.779 USER MOD Set 2.1: A 116 HIS : no HD1:sc= 0.927 K(o=2.2,f=-7.6!) USER MOD Set 2.2: A 121 TYR OH : rot -29:sc= 1.29 USER MOD Set 3.1: A 115 THR OG1 : rot -121:sc= 0.116 USER MOD Set 3.2: A 120 ASN :FLIP amide:sc= -2.31! C(o=-6.6!,f=-2.2!) USER MOD Set 4.1: A 82 THR OG1 : rot 180:sc= -3.8! USER MOD Set 4.2: A 108 ASN : amide:sc= -0.888 K(o=-4.7,f=-5.3) USER MOD Set 5.1: A 25 ASN : amide:sc= -4.18! C(o=-4.7!,f=-13!) USER MOD Set 5.2: A 29 ASN : amide:sc= 0.189 K(o=-4.7,f=-6.2) USER MOD Set 5.3: A 31 SER OG : rot -145:sc= -1.05! USER MOD Set 5.4: A 153 GLN : amide:sc= 0.382 K(o=-4.7,f=-6) USER MOD Set 6.1: A 13 ASN : amide:sc= -2.8! C(o=-2.2!,f=-5.5!) USER MOD Set 6.2: A 61 SER OG : rot 180:sc= 0.604 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= -0.048 (180deg=-0.375) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 70:sc= 1.16 USER MOD Single : A 30 GLN : amide:sc= -1.76! C(o=-1.8!,f=-8.9!) USER MOD Single : A 36 ASN : amide:sc= -0.0888 X(o=-0.089,f=-0.089) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0619 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.76 K(o=-0.76,f=-4.7!) USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= 0.972 (180deg=0.754) USER MOD Single : A 56 MET CE :methyl -130:sc= -0.58 (180deg=-1.29) USER MOD Single : A 59 TYR OH : rot -18:sc= -2.97! USER MOD Single : A 60 LYS NZ :NH3+ 138:sc= -0.128 (180deg=-0.641) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.0368 (180deg=-0.304) USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.033) USER MOD Single : A 69 THR OG1 : rot 97:sc= 0.858 USER MOD Single : A 75 SER OG : rot 151:sc= 0.145 USER MOD Single : A 76 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0333) USER MOD Single : A 77 THR OG1 : rot -140:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.479 K(o=0.48,f=-10!) USER MOD Single : A 80 TYR OH : rot 131:sc= -1.08! USER MOD Single : A 84 GLN : amide:sc= -0.927 K(o=-0.93,f=-3.8!) USER MOD Single : A 88 GLN : amide:sc= -0.986 K(o=-0.99,f=-2.2!) USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= -0.0257 (180deg=-0.292) USER MOD Single : A 95 MET CE :methyl 168:sc= -0.485 (180deg=-1.07) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -124:sc= 1.32 USER MOD Single : A 103 THR OG1 : rot 180:sc=-0.00148 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -17:sc= 0.64 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00203 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -54:sc= 1.24 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc= 0.307 X(o=0.31,f=-0.17) USER MOD Single : A 134 THR OG1 : rot 128:sc= 0.12 USER MOD Single : A 136 GLN :FLIP amide:sc= -0.385 F(o=-5.4!,f=-0.39) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 CYS SG : rot -139:sc= 1.45 USER MOD Single : A 150 THR OG1 : rot 147:sc= -0.163 USER MOD Single : A 157 ASN : amide:sc= -0.968 K(o=-0.97,f=-1.8!) USER MOD Single : A 158 GLN : amide:sc= -0.0426 X(o=-0.043,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 9 25.349 -1.157 -7.435 1.00 4.20 N ATOM 2 CA ASN A 9 25.071 -2.610 -7.356 1.00 4.32 C ATOM 3 C ASN A 9 23.569 -2.842 -7.321 1.00 4.11 C ATOM 4 O ASN A 9 22.785 -1.904 -7.452 1.00 4.02 O ATOM 5 CB ASN A 9 25.686 -3.192 -6.075 1.00 4.41 C ATOM 6 CG ASN A 9 27.150 -2.837 -5.898 1.00 4.99 C ATOM 7 OD1 ASN A 9 27.478 -1.768 -5.387 1.00 5.29 O ATOM 8 ND2 ASN A 9 28.038 -3.733 -6.293 1.00 5.50 N ATOM 0 HA ASN A 9 25.505 -3.098 -8.229 1.00 4.32 H new ATOM 0 HB2 ASN A 9 25.125 -2.830 -5.214 1.00 4.41 H new ATOM 0 HB3 ASN A 9 25.582 -4.277 -6.090 1.00 4.41 H new ATOM 0 HD21 ASN A 9 29.035 -3.549 -6.178 1.00 5.50 H new ATOM 0 HD22 ASN A 9 27.727 -4.609 -6.713 1.00 5.50 H new ATOM 17 N VAL A 10 23.170 -4.090 -7.152 1.00 4.35 N ATOM 18 CA VAL A 10 21.783 -4.417 -6.871 1.00 4.25 C ATOM 19 C VAL A 10 21.617 -4.578 -5.368 1.00 3.43 C ATOM 20 O VAL A 10 22.414 -5.273 -4.735 1.00 3.52 O ATOM 21 CB VAL A 10 21.355 -5.713 -7.589 1.00 5.19 C ATOM 22 CG1 VAL A 10 19.878 -5.996 -7.369 1.00 5.29 C ATOM 23 CG2 VAL A 10 21.669 -5.631 -9.075 1.00 6.05 C ATOM 0 H VAL A 10 23.791 -4.898 -7.205 1.00 4.35 H new ATOM 0 HA VAL A 10 21.148 -3.611 -7.239 1.00 4.25 H new ATOM 0 HB VAL A 10 21.924 -6.539 -7.161 1.00 5.19 H new ATOM 0 HG11 VAL A 10 19.603 -6.915 -7.886 1.00 5.29 H new ATOM 0 HG12 VAL A 10 19.684 -6.108 -6.302 1.00 5.29 H new ATOM 0 HG13 VAL A 10 19.287 -5.168 -7.761 1.00 5.29 H new ATOM 0 HG21 VAL A 10 21.360 -6.555 -9.564 1.00 6.05 H new ATOM 0 HG22 VAL A 10 21.132 -4.790 -9.515 1.00 6.05 H new ATOM 0 HG23 VAL A 10 22.741 -5.489 -9.213 1.00 6.05 H new ATOM 33 N LYS A 11 20.617 -3.942 -4.783 1.00 3.01 N ATOM 34 CA LYS A 11 20.456 -4.011 -3.337 1.00 2.38 C ATOM 35 C LYS A 11 19.372 -5.024 -2.969 1.00 2.30 C ATOM 36 O LYS A 11 18.303 -5.029 -3.547 1.00 2.75 O ATOM 37 CB LYS A 11 20.144 -2.631 -2.751 1.00 2.57 C ATOM 38 CG LYS A 11 20.734 -2.434 -1.365 1.00 3.33 C ATOM 39 CD LYS A 11 22.255 -2.430 -1.421 1.00 4.00 C ATOM 40 CE LYS A 11 22.877 -2.548 -0.041 1.00 4.63 C ATOM 41 NZ LYS A 11 22.570 -3.856 0.590 1.00 5.11 N ATOM 0 H LYS A 11 19.917 -3.383 -5.272 1.00 3.01 H new ATOM 0 HA LYS A 11 21.398 -4.347 -2.903 1.00 2.38 H new ATOM 0 HB2 LYS A 11 20.531 -1.862 -3.419 1.00 2.57 H new ATOM 0 HB3 LYS A 11 19.063 -2.497 -2.703 1.00 2.57 H new ATOM 0 HG2 LYS A 11 20.379 -1.494 -0.944 1.00 3.33 H new ATOM 0 HG3 LYS A 11 20.392 -3.229 -0.703 1.00 3.33 H new ATOM 0 HD2 LYS A 11 22.597 -3.256 -2.044 1.00 4.00 H new ATOM 0 HD3 LYS A 11 22.598 -1.510 -1.895 1.00 4.00 H new ATOM 0 HE2 LYS A 11 23.957 -2.425 -0.117 1.00 4.63 H new ATOM 0 HE3 LYS A 11 22.509 -1.742 0.594 1.00 4.63 H new ATOM 0 HZ1 LYS A 11 23.247 -4.038 1.358 1.00 5.11 H new ATOM 0 HZ2 LYS A 11 21.605 -3.837 0.977 1.00 5.11 H new ATOM 0 HZ3 LYS A 11 22.643 -4.611 -0.122 1.00 5.11 H new ATOM 55 N TYR A 12 19.689 -5.921 -2.048 1.00 2.26 N ATOM 56 CA TYR A 12 18.795 -7.027 -1.675 1.00 2.39 C ATOM 57 C TYR A 12 18.129 -6.804 -0.316 1.00 1.68 C ATOM 58 O TYR A 12 18.823 -6.832 0.698 1.00 2.15 O ATOM 59 CB TYR A 12 19.602 -8.337 -1.625 1.00 3.48 C ATOM 60 CG TYR A 12 20.103 -8.820 -2.972 1.00 4.09 C ATOM 61 CD1 TYR A 12 20.946 -8.029 -3.739 1.00 4.36 C ATOM 62 CD2 TYR A 12 19.753 -10.071 -3.466 1.00 4.67 C ATOM 63 CE1 TYR A 12 21.425 -8.469 -4.957 1.00 5.04 C ATOM 64 CE2 TYR A 12 20.235 -10.521 -4.678 1.00 5.39 C ATOM 65 CZ TYR A 12 20.973 -9.696 -5.463 1.00 5.50 C ATOM 66 OH TYR A 12 21.571 -10.174 -6.614 1.00 6.30 O ATOM 0 H TYR A 12 20.570 -5.910 -1.534 1.00 2.26 H new ATOM 0 HA TYR A 12 18.009 -7.080 -2.428 1.00 2.39 H new ATOM 0 HB2 TYR A 12 20.456 -8.197 -0.963 1.00 3.48 H new ATOM 0 HB3 TYR A 12 18.980 -9.115 -1.183 1.00 3.48 H new ATOM 0 HD1 TYR A 12 21.232 -7.053 -3.377 1.00 4.36 H new ATOM 0 HD2 TYR A 12 19.092 -10.702 -2.891 1.00 4.67 H new ATOM 0 HE1 TYR A 12 22.137 -7.877 -5.512 1.00 5.04 H new ATOM 0 HE2 TYR A 12 20.025 -11.530 -5.002 1.00 5.39 H new ATOM 0 HH TYR A 12 21.168 -11.033 -6.859 1.00 6.30 H new ATOM 76 N ASN A 13 16.807 -6.566 -0.242 1.00 1.23 N ATOM 77 CA ASN A 13 16.191 -6.559 1.066 1.00 1.00 C ATOM 78 C ASN A 13 15.255 -7.735 1.261 1.00 0.86 C ATOM 79 O ASN A 13 14.118 -7.704 0.824 1.00 1.29 O ATOM 80 CB ASN A 13 15.406 -5.256 1.263 1.00 1.76 C ATOM 81 CG ASN A 13 16.280 -4.049 1.521 1.00 2.67 C ATOM 82 OD1 ASN A 13 17.434 -3.994 1.101 1.00 3.27 O ATOM 83 ND2 ASN A 13 15.723 -3.058 2.200 1.00 3.42 N ATOM 0 H ASN A 13 16.187 -6.387 -1.032 1.00 1.23 H new ATOM 0 HA ASN A 13 16.991 -6.637 1.802 1.00 1.00 H new ATOM 0 HB2 ASN A 13 14.800 -5.071 0.376 1.00 1.76 H new ATOM 0 HB3 ASN A 13 14.718 -5.380 2.099 1.00 1.76 H new ATOM 0 HD21 ASN A 13 16.255 -2.209 2.392 1.00 3.42 H new ATOM 0 HD22 ASN A 13 14.762 -3.144 2.531 1.00 3.42 H new ATOM 90 N PHE A 14 15.720 -8.752 1.957 1.00 0.97 N ATOM 91 CA PHE A 14 14.858 -9.747 2.583 1.00 1.06 C ATOM 92 C PHE A 14 14.465 -9.349 4.003 1.00 0.93 C ATOM 93 O PHE A 14 15.342 -9.070 4.823 1.00 1.27 O ATOM 94 CB PHE A 14 15.519 -11.135 2.558 1.00 1.64 C ATOM 95 CG PHE A 14 16.937 -11.171 3.059 1.00 2.26 C ATOM 96 CD1 PHE A 14 17.992 -10.836 2.222 1.00 3.13 C ATOM 97 CD2 PHE A 14 17.217 -11.554 4.360 1.00 2.47 C ATOM 98 CE1 PHE A 14 19.296 -10.880 2.676 1.00 4.16 C ATOM 99 CE2 PHE A 14 18.518 -11.598 4.819 1.00 3.36 C ATOM 100 CZ PHE A 14 19.558 -11.261 3.978 1.00 4.21 C ATOM 0 H PHE A 14 16.715 -8.917 2.108 1.00 0.97 H new ATOM 0 HA PHE A 14 13.939 -9.796 1.999 1.00 1.06 H new ATOM 0 HB2 PHE A 14 14.919 -11.818 3.160 1.00 1.64 H new ATOM 0 HB3 PHE A 14 15.501 -11.512 1.535 1.00 1.64 H new ATOM 0 HD1 PHE A 14 17.791 -10.537 1.204 1.00 3.13 H new ATOM 0 HD2 PHE A 14 16.408 -11.821 5.023 1.00 2.47 H new ATOM 0 HE1 PHE A 14 20.109 -10.617 2.015 1.00 4.16 H new ATOM 0 HE2 PHE A 14 18.722 -11.896 5.837 1.00 3.36 H new ATOM 0 HZ PHE A 14 20.576 -11.295 4.337 1.00 4.21 H new ATOM 110 N MET A 15 13.178 -9.273 4.308 1.00 0.73 N ATOM 111 CA MET A 15 12.755 -9.358 5.693 1.00 0.74 C ATOM 112 C MET A 15 11.994 -10.651 5.877 1.00 0.70 C ATOM 113 O MET A 15 12.481 -11.611 6.469 1.00 0.79 O ATOM 114 CB MET A 15 11.898 -8.171 6.116 1.00 0.84 C ATOM 115 CG MET A 15 11.456 -8.228 7.572 1.00 1.48 C ATOM 116 SD MET A 15 12.840 -8.379 8.716 1.00 2.32 S ATOM 117 CE MET A 15 11.965 -8.601 10.261 1.00 2.91 C ATOM 0 H MET A 15 12.425 -9.155 3.630 1.00 0.73 H new ATOM 0 HA MET A 15 13.640 -9.338 6.328 1.00 0.74 H new ATOM 0 HB2 MET A 15 12.459 -7.251 5.951 1.00 0.84 H new ATOM 0 HB3 MET A 15 11.015 -8.125 5.478 1.00 0.84 H new ATOM 0 HG2 MET A 15 10.890 -7.328 7.811 1.00 1.48 H new ATOM 0 HG3 MET A 15 10.783 -9.074 7.710 1.00 1.48 H new ATOM 0 HE1 MET A 15 12.683 -8.710 11.074 1.00 2.91 H new ATOM 0 HE2 MET A 15 11.333 -7.733 10.449 1.00 2.91 H new ATOM 0 HE3 MET A 15 11.345 -9.495 10.203 1.00 2.91 H new ATOM 127 N ARG A 16 10.791 -10.652 5.316 1.00 0.61 N ATOM 128 CA ARG A 16 9.911 -11.796 5.355 1.00 0.61 C ATOM 129 C ARG A 16 8.703 -11.583 4.447 1.00 0.56 C ATOM 130 O ARG A 16 8.254 -10.457 4.239 1.00 0.52 O ATOM 131 CB ARG A 16 9.458 -12.062 6.791 1.00 0.63 C ATOM 132 CG ARG A 16 8.892 -10.850 7.531 1.00 0.72 C ATOM 133 CD ARG A 16 7.429 -10.585 7.199 1.00 1.06 C ATOM 134 NE ARG A 16 6.628 -11.817 7.197 1.00 1.64 N ATOM 135 CZ ARG A 16 5.939 -12.269 8.247 1.00 2.09 C ATOM 136 NH1 ARG A 16 5.943 -11.603 9.394 1.00 2.43 N ATOM 137 NH2 ARG A 16 5.240 -13.393 8.154 1.00 2.73 N ATOM 0 H ARG A 16 10.403 -9.850 4.820 1.00 0.61 H new ATOM 0 HA ARG A 16 10.459 -12.665 4.991 1.00 0.61 H new ATOM 0 HB2 ARG A 16 8.700 -12.845 6.777 1.00 0.63 H new ATOM 0 HB3 ARG A 16 10.306 -12.449 7.356 1.00 0.63 H new ATOM 0 HG2 ARG A 16 8.993 -11.006 8.605 1.00 0.72 H new ATOM 0 HG3 ARG A 16 9.482 -9.969 7.280 1.00 0.72 H new ATOM 0 HD2 ARG A 16 7.015 -9.885 7.925 1.00 1.06 H new ATOM 0 HD3 ARG A 16 7.361 -10.108 6.221 1.00 1.06 H new ATOM 0 HE ARG A 16 6.596 -12.363 6.336 1.00 1.64 H new ATOM 0 HH11 ARG A 16 6.476 -10.737 9.479 1.00 2.43 H new ATOM 0 HH12 ARG A 16 5.413 -11.956 10.191 1.00 2.43 H new ATOM 0 HH21 ARG A 16 5.228 -13.915 7.278 1.00 2.73 H new ATOM 0 HH22 ARG A 16 4.715 -13.735 8.959 1.00 2.73 H new ATOM 151 N ILE A 17 8.186 -12.675 3.914 1.00 0.62 N ATOM 152 CA ILE A 17 6.937 -12.660 3.163 1.00 0.61 C ATOM 153 C ILE A 17 5.761 -12.622 4.134 1.00 0.57 C ATOM 154 O ILE A 17 5.626 -13.500 4.984 1.00 0.64 O ATOM 155 CB ILE A 17 6.815 -13.881 2.223 1.00 0.73 C ATOM 156 CG1 ILE A 17 7.111 -15.183 2.978 1.00 1.68 C ATOM 157 CG2 ILE A 17 7.751 -13.727 1.034 1.00 1.41 C ATOM 158 CD1 ILE A 17 6.917 -16.434 2.145 1.00 2.26 C ATOM 0 H ILE A 17 8.616 -13.597 3.987 1.00 0.62 H new ATOM 0 HA ILE A 17 6.929 -11.768 2.537 1.00 0.61 H new ATOM 0 HB ILE A 17 5.790 -13.930 1.855 1.00 0.73 H new ATOM 0 HG12 ILE A 17 8.139 -15.156 3.341 1.00 1.68 H new ATOM 0 HG13 ILE A 17 6.465 -15.238 3.854 1.00 1.68 H new ATOM 0 HG21 ILE A 17 7.655 -14.594 0.380 1.00 1.41 H new ATOM 0 HG22 ILE A 17 7.491 -12.825 0.481 1.00 1.41 H new ATOM 0 HG23 ILE A 17 8.779 -13.652 1.388 1.00 1.41 H new ATOM 0 HD11 ILE A 17 7.146 -17.312 2.749 1.00 2.26 H new ATOM 0 HD12 ILE A 17 5.883 -16.487 1.804 1.00 2.26 H new ATOM 0 HD13 ILE A 17 7.583 -16.404 1.282 1.00 2.26 H new ATOM 170 N ILE A 18 4.954 -11.569 4.063 1.00 0.49 N ATOM 171 CA ILE A 18 3.899 -11.368 5.044 1.00 0.48 C ATOM 172 C ILE A 18 2.611 -12.067 4.589 1.00 0.48 C ATOM 173 O ILE A 18 2.657 -13.196 4.102 1.00 0.52 O ATOM 174 CB ILE A 18 3.633 -9.852 5.297 1.00 0.44 C ATOM 175 CG1 ILE A 18 4.946 -9.086 5.421 1.00 0.44 C ATOM 176 CG2 ILE A 18 2.817 -9.643 6.573 1.00 0.50 C ATOM 177 CD1 ILE A 18 4.757 -7.607 5.690 1.00 0.94 C ATOM 0 H ILE A 18 5.010 -10.849 3.343 1.00 0.49 H new ATOM 0 HA ILE A 18 4.230 -11.808 5.985 1.00 0.48 H new ATOM 0 HB ILE A 18 3.069 -9.475 4.444 1.00 0.44 H new ATOM 0 HG12 ILE A 18 5.537 -9.521 6.226 1.00 0.44 H new ATOM 0 HG13 ILE A 18 5.519 -9.210 4.502 1.00 0.44 H new ATOM 0 HG21 ILE A 18 2.646 -8.577 6.725 1.00 0.50 H new ATOM 0 HG22 ILE A 18 1.859 -10.154 6.480 1.00 0.50 H new ATOM 0 HG23 ILE A 18 3.363 -10.048 7.425 1.00 0.50 H new ATOM 0 HD11 ILE A 18 5.731 -7.124 5.767 1.00 0.94 H new ATOM 0 HD12 ILE A 18 4.192 -7.158 4.873 1.00 0.94 H new ATOM 0 HD13 ILE A 18 4.211 -7.474 6.624 1.00 0.94 H new ATOM 189 N LYS A 19 1.476 -11.404 4.743 1.00 0.45 N ATOM 190 CA LYS A 19 0.193 -12.040 4.424 1.00 0.46 C ATOM 191 C LYS A 19 -0.526 -11.196 3.410 1.00 0.42 C ATOM 192 O LYS A 19 -0.430 -9.971 3.501 1.00 0.49 O ATOM 193 CB LYS A 19 -0.665 -12.202 5.685 1.00 0.54 C ATOM 194 CG LYS A 19 -0.132 -13.219 6.692 1.00 1.13 C ATOM 195 CD LYS A 19 -0.426 -14.659 6.276 1.00 1.85 C ATOM 196 CE LYS A 19 0.456 -15.127 5.128 1.00 2.57 C ATOM 197 NZ LYS A 19 0.105 -16.501 4.682 1.00 2.68 N ATOM 0 H LYS A 19 1.408 -10.444 5.080 1.00 0.45 H new ATOM 0 HA LYS A 19 0.376 -13.034 4.016 1.00 0.46 H new ATOM 0 HB2 LYS A 19 -0.750 -11.233 6.177 1.00 0.54 H new ATOM 0 HB3 LYS A 19 -1.671 -12.498 5.388 1.00 0.54 H new ATOM 0 HG2 LYS A 19 0.945 -13.088 6.802 1.00 1.13 H new ATOM 0 HG3 LYS A 19 -0.577 -13.027 7.668 1.00 1.13 H new ATOM 0 HD2 LYS A 19 -0.281 -15.318 7.132 1.00 1.85 H new ATOM 0 HD3 LYS A 19 -1.473 -14.742 5.983 1.00 1.85 H new ATOM 0 HE2 LYS A 19 0.357 -14.437 4.290 1.00 2.57 H new ATOM 0 HE3 LYS A 19 1.500 -15.102 5.439 1.00 2.57 H new ATOM 0 HZ1 LYS A 19 0.729 -16.782 3.899 1.00 2.68 H new ATOM 0 HZ2 LYS A 19 0.224 -17.164 5.474 1.00 2.68 H new ATOM 0 HZ3 LYS A 19 -0.884 -16.520 4.360 1.00 2.68 H new ATOM 211 N TYR A 20 -1.227 -11.813 2.459 1.00 0.37 N ATOM 212 CA TYR A 20 -1.961 -11.051 1.475 1.00 0.41 C ATOM 213 C TYR A 20 -2.905 -11.794 0.538 1.00 0.31 C ATOM 214 O TYR A 20 -3.051 -13.015 0.612 1.00 0.33 O ATOM 215 CB TYR A 20 -1.230 -9.910 0.884 1.00 0.67 C ATOM 216 CG TYR A 20 -1.856 -8.592 1.366 1.00 1.13 C ATOM 217 CD1 TYR A 20 -3.230 -8.501 1.575 1.00 1.34 C ATOM 218 CD2 TYR A 20 -1.103 -7.453 1.588 1.00 1.45 C ATOM 219 CE1 TYR A 20 -3.821 -7.322 1.981 1.00 1.82 C ATOM 220 CE2 TYR A 20 -1.687 -6.271 2.000 1.00 1.93 C ATOM 221 CZ TYR A 20 -3.043 -6.212 2.192 1.00 2.10 C ATOM 222 OH TYR A 20 -3.627 -5.034 2.590 1.00 2.59 O ATOM 0 H TYR A 20 -1.296 -12.826 2.357 1.00 0.37 H new ATOM 0 HA TYR A 20 -2.702 -10.580 2.121 1.00 0.41 H new ATOM 0 HB2 TYR A 20 -0.179 -9.951 1.170 1.00 0.67 H new ATOM 0 HB3 TYR A 20 -1.267 -9.966 -0.204 1.00 0.67 H new ATOM 0 HD1 TYR A 20 -3.847 -9.373 1.416 1.00 1.34 H new ATOM 0 HD2 TYR A 20 -0.034 -7.489 1.436 1.00 1.45 H new ATOM 0 HE1 TYR A 20 -4.889 -7.273 2.132 1.00 1.82 H new ATOM 0 HE2 TYR A 20 -1.077 -5.396 2.170 1.00 1.93 H new ATOM 0 HH TYR A 20 -3.946 -5.122 3.512 1.00 2.59 H new ATOM 232 N GLU A 21 -3.557 -11.000 -0.329 1.00 0.33 N ATOM 233 CA GLU A 21 -4.784 -11.331 -1.043 1.00 0.32 C ATOM 234 C GLU A 21 -5.930 -11.281 -0.076 1.00 0.28 C ATOM 235 O GLU A 21 -6.835 -12.112 -0.034 1.00 0.30 O ATOM 236 CB GLU A 21 -4.696 -12.673 -1.771 1.00 0.35 C ATOM 237 CG GLU A 21 -5.705 -12.789 -2.902 1.00 0.98 C ATOM 238 CD GLU A 21 -5.348 -13.847 -3.918 1.00 1.16 C ATOM 239 OE1 GLU A 21 -4.339 -13.676 -4.627 1.00 1.53 O ATOM 240 OE2 GLU A 21 -6.057 -14.872 -3.986 1.00 1.73 O ATOM 0 H GLU A 21 -3.218 -10.065 -0.556 1.00 0.33 H new ATOM 0 HA GLU A 21 -4.946 -10.594 -1.829 1.00 0.32 H new ATOM 0 HB2 GLU A 21 -3.690 -12.800 -2.171 1.00 0.35 H new ATOM 0 HB3 GLU A 21 -4.860 -13.481 -1.058 1.00 0.35 H new ATOM 0 HG2 GLU A 21 -6.685 -13.015 -2.483 1.00 0.98 H new ATOM 0 HG3 GLU A 21 -5.788 -11.826 -3.405 1.00 0.98 H new ATOM 247 N PHE A 22 -5.816 -10.237 0.712 1.00 0.26 N ATOM 248 CA PHE A 22 -6.845 -9.770 1.599 1.00 0.26 C ATOM 249 C PHE A 22 -7.396 -8.514 0.965 1.00 0.24 C ATOM 250 O PHE A 22 -6.749 -7.930 0.082 1.00 0.27 O ATOM 251 CB PHE A 22 -6.289 -9.499 2.994 1.00 0.32 C ATOM 252 CG PHE A 22 -5.825 -10.743 3.697 1.00 1.08 C ATOM 253 CD1 PHE A 22 -6.737 -11.701 4.105 1.00 1.98 C ATOM 254 CD2 PHE A 22 -4.479 -10.956 3.946 1.00 1.15 C ATOM 255 CE1 PHE A 22 -6.317 -12.847 4.749 1.00 2.89 C ATOM 256 CE2 PHE A 22 -4.054 -12.101 4.590 1.00 2.05 C ATOM 257 CZ PHE A 22 -4.973 -13.048 4.992 1.00 2.92 C ATOM 0 H PHE A 22 -4.969 -9.671 0.751 1.00 0.26 H new ATOM 0 HA PHE A 22 -7.627 -10.517 1.733 1.00 0.26 H new ATOM 0 HB2 PHE A 22 -5.456 -8.801 2.917 1.00 0.32 H new ATOM 0 HB3 PHE A 22 -7.057 -9.014 3.596 1.00 0.32 H new ATOM 0 HD1 PHE A 22 -7.790 -11.550 3.917 1.00 1.98 H new ATOM 0 HD2 PHE A 22 -3.754 -10.219 3.633 1.00 1.15 H new ATOM 0 HE1 PHE A 22 -7.039 -13.586 5.063 1.00 2.89 H new ATOM 0 HE2 PHE A 22 -3.002 -12.255 4.779 1.00 2.05 H new ATOM 0 HZ PHE A 22 -4.642 -13.944 5.495 1.00 2.92 H new ATOM 267 N ILE A 23 -8.550 -8.083 1.397 1.00 0.22 N ATOM 268 CA ILE A 23 -9.203 -6.977 0.753 1.00 0.21 C ATOM 269 C ILE A 23 -8.866 -5.741 1.514 1.00 0.19 C ATOM 270 O ILE A 23 -8.914 -5.714 2.742 1.00 0.22 O ATOM 271 CB ILE A 23 -10.734 -7.117 0.738 1.00 0.28 C ATOM 272 CG1 ILE A 23 -11.145 -8.457 0.129 1.00 0.36 C ATOM 273 CG2 ILE A 23 -11.368 -5.958 -0.025 1.00 0.36 C ATOM 274 CD1 ILE A 23 -10.667 -8.643 -1.292 1.00 0.84 C ATOM 0 H ILE A 23 -9.056 -8.479 2.189 1.00 0.22 H new ATOM 0 HA ILE A 23 -8.860 -6.943 -0.281 1.00 0.21 H new ATOM 0 HB ILE A 23 -11.094 -7.087 1.766 1.00 0.28 H new ATOM 0 HG12 ILE A 23 -10.750 -9.264 0.746 1.00 0.36 H new ATOM 0 HG13 ILE A 23 -12.232 -8.540 0.153 1.00 0.36 H new ATOM 0 HG21 ILE A 23 -12.452 -6.073 -0.026 1.00 0.36 H new ATOM 0 HG22 ILE A 23 -11.103 -5.017 0.457 1.00 0.36 H new ATOM 0 HG23 ILE A 23 -11.003 -5.955 -1.052 1.00 0.36 H new ATOM 0 HD11 ILE A 23 -10.994 -9.615 -1.662 1.00 0.84 H new ATOM 0 HD12 ILE A 23 -11.083 -7.857 -1.922 1.00 0.84 H new ATOM 0 HD13 ILE A 23 -9.579 -8.592 -1.319 1.00 0.84 H new ATOM 286 N LEU A 24 -8.521 -4.723 0.787 1.00 0.18 N ATOM 287 CA LEU A 24 -8.053 -3.513 1.421 1.00 0.19 C ATOM 288 C LEU A 24 -9.172 -2.513 1.503 1.00 0.20 C ATOM 289 O LEU A 24 -9.733 -2.108 0.493 1.00 0.23 O ATOM 290 CB LEU A 24 -6.869 -2.927 0.656 1.00 0.23 C ATOM 291 CG LEU A 24 -6.072 -1.883 1.435 1.00 0.53 C ATOM 292 CD1 LEU A 24 -4.635 -1.828 0.946 1.00 1.32 C ATOM 293 CD2 LEU A 24 -6.712 -0.503 1.339 1.00 1.41 C ATOM 0 H LEU A 24 -8.551 -4.697 -0.232 1.00 0.18 H new ATOM 0 HA LEU A 24 -7.719 -3.754 2.430 1.00 0.19 H new ATOM 0 HB2 LEU A 24 -6.200 -3.738 0.369 1.00 0.23 H new ATOM 0 HB3 LEU A 24 -7.235 -2.474 -0.266 1.00 0.23 H new ATOM 0 HG LEU A 24 -6.077 -2.185 2.482 1.00 0.53 H new ATOM 0 HD11 LEU A 24 -4.086 -1.078 1.515 1.00 1.32 H new ATOM 0 HD12 LEU A 24 -4.166 -2.802 1.083 1.00 1.32 H new ATOM 0 HD13 LEU A 24 -4.620 -1.564 -0.112 1.00 1.32 H new ATOM 0 HD21 LEU A 24 -6.118 0.214 1.905 1.00 1.41 H new ATOM 0 HD22 LEU A 24 -6.755 -0.194 0.295 1.00 1.41 H new ATOM 0 HD23 LEU A 24 -7.722 -0.541 1.748 1.00 1.41 H new ATOM 305 N ASN A 25 -9.481 -2.127 2.726 1.00 0.19 N ATOM 306 CA ASN A 25 -10.520 -1.169 3.003 1.00 0.19 C ATOM 307 C ASN A 25 -9.982 -0.166 4.018 1.00 0.18 C ATOM 308 O ASN A 25 -9.243 -0.558 4.896 1.00 0.22 O ATOM 309 CB ASN A 25 -11.694 -1.974 3.565 1.00 0.29 C ATOM 310 CG ASN A 25 -12.936 -1.179 3.853 1.00 0.92 C ATOM 311 OD1 ASN A 25 -13.126 -0.699 4.962 1.00 1.74 O ATOM 312 ND2 ASN A 25 -13.818 -1.081 2.873 1.00 1.72 N ATOM 0 H ASN A 25 -9.009 -2.477 3.560 1.00 0.19 H new ATOM 0 HA ASN A 25 -10.841 -0.611 2.124 1.00 0.19 H new ATOM 0 HB2 ASN A 25 -11.944 -2.764 2.857 1.00 0.29 H new ATOM 0 HB3 ASN A 25 -11.372 -2.461 4.486 1.00 0.29 H new ATOM 0 HD21 ASN A 25 -14.699 -0.590 3.027 1.00 1.72 H new ATOM 0 HD22 ASN A 25 -13.618 -1.497 1.963 1.00 1.72 H new ATOM 319 N ASP A 26 -10.327 1.106 3.909 1.00 0.16 N ATOM 320 CA ASP A 26 -9.872 2.097 4.891 1.00 0.17 C ATOM 321 C ASP A 26 -10.871 2.270 6.013 1.00 0.18 C ATOM 322 O ASP A 26 -11.839 1.535 6.125 1.00 0.20 O ATOM 323 CB ASP A 26 -9.624 3.481 4.240 1.00 0.19 C ATOM 324 CG ASP A 26 -10.799 4.028 3.481 1.00 0.40 C ATOM 325 OD1 ASP A 26 -11.712 3.263 3.174 1.00 0.66 O ATOM 326 OD2 ASP A 26 -10.797 5.235 3.189 1.00 1.04 O ATOM 0 H ASP A 26 -10.913 1.481 3.163 1.00 0.16 H new ATOM 0 HA ASP A 26 -8.934 1.713 5.293 1.00 0.17 H new ATOM 0 HB2 ASP A 26 -9.347 4.191 5.019 1.00 0.19 H new ATOM 0 HB3 ASP A 26 -8.773 3.403 3.563 1.00 0.19 H new ATOM 331 N ALA A 27 -10.553 3.188 6.892 1.00 0.21 N ATOM 332 CA ALA A 27 -11.435 3.551 8.006 1.00 0.25 C ATOM 333 C ALA A 27 -12.640 4.281 7.466 1.00 0.24 C ATOM 334 O ALA A 27 -13.665 4.424 8.135 1.00 0.28 O ATOM 335 CB ALA A 27 -10.722 4.417 9.029 1.00 0.32 C ATOM 0 H ALA A 27 -9.678 3.712 6.867 1.00 0.21 H new ATOM 0 HA ALA A 27 -11.744 2.635 8.510 1.00 0.25 H new ATOM 0 HB1 ALA A 27 -11.409 4.665 9.838 1.00 0.32 H new ATOM 0 HB2 ALA A 27 -9.867 3.875 9.432 1.00 0.32 H new ATOM 0 HB3 ALA A 27 -10.378 5.335 8.552 1.00 0.32 H new ATOM 341 N LEU A 28 -12.488 4.752 6.240 1.00 0.21 N ATOM 342 CA LEU A 28 -13.622 5.320 5.498 1.00 0.24 C ATOM 343 C LEU A 28 -14.451 4.194 4.951 1.00 0.23 C ATOM 344 O LEU A 28 -15.578 4.360 4.475 1.00 0.29 O ATOM 345 CB LEU A 28 -13.164 6.205 4.346 1.00 0.25 C ATOM 346 CG LEU A 28 -12.403 7.440 4.766 1.00 0.31 C ATOM 347 CD1 LEU A 28 -12.111 8.317 3.559 1.00 0.48 C ATOM 348 CD2 LEU A 28 -13.184 8.215 5.819 1.00 0.48 C ATOM 0 H LEU A 28 -11.603 4.757 5.733 1.00 0.21 H new ATOM 0 HA LEU A 28 -14.201 5.939 6.184 1.00 0.24 H new ATOM 0 HB2 LEU A 28 -12.534 5.615 3.680 1.00 0.25 H new ATOM 0 HB3 LEU A 28 -14.038 6.511 3.770 1.00 0.25 H new ATOM 0 HG LEU A 28 -11.454 7.132 5.204 1.00 0.31 H new ATOM 0 HD11 LEU A 28 -11.562 9.203 3.877 1.00 0.48 H new ATOM 0 HD12 LEU A 28 -11.512 7.758 2.840 1.00 0.48 H new ATOM 0 HD13 LEU A 28 -13.049 8.619 3.093 1.00 0.48 H new ATOM 0 HD21 LEU A 28 -12.621 9.102 6.110 1.00 0.48 H new ATOM 0 HD22 LEU A 28 -14.148 8.516 5.409 1.00 0.48 H new ATOM 0 HD23 LEU A 28 -13.343 7.583 6.693 1.00 0.48 H new ATOM 360 N ASN A 29 -13.833 3.046 5.065 1.00 0.20 N ATOM 361 CA ASN A 29 -14.295 1.794 4.543 1.00 0.23 C ATOM 362 C ASN A 29 -14.672 1.936 3.102 1.00 0.24 C ATOM 363 O ASN A 29 -15.848 1.879 2.752 1.00 0.28 O ATOM 364 CB ASN A 29 -15.509 1.266 5.311 1.00 0.29 C ATOM 365 CG ASN A 29 -15.380 1.373 6.819 1.00 0.60 C ATOM 366 OD1 ASN A 29 -14.877 0.466 7.481 1.00 1.32 O ATOM 367 ND2 ASN A 29 -15.858 2.473 7.378 1.00 1.30 N ATOM 0 H ASN A 29 -12.942 2.960 5.554 1.00 0.20 H new ATOM 0 HA ASN A 29 -13.474 1.086 4.653 1.00 0.23 H new ATOM 0 HB2 ASN A 29 -16.395 1.816 4.993 1.00 0.29 H new ATOM 0 HB3 ASN A 29 -15.669 0.221 5.044 1.00 0.29 H new ATOM 0 HD21 ASN A 29 -15.816 2.590 8.390 1.00 1.30 H new ATOM 0 HD22 ASN A 29 -16.268 3.204 6.796 1.00 1.30 H new ATOM 374 N GLN A 30 -13.673 2.061 2.263 1.00 0.23 N ATOM 375 CA GLN A 30 -13.861 1.933 0.864 1.00 0.24 C ATOM 376 C GLN A 30 -12.761 1.025 0.393 1.00 0.22 C ATOM 377 O GLN A 30 -11.588 1.386 0.444 1.00 0.28 O ATOM 378 CB GLN A 30 -13.769 3.306 0.192 1.00 0.36 C ATOM 379 CG GLN A 30 -14.584 4.386 0.891 1.00 0.98 C ATOM 380 CD GLN A 30 -16.082 4.217 0.717 1.00 1.41 C ATOM 381 OE1 GLN A 30 -16.556 3.776 -0.329 1.00 2.21 O ATOM 382 NE2 GLN A 30 -16.839 4.541 1.755 1.00 1.84 N ATOM 0 H GLN A 30 -12.712 2.254 2.545 1.00 0.23 H new ATOM 0 HA GLN A 30 -14.842 1.528 0.615 1.00 0.24 H new ATOM 0 HB2 GLN A 30 -12.724 3.615 0.160 1.00 0.36 H new ATOM 0 HB3 GLN A 30 -14.108 3.219 -0.840 1.00 0.36 H new ATOM 0 HG2 GLN A 30 -14.346 4.379 1.955 1.00 0.98 H new ATOM 0 HG3 GLN A 30 -14.288 5.361 0.504 1.00 0.98 H new ATOM 0 HE21 GLN A 30 -16.409 4.904 2.606 1.00 1.84 H new ATOM 0 HE22 GLN A 30 -17.851 4.428 1.703 1.00 1.84 H new ATOM 391 N SER A 31 -13.118 -0.162 -0.036 1.00 0.23 N ATOM 392 CA SER A 31 -12.120 -1.083 -0.475 1.00 0.26 C ATOM 393 C SER A 31 -11.528 -0.551 -1.767 1.00 0.21 C ATOM 394 O SER A 31 -12.241 -0.309 -2.737 1.00 0.21 O ATOM 395 CB SER A 31 -12.742 -2.460 -0.642 1.00 0.36 C ATOM 396 OG SER A 31 -13.376 -2.867 0.559 1.00 1.23 O ATOM 0 H SER A 31 -14.079 -0.501 -0.087 1.00 0.23 H new ATOM 0 HA SER A 31 -11.317 -1.184 0.255 1.00 0.26 H new ATOM 0 HB2 SER A 31 -13.468 -2.442 -1.455 1.00 0.36 H new ATOM 0 HB3 SER A 31 -11.973 -3.182 -0.917 1.00 0.36 H new ATOM 0 HG SER A 31 -13.276 -3.836 0.670 1.00 1.23 H new ATOM 402 N ILE A 32 -10.228 -0.357 -1.767 1.00 0.21 N ATOM 403 CA ILE A 32 -9.590 0.368 -2.843 1.00 0.20 C ATOM 404 C ILE A 32 -9.488 -0.482 -4.127 1.00 0.21 C ATOM 405 O ILE A 32 -8.706 -1.425 -4.200 1.00 0.24 O ATOM 406 CB ILE A 32 -8.200 0.923 -2.443 1.00 0.24 C ATOM 407 CG1 ILE A 32 -7.181 -0.181 -2.173 1.00 1.11 C ATOM 408 CG2 ILE A 32 -8.333 1.794 -1.214 1.00 1.23 C ATOM 409 CD1 ILE A 32 -5.783 0.351 -1.937 1.00 1.72 C ATOM 0 H ILE A 32 -9.595 -0.689 -1.039 1.00 0.21 H new ATOM 0 HA ILE A 32 -10.233 1.223 -3.053 1.00 0.20 H new ATOM 0 HB ILE A 32 -7.833 1.507 -3.287 1.00 0.24 H new ATOM 0 HG12 ILE A 32 -7.497 -0.755 -1.302 1.00 1.11 H new ATOM 0 HG13 ILE A 32 -7.165 -0.868 -3.019 1.00 1.11 H new ATOM 0 HG21 ILE A 32 -7.353 2.183 -0.936 1.00 1.23 H new ATOM 0 HG22 ILE A 32 -9.005 2.625 -1.428 1.00 1.23 H new ATOM 0 HG23 ILE A 32 -8.736 1.203 -0.391 1.00 1.23 H new ATOM 0 HD11 ILE A 32 -5.104 -0.481 -1.751 1.00 1.72 H new ATOM 0 HD12 ILE A 32 -5.450 0.901 -2.817 1.00 1.72 H new ATOM 0 HD13 ILE A 32 -5.788 1.016 -1.073 1.00 1.72 H new ATOM 421 N ILE A 33 -10.327 -0.193 -5.115 1.00 0.21 N ATOM 422 CA ILE A 33 -10.345 -0.983 -6.352 1.00 0.24 C ATOM 423 C ILE A 33 -9.567 -0.274 -7.467 1.00 0.24 C ATOM 424 O ILE A 33 -9.447 0.951 -7.479 1.00 0.24 O ATOM 425 CB ILE A 33 -11.787 -1.210 -6.860 1.00 0.28 C ATOM 426 CG1 ILE A 33 -12.772 -1.318 -5.692 1.00 0.80 C ATOM 427 CG2 ILE A 33 -11.852 -2.466 -7.719 1.00 0.77 C ATOM 428 CD1 ILE A 33 -14.217 -1.461 -6.124 1.00 0.91 C ATOM 0 H ILE A 33 -10.999 0.574 -5.090 1.00 0.21 H new ATOM 0 HA ILE A 33 -9.882 -1.940 -6.113 1.00 0.24 H new ATOM 0 HB ILE A 33 -12.071 -0.350 -7.466 1.00 0.28 H new ATOM 0 HG12 ILE A 33 -12.500 -2.176 -5.077 1.00 0.80 H new ATOM 0 HG13 ILE A 33 -12.676 -0.432 -5.064 1.00 0.80 H new ATOM 0 HG21 ILE A 33 -12.873 -2.614 -8.070 1.00 0.77 H new ATOM 0 HG22 ILE A 33 -11.186 -2.356 -8.575 1.00 0.77 H new ATOM 0 HG23 ILE A 33 -11.543 -3.328 -7.127 1.00 0.77 H new ATOM 0 HD11 ILE A 33 -14.855 -1.532 -5.243 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.508 -0.592 -6.714 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -14.329 -2.362 -6.727 1.00 0.91 H new ATOM 440 N ARG A 34 -9.058 -1.051 -8.414 1.00 0.31 N ATOM 441 CA ARG A 34 -8.366 -0.501 -9.573 1.00 0.35 C ATOM 442 C ARG A 34 -9.379 -0.092 -10.636 1.00 0.36 C ATOM 443 O ARG A 34 -10.071 -0.941 -11.201 1.00 0.42 O ATOM 444 CB ARG A 34 -7.388 -1.538 -10.147 1.00 0.48 C ATOM 445 CG ARG A 34 -6.781 -1.146 -11.490 1.00 1.04 C ATOM 446 CD ARG A 34 -5.807 -2.200 -12.002 1.00 1.16 C ATOM 447 NE ARG A 34 -6.432 -3.518 -12.151 1.00 1.48 N ATOM 448 CZ ARG A 34 -5.853 -4.560 -12.761 1.00 1.79 C ATOM 449 NH1 ARG A 34 -4.690 -4.415 -13.391 1.00 2.09 N ATOM 450 NH2 ARG A 34 -6.462 -5.740 -12.777 1.00 2.47 N ATOM 0 H ARG A 34 -9.112 -2.070 -8.402 1.00 0.31 H new ATOM 0 HA ARG A 34 -7.802 0.379 -9.264 1.00 0.35 H new ATOM 0 HB2 ARG A 34 -6.583 -1.698 -9.430 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -7.909 -2.489 -10.260 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -7.577 -1.002 -12.220 1.00 1.04 H new ATOM 0 HG3 ARG A 34 -6.264 -0.192 -11.390 1.00 1.04 H new ATOM 0 HD2 ARG A 34 -5.405 -1.882 -12.964 1.00 1.16 H new ATOM 0 HD3 ARG A 34 -4.965 -2.277 -11.314 1.00 1.16 H new ATOM 0 HE ARG A 34 -7.367 -3.649 -11.766 1.00 1.48 H new ATOM 0 HH11 ARG A 34 -4.232 -3.504 -13.412 1.00 2.09 H new ATOM 0 HH12 ARG A 34 -4.257 -5.215 -13.853 1.00 2.09 H new ATOM 0 HH21 ARG A 34 -7.370 -5.852 -12.325 1.00 2.47 H new ATOM 0 HH22 ARG A 34 -6.022 -6.535 -13.241 1.00 2.47 H new ATOM 464 N ALA A 35 -9.468 1.204 -10.901 1.00 0.37 N ATOM 465 CA ALA A 35 -10.367 1.702 -11.931 1.00 0.46 C ATOM 466 C ALA A 35 -9.621 1.742 -13.247 1.00 0.53 C ATOM 467 O ALA A 35 -10.156 1.409 -14.305 1.00 0.63 O ATOM 468 CB ALA A 35 -10.892 3.083 -11.565 1.00 0.54 C ATOM 0 H ALA A 35 -8.932 1.926 -10.420 1.00 0.37 H new ATOM 0 HA ALA A 35 -11.227 1.038 -12.019 1.00 0.46 H new ATOM 0 HB1 ALA A 35 -11.562 3.437 -12.348 1.00 0.54 H new ATOM 0 HB2 ALA A 35 -11.434 3.028 -10.621 1.00 0.54 H new ATOM 0 HB3 ALA A 35 -10.056 3.775 -11.463 1.00 0.54 H new ATOM 474 N ASN A 36 -8.364 2.137 -13.148 1.00 0.53 N ATOM 475 CA ASN A 36 -7.428 2.102 -14.253 1.00 0.66 C ATOM 476 C ASN A 36 -6.078 1.707 -13.687 1.00 0.65 C ATOM 477 O ASN A 36 -5.860 1.796 -12.479 1.00 0.55 O ATOM 478 CB ASN A 36 -7.328 3.472 -14.939 1.00 0.76 C ATOM 479 CG ASN A 36 -8.655 3.960 -15.495 1.00 1.43 C ATOM 480 OD1 ASN A 36 -9.418 4.639 -14.805 1.00 2.25 O ATOM 481 ND2 ASN A 36 -8.943 3.622 -16.744 1.00 1.93 N ATOM 0 H ASN A 36 -7.961 2.496 -12.283 1.00 0.53 H new ATOM 0 HA ASN A 36 -7.765 1.387 -15.004 1.00 0.66 H new ATOM 0 HB2 ASN A 36 -6.950 4.203 -14.224 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -6.601 3.413 -15.749 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -9.821 3.925 -17.165 1.00 1.93 H new ATOM 0 HD22 ASN A 36 -8.286 3.059 -17.284 1.00 1.93 H new ATOM 488 N ASP A 37 -5.177 1.265 -14.539 1.00 0.81 N ATOM 489 CA ASP A 37 -3.870 0.808 -14.085 1.00 0.88 C ATOM 490 C ASP A 37 -2.971 1.967 -13.684 1.00 0.79 C ATOM 491 O ASP A 37 -1.829 1.759 -13.289 1.00 0.88 O ATOM 492 CB ASP A 37 -3.189 -0.054 -15.143 1.00 1.10 C ATOM 493 CG ASP A 37 -3.821 -1.424 -15.242 1.00 1.76 C ATOM 494 OD1 ASP A 37 -3.459 -2.306 -14.435 1.00 2.51 O ATOM 495 OD2 ASP A 37 -4.685 -1.622 -16.121 1.00 2.10 O ATOM 0 H ASP A 37 -5.320 1.210 -15.547 1.00 0.81 H new ATOM 0 HA ASP A 37 -4.038 0.197 -13.198 1.00 0.88 H new ATOM 0 HB2 ASP A 37 -3.247 0.444 -16.111 1.00 1.10 H new ATOM 0 HB3 ASP A 37 -2.131 -0.158 -14.901 1.00 1.10 H new ATOM 500 N GLN A 38 -3.476 3.188 -13.813 1.00 0.68 N ATOM 501 CA GLN A 38 -2.728 4.365 -13.387 1.00 0.60 C ATOM 502 C GLN A 38 -3.479 5.126 -12.297 1.00 0.44 C ATOM 503 O GLN A 38 -2.871 5.849 -11.508 1.00 0.39 O ATOM 504 CB GLN A 38 -2.425 5.290 -14.569 1.00 0.71 C ATOM 505 CG GLN A 38 -1.385 4.732 -15.529 1.00 1.53 C ATOM 506 CD GLN A 38 -0.968 5.736 -16.587 1.00 2.01 C ATOM 507 OE1 GLN A 38 -1.754 6.589 -16.999 1.00 2.57 O ATOM 508 NE2 GLN A 38 0.273 5.643 -17.033 1.00 2.58 N ATOM 0 H GLN A 38 -4.395 3.389 -14.207 1.00 0.68 H new ATOM 0 HA GLN A 38 -1.780 4.018 -12.976 1.00 0.60 H new ATOM 0 HB2 GLN A 38 -3.348 5.480 -15.117 1.00 0.71 H new ATOM 0 HB3 GLN A 38 -2.077 6.250 -14.188 1.00 0.71 H new ATOM 0 HG2 GLN A 38 -0.507 4.419 -14.965 1.00 1.53 H new ATOM 0 HG3 GLN A 38 -1.785 3.843 -16.015 1.00 1.53 H new ATOM 0 HE21 GLN A 38 0.894 4.922 -16.666 1.00 2.58 H new ATOM 0 HE22 GLN A 38 0.609 6.292 -17.744 1.00 2.58 H new ATOM 517 N TYR A 39 -4.797 4.965 -12.255 1.00 0.43 N ATOM 518 CA TYR A 39 -5.613 5.613 -11.235 1.00 0.41 C ATOM 519 C TYR A 39 -6.456 4.594 -10.474 1.00 0.34 C ATOM 520 O TYR A 39 -7.137 3.759 -11.072 1.00 0.36 O ATOM 521 CB TYR A 39 -6.516 6.683 -11.850 1.00 0.64 C ATOM 522 CG TYR A 39 -5.811 7.993 -12.105 1.00 0.92 C ATOM 523 CD1 TYR A 39 -5.697 8.951 -11.108 1.00 1.50 C ATOM 524 CD2 TYR A 39 -5.264 8.270 -13.350 1.00 1.31 C ATOM 525 CE1 TYR A 39 -5.058 10.151 -11.347 1.00 2.23 C ATOM 526 CE2 TYR A 39 -4.622 9.467 -13.595 1.00 1.97 C ATOM 527 CZ TYR A 39 -4.511 10.404 -12.560 1.00 2.39 C ATOM 528 OH TYR A 39 -3.884 11.598 -12.830 1.00 3.17 O ATOM 0 H TYR A 39 -5.323 4.392 -12.915 1.00 0.43 H new ATOM 0 HA TYR A 39 -4.933 6.094 -10.532 1.00 0.41 H new ATOM 0 HB2 TYR A 39 -6.921 6.309 -12.790 1.00 0.64 H new ATOM 0 HB3 TYR A 39 -7.362 6.858 -11.186 1.00 0.64 H new ATOM 0 HD1 TYR A 39 -6.114 8.755 -10.131 1.00 1.50 H new ATOM 0 HD2 TYR A 39 -5.342 7.537 -14.140 1.00 1.31 H new ATOM 0 HE1 TYR A 39 -4.994 10.891 -10.563 1.00 2.23 H new ATOM 0 HE2 TYR A 39 -4.211 9.678 -14.571 1.00 1.97 H new ATOM 0 HH TYR A 39 -3.554 11.593 -13.753 1.00 3.17 H new ATOM 538 N LEU A 40 -6.426 4.688 -9.157 1.00 0.31 N ATOM 539 CA LEU A 40 -7.135 3.749 -8.300 1.00 0.28 C ATOM 540 C LEU A 40 -8.121 4.489 -7.405 1.00 0.25 C ATOM 541 O LEU A 40 -7.776 5.483 -6.769 1.00 0.29 O ATOM 542 CB LEU A 40 -6.112 2.953 -7.475 1.00 0.30 C ATOM 543 CG LEU A 40 -6.648 1.728 -6.731 1.00 0.51 C ATOM 544 CD1 LEU A 40 -5.550 0.689 -6.564 1.00 1.21 C ATOM 545 CD2 LEU A 40 -7.188 2.123 -5.371 1.00 1.31 C ATOM 0 H LEU A 40 -5.914 5.411 -8.652 1.00 0.31 H new ATOM 0 HA LEU A 40 -7.710 3.052 -8.909 1.00 0.28 H new ATOM 0 HB2 LEU A 40 -5.314 2.626 -8.142 1.00 0.30 H new ATOM 0 HB3 LEU A 40 -5.662 3.627 -6.746 1.00 0.30 H new ATOM 0 HG LEU A 40 -7.459 1.300 -7.321 1.00 0.51 H new ATOM 0 HD11 LEU A 40 -5.946 -0.177 -6.033 1.00 1.21 H new ATOM 0 HD12 LEU A 40 -5.190 0.379 -7.545 1.00 1.21 H new ATOM 0 HD13 LEU A 40 -4.726 1.119 -5.994 1.00 1.21 H new ATOM 0 HD21 LEU A 40 -7.564 1.238 -4.858 1.00 1.31 H new ATOM 0 HD22 LEU A 40 -6.391 2.574 -4.780 1.00 1.31 H new ATOM 0 HD23 LEU A 40 -7.998 2.842 -5.496 1.00 1.31 H new ATOM 557 N THR A 41 -9.351 3.997 -7.374 1.00 0.24 N ATOM 558 CA THR A 41 -10.415 4.617 -6.604 1.00 0.22 C ATOM 559 C THR A 41 -10.927 3.641 -5.550 1.00 0.19 C ATOM 560 O THR A 41 -11.118 2.456 -5.824 1.00 0.21 O ATOM 561 CB THR A 41 -11.579 5.030 -7.528 1.00 0.27 C ATOM 562 OG1 THR A 41 -11.064 5.690 -8.693 1.00 1.36 O ATOM 563 CG2 THR A 41 -12.547 5.958 -6.806 1.00 1.28 C ATOM 0 H THR A 41 -9.637 3.159 -7.881 1.00 0.24 H new ATOM 0 HA THR A 41 -10.017 5.507 -6.116 1.00 0.22 H new ATOM 0 HB THR A 41 -12.117 4.128 -7.822 1.00 0.27 H new ATOM 0 HG1 THR A 41 -11.807 5.949 -9.277 1.00 1.36 H new ATOM 0 HG21 THR A 41 -13.358 6.234 -7.480 1.00 1.28 H new ATOM 0 HG22 THR A 41 -12.957 5.449 -5.934 1.00 1.28 H new ATOM 0 HG23 THR A 41 -12.019 6.857 -6.486 1.00 1.28 H new ATOM 571 N ALA A 42 -11.144 4.139 -4.354 1.00 0.19 N ATOM 572 CA ALA A 42 -11.628 3.319 -3.261 1.00 0.20 C ATOM 573 C ALA A 42 -13.146 3.323 -3.216 1.00 0.20 C ATOM 574 O ALA A 42 -13.780 4.358 -3.413 1.00 0.27 O ATOM 575 CB ALA A 42 -11.057 3.816 -1.947 1.00 0.26 C ATOM 0 H ALA A 42 -10.992 5.118 -4.110 1.00 0.19 H new ATOM 0 HA ALA A 42 -11.297 2.293 -3.424 1.00 0.20 H new ATOM 0 HB1 ALA A 42 -11.426 3.194 -1.131 1.00 0.26 H new ATOM 0 HB2 ALA A 42 -9.969 3.763 -1.980 1.00 0.26 H new ATOM 0 HB3 ALA A 42 -11.365 4.849 -1.784 1.00 0.26 H new ATOM 581 N ALA A 43 -13.723 2.157 -2.968 1.00 0.20 N ATOM 582 CA ALA A 43 -15.178 2.026 -2.878 1.00 0.29 C ATOM 583 C ALA A 43 -15.571 0.911 -1.911 1.00 0.35 C ATOM 584 O ALA A 43 -15.032 -0.193 -1.970 1.00 0.40 O ATOM 585 CB ALA A 43 -15.766 1.756 -4.255 1.00 0.38 C ATOM 0 H ALA A 43 -13.211 1.286 -2.825 1.00 0.20 H new ATOM 0 HA ALA A 43 -15.580 2.964 -2.496 1.00 0.29 H new ATOM 0 HB1 ALA A 43 -16.849 1.660 -4.176 1.00 0.38 H new ATOM 0 HB2 ALA A 43 -15.523 2.582 -4.923 1.00 0.38 H new ATOM 0 HB3 ALA A 43 -15.348 0.832 -4.654 1.00 0.38 H new ATOM 591 N ALA A 44 -16.529 1.204 -1.032 1.00 0.63 N ATOM 592 CA ALA A 44 -16.954 0.269 0.001 1.00 0.65 C ATOM 593 C ALA A 44 -17.478 -1.034 -0.576 1.00 0.46 C ATOM 594 O ALA A 44 -18.412 -1.055 -1.376 1.00 0.79 O ATOM 595 CB ALA A 44 -18.019 0.907 0.870 1.00 1.13 C ATOM 0 H ALA A 44 -17.028 2.093 -1.018 1.00 0.63 H new ATOM 0 HA ALA A 44 -16.075 0.031 0.600 1.00 0.65 H new ATOM 0 HB1 ALA A 44 -18.331 0.201 1.640 1.00 1.13 H new ATOM 0 HB2 ALA A 44 -17.615 1.803 1.341 1.00 1.13 H new ATOM 0 HB3 ALA A 44 -18.878 1.176 0.255 1.00 1.13 H new ATOM 601 N LEU A 45 -16.848 -2.112 -0.156 1.00 0.47 N ATOM 602 CA LEU A 45 -17.239 -3.448 -0.523 1.00 0.66 C ATOM 603 C LEU A 45 -18.441 -3.956 0.266 1.00 0.62 C ATOM 604 O LEU A 45 -18.724 -3.502 1.373 1.00 0.88 O ATOM 605 CB LEU A 45 -16.062 -4.398 -0.372 1.00 1.23 C ATOM 606 CG LEU A 45 -15.618 -5.030 -1.678 1.00 2.25 C ATOM 607 CD1 LEU A 45 -16.742 -5.873 -2.243 1.00 2.87 C ATOM 608 CD2 LEU A 45 -15.205 -3.955 -2.670 1.00 2.93 C ATOM 0 H LEU A 45 -16.036 -2.078 0.461 1.00 0.47 H new ATOM 0 HA LEU A 45 -17.548 -3.412 -1.568 1.00 0.66 H new ATOM 0 HB2 LEU A 45 -15.222 -3.856 0.063 1.00 1.23 H new ATOM 0 HB3 LEU A 45 -16.331 -5.187 0.330 1.00 1.23 H new ATOM 0 HG LEU A 45 -14.756 -5.671 -1.492 1.00 2.25 H new ATOM 0 HD11 LEU A 45 -16.421 -6.326 -3.181 1.00 2.87 H new ATOM 0 HD12 LEU A 45 -17.002 -6.657 -1.532 1.00 2.87 H new ATOM 0 HD13 LEU A 45 -17.613 -5.244 -2.424 1.00 2.87 H new ATOM 0 HD21 LEU A 45 -14.889 -4.423 -3.602 1.00 2.93 H new ATOM 0 HD22 LEU A 45 -16.050 -3.295 -2.864 1.00 2.93 H new ATOM 0 HD23 LEU A 45 -14.379 -3.376 -2.256 1.00 2.93 H new ATOM 620 N HIS A 46 -19.132 -4.908 -0.336 1.00 0.61 N ATOM 621 CA HIS A 46 -20.258 -5.584 0.291 1.00 0.80 C ATOM 622 C HIS A 46 -20.160 -7.082 -0.019 1.00 0.76 C ATOM 623 O HIS A 46 -20.773 -7.912 0.649 1.00 0.94 O ATOM 624 CB HIS A 46 -21.582 -5.002 -0.230 1.00 1.06 C ATOM 625 CG HIS A 46 -22.810 -5.615 0.376 1.00 1.87 C ATOM 626 ND1 HIS A 46 -23.750 -6.296 -0.365 1.00 2.69 N ATOM 627 CD2 HIS A 46 -23.258 -5.633 1.654 1.00 2.79 C ATOM 628 CE1 HIS A 46 -24.722 -6.705 0.426 1.00 3.63 C ATOM 629 NE2 HIS A 46 -24.447 -6.318 1.656 1.00 3.71 N ATOM 0 H HIS A 46 -18.928 -5.237 -1.280 1.00 0.61 H new ATOM 0 HA HIS A 46 -20.232 -5.435 1.370 1.00 0.80 H new ATOM 0 HB2 HIS A 46 -21.594 -3.929 -0.038 1.00 1.06 H new ATOM 0 HB3 HIS A 46 -21.622 -5.133 -1.311 1.00 1.06 H new ATOM 0 HD2 HIS A 46 -22.771 -5.191 2.511 1.00 2.79 H new ATOM 0 HE1 HIS A 46 -25.595 -7.262 0.119 1.00 3.63 H new ATOM 0 HE2 HIS A 46 -25.025 -6.499 2.477 1.00 3.71 H new ATOM 638 N ASN A 47 -19.355 -7.413 -1.031 1.00 0.66 N ATOM 639 CA ASN A 47 -18.981 -8.802 -1.313 1.00 0.71 C ATOM 640 C ASN A 47 -17.680 -9.125 -0.603 1.00 0.76 C ATOM 641 O ASN A 47 -17.188 -10.251 -0.671 1.00 0.88 O ATOM 642 CB ASN A 47 -18.714 -9.032 -2.802 1.00 0.74 C ATOM 643 CG ASN A 47 -19.747 -8.425 -3.741 1.00 1.42 C ATOM 644 OD1 ASN A 47 -20.330 -7.372 -3.472 1.00 2.21 O ATOM 645 ND2 ASN A 47 -19.973 -9.089 -4.862 1.00 1.94 N ATOM 0 H ASN A 47 -18.947 -6.734 -1.673 1.00 0.66 H new ATOM 0 HA ASN A 47 -19.810 -9.426 -0.979 1.00 0.71 H new ATOM 0 HB2 ASN A 47 -17.735 -8.621 -3.048 1.00 0.74 H new ATOM 0 HB3 ASN A 47 -18.664 -10.105 -2.985 1.00 0.74 H new ATOM 0 HD21 ASN A 47 -20.649 -8.733 -5.538 1.00 1.94 H new ATOM 0 HD22 ASN A 47 -19.472 -9.957 -5.051 1.00 1.94 H new ATOM 652 N LEU A 48 -17.138 -8.113 0.073 1.00 0.77 N ATOM 653 CA LEU A 48 -15.798 -8.160 0.641 1.00 0.89 C ATOM 654 C LEU A 48 -14.733 -8.233 -0.468 1.00 0.81 C ATOM 655 O LEU A 48 -14.005 -7.271 -0.690 1.00 0.78 O ATOM 656 CB LEU A 48 -15.695 -9.325 1.627 1.00 1.15 C ATOM 657 CG LEU A 48 -16.640 -9.211 2.832 1.00 1.37 C ATOM 658 CD1 LEU A 48 -16.841 -10.556 3.509 1.00 1.71 C ATOM 659 CD2 LEU A 48 -16.107 -8.192 3.826 1.00 1.66 C ATOM 0 H LEU A 48 -17.623 -7.232 0.241 1.00 0.77 H new ATOM 0 HA LEU A 48 -15.607 -7.240 1.193 1.00 0.89 H new ATOM 0 HB2 LEU A 48 -15.908 -10.254 1.099 1.00 1.15 H new ATOM 0 HB3 LEU A 48 -14.669 -9.392 1.988 1.00 1.15 H new ATOM 0 HG LEU A 48 -17.610 -8.875 2.466 1.00 1.37 H new ATOM 0 HD11 LEU A 48 -17.515 -10.439 4.358 1.00 1.71 H new ATOM 0 HD12 LEU A 48 -17.272 -11.261 2.798 1.00 1.71 H new ATOM 0 HD13 LEU A 48 -15.880 -10.935 3.858 1.00 1.71 H new ATOM 0 HD21 LEU A 48 -16.787 -8.122 4.675 1.00 1.66 H new ATOM 0 HD22 LEU A 48 -15.123 -8.504 4.175 1.00 1.66 H new ATOM 0 HD23 LEU A 48 -16.029 -7.218 3.342 1.00 1.66 H new ATOM 671 N ASP A 49 -14.665 -9.348 -1.180 1.00 0.83 N ATOM 672 CA ASP A 49 -13.704 -9.520 -2.283 1.00 0.83 C ATOM 673 C ASP A 49 -14.264 -8.988 -3.609 1.00 0.75 C ATOM 674 O ASP A 49 -14.893 -9.726 -4.371 1.00 0.83 O ATOM 675 CB ASP A 49 -13.336 -10.998 -2.446 1.00 1.00 C ATOM 676 CG ASP A 49 -12.214 -11.252 -3.445 1.00 1.20 C ATOM 677 OD1 ASP A 49 -11.880 -10.316 -4.206 1.00 1.53 O ATOM 678 OD2 ASP A 49 -11.663 -12.370 -3.488 1.00 1.87 O ATOM 0 H ASP A 49 -15.264 -10.158 -1.020 1.00 0.83 H new ATOM 0 HA ASP A 49 -12.813 -8.945 -2.029 1.00 0.83 H new ATOM 0 HB2 ASP A 49 -13.041 -11.397 -1.476 1.00 1.00 H new ATOM 0 HB3 ASP A 49 -14.222 -11.549 -2.762 1.00 1.00 H new ATOM 683 N GLU A 50 -14.067 -7.707 -3.859 1.00 0.66 N ATOM 684 CA GLU A 50 -14.417 -7.108 -5.146 1.00 0.72 C ATOM 685 C GLU A 50 -13.413 -6.013 -5.470 1.00 0.62 C ATOM 686 O GLU A 50 -13.148 -5.711 -6.635 1.00 0.68 O ATOM 687 CB GLU A 50 -15.845 -6.558 -5.143 1.00 0.94 C ATOM 688 CG GLU A 50 -16.322 -6.039 -6.489 1.00 1.25 C ATOM 689 CD GLU A 50 -16.319 -7.108 -7.560 1.00 1.93 C ATOM 690 OE1 GLU A 50 -17.143 -8.042 -7.475 1.00 2.66 O ATOM 691 OE2 GLU A 50 -15.501 -7.016 -8.498 1.00 2.35 O ATOM 0 H GLU A 50 -13.665 -7.053 -3.188 1.00 0.66 H new ATOM 0 HA GLU A 50 -14.378 -7.879 -5.916 1.00 0.72 H new ATOM 0 HB2 GLU A 50 -16.523 -7.344 -4.810 1.00 0.94 H new ATOM 0 HB3 GLU A 50 -15.909 -5.751 -4.413 1.00 0.94 H new ATOM 0 HG2 GLU A 50 -17.330 -5.639 -6.383 1.00 1.25 H new ATOM 0 HG3 GLU A 50 -15.683 -5.214 -6.803 1.00 1.25 H new ATOM 698 N ALA A 51 -12.844 -5.428 -4.426 1.00 0.52 N ATOM 699 CA ALA A 51 -11.748 -4.497 -4.591 1.00 0.43 C ATOM 700 C ALA A 51 -10.464 -5.267 -4.818 1.00 0.32 C ATOM 701 O ALA A 51 -10.385 -6.453 -4.497 1.00 0.33 O ATOM 702 CB ALA A 51 -11.607 -3.623 -3.367 1.00 0.50 C ATOM 0 H ALA A 51 -13.126 -5.584 -3.458 1.00 0.52 H new ATOM 0 HA ALA A 51 -11.953 -3.860 -5.452 1.00 0.43 H new ATOM 0 HB1 ALA A 51 -10.778 -2.929 -3.509 1.00 0.50 H new ATOM 0 HB2 ALA A 51 -12.528 -3.061 -3.213 1.00 0.50 H new ATOM 0 HB3 ALA A 51 -11.413 -4.247 -2.495 1.00 0.50 H new ATOM 708 N VAL A 52 -9.464 -4.602 -5.369 1.00 0.28 N ATOM 709 CA VAL A 52 -8.227 -5.272 -5.707 1.00 0.26 C ATOM 710 C VAL A 52 -7.461 -5.628 -4.453 1.00 0.22 C ATOM 711 O VAL A 52 -7.296 -4.826 -3.533 1.00 0.23 O ATOM 712 CB VAL A 52 -7.331 -4.472 -6.680 1.00 0.29 C ATOM 713 CG1 VAL A 52 -8.014 -4.344 -8.032 1.00 0.38 C ATOM 714 CG2 VAL A 52 -6.990 -3.098 -6.123 1.00 0.31 C ATOM 0 H VAL A 52 -9.486 -3.606 -5.589 1.00 0.28 H new ATOM 0 HA VAL A 52 -8.509 -6.182 -6.236 1.00 0.26 H new ATOM 0 HB VAL A 52 -6.396 -5.018 -6.803 1.00 0.29 H new ATOM 0 HG11 VAL A 52 -7.375 -3.779 -8.710 1.00 0.38 H new ATOM 0 HG12 VAL A 52 -8.193 -5.337 -8.445 1.00 0.38 H new ATOM 0 HG13 VAL A 52 -8.965 -3.824 -7.912 1.00 0.38 H new ATOM 0 HG21 VAL A 52 -6.359 -2.564 -6.833 1.00 0.31 H new ATOM 0 HG22 VAL A 52 -7.908 -2.534 -5.958 1.00 0.31 H new ATOM 0 HG23 VAL A 52 -6.458 -3.210 -5.178 1.00 0.31 H new ATOM 724 N LYS A 53 -7.031 -6.860 -4.439 1.00 0.22 N ATOM 725 CA LYS A 53 -6.420 -7.482 -3.276 1.00 0.22 C ATOM 726 C LYS A 53 -4.929 -7.350 -3.377 1.00 0.18 C ATOM 727 O LYS A 53 -4.330 -7.652 -4.408 1.00 0.24 O ATOM 728 CB LYS A 53 -6.817 -8.961 -3.222 1.00 0.35 C ATOM 729 CG LYS A 53 -8.271 -9.192 -3.606 1.00 0.78 C ATOM 730 CD LYS A 53 -8.611 -10.667 -3.745 1.00 1.12 C ATOM 731 CE LYS A 53 -8.719 -11.359 -2.398 1.00 1.37 C ATOM 732 NZ LYS A 53 -9.224 -12.751 -2.535 1.00 1.59 N ATOM 0 H LYS A 53 -7.093 -7.479 -5.247 1.00 0.22 H new ATOM 0 HA LYS A 53 -6.764 -6.991 -2.366 1.00 0.22 H new ATOM 0 HB2 LYS A 53 -6.173 -9.531 -3.892 1.00 0.35 H new ATOM 0 HB3 LYS A 53 -6.646 -9.343 -2.215 1.00 0.35 H new ATOM 0 HG2 LYS A 53 -8.918 -8.743 -2.852 1.00 0.78 H new ATOM 0 HG3 LYS A 53 -8.479 -8.684 -4.548 1.00 0.78 H new ATOM 0 HD2 LYS A 53 -9.554 -10.772 -4.282 1.00 1.12 H new ATOM 0 HD3 LYS A 53 -7.846 -11.160 -4.345 1.00 1.12 H new ATOM 0 HE2 LYS A 53 -7.741 -11.372 -1.916 1.00 1.37 H new ATOM 0 HE3 LYS A 53 -9.387 -10.792 -1.750 1.00 1.37 H new ATOM 0 HZ1 LYS A 53 -8.973 -13.296 -1.686 1.00 1.59 H new ATOM 0 HZ2 LYS A 53 -10.258 -12.736 -2.644 1.00 1.59 H new ATOM 0 HZ3 LYS A 53 -8.794 -13.196 -3.371 1.00 1.59 H new ATOM 746 N PHE A 54 -4.333 -6.893 -2.299 1.00 0.18 N ATOM 747 CA PHE A 54 -2.948 -6.561 -2.299 1.00 0.19 C ATOM 748 C PHE A 54 -2.154 -7.693 -1.705 1.00 0.20 C ATOM 749 O PHE A 54 -2.740 -8.680 -1.254 1.00 0.23 O ATOM 750 CB PHE A 54 -2.712 -5.253 -1.540 1.00 0.25 C ATOM 751 CG PHE A 54 -3.135 -4.044 -2.326 1.00 1.22 C ATOM 752 CD1 PHE A 54 -4.476 -3.724 -2.453 1.00 1.57 C ATOM 753 CD2 PHE A 54 -2.195 -3.220 -2.916 1.00 1.95 C ATOM 754 CE1 PHE A 54 -4.873 -2.605 -3.156 1.00 2.60 C ATOM 755 CE2 PHE A 54 -2.585 -2.101 -3.623 1.00 2.98 C ATOM 756 CZ PHE A 54 -3.909 -1.831 -3.811 1.00 3.31 C ATOM 0 H PHE A 54 -4.803 -6.745 -1.406 1.00 0.18 H new ATOM 0 HA PHE A 54 -2.613 -6.410 -3.325 1.00 0.19 H new ATOM 0 HB2 PHE A 54 -3.260 -5.280 -0.598 1.00 0.25 H new ATOM 0 HB3 PHE A 54 -1.654 -5.168 -1.291 1.00 0.25 H new ATOM 0 HD1 PHE A 54 -5.221 -4.358 -1.996 1.00 1.57 H new ATOM 0 HD2 PHE A 54 -1.145 -3.454 -2.823 1.00 1.95 H new ATOM 0 HE1 PHE A 54 -5.916 -2.330 -3.200 1.00 2.60 H new ATOM 0 HE2 PHE A 54 -1.838 -1.435 -4.030 1.00 2.98 H new ATOM 0 HZ PHE A 54 -4.211 -1.024 -4.462 1.00 3.31 H new ATOM 766 N ASP A 55 -0.836 -7.576 -1.800 1.00 0.21 N ATOM 767 CA ASP A 55 0.083 -8.548 -1.213 1.00 0.22 C ATOM 768 C ASP A 55 1.273 -7.849 -0.553 1.00 0.23 C ATOM 769 O ASP A 55 1.917 -7.013 -1.178 1.00 0.27 O ATOM 770 CB ASP A 55 0.561 -9.530 -2.283 1.00 0.24 C ATOM 771 CG ASP A 55 1.453 -10.619 -1.726 1.00 1.33 C ATOM 772 OD1 ASP A 55 0.929 -11.669 -1.303 1.00 1.89 O ATOM 773 OD2 ASP A 55 2.686 -10.439 -1.727 1.00 1.93 O ATOM 0 H ASP A 55 -0.373 -6.807 -2.285 1.00 0.21 H new ATOM 0 HA ASP A 55 -0.449 -9.102 -0.440 1.00 0.22 H new ATOM 0 HB2 ASP A 55 -0.305 -9.986 -2.763 1.00 0.24 H new ATOM 0 HB3 ASP A 55 1.102 -8.983 -3.055 1.00 0.24 H new ATOM 778 N MET A 56 1.535 -8.176 0.738 1.00 0.24 N ATOM 779 CA MET A 56 2.597 -7.526 1.494 1.00 0.25 C ATOM 780 C MET A 56 3.714 -8.478 1.802 1.00 0.25 C ATOM 781 O MET A 56 3.499 -9.628 2.188 1.00 0.30 O ATOM 782 CB MET A 56 2.085 -6.938 2.815 1.00 0.33 C ATOM 783 CG MET A 56 1.441 -5.568 2.694 1.00 0.97 C ATOM 784 SD MET A 56 1.126 -4.803 4.299 1.00 1.19 S ATOM 785 CE MET A 56 0.056 -6.017 5.068 1.00 1.85 C ATOM 0 H MET A 56 1.020 -8.884 1.261 1.00 0.24 H new ATOM 0 HA MET A 56 2.965 -6.719 0.861 1.00 0.25 H new ATOM 0 HB2 MET A 56 1.360 -7.628 3.247 1.00 0.33 H new ATOM 0 HB3 MET A 56 2.918 -6.872 3.514 1.00 0.33 H new ATOM 0 HG2 MET A 56 2.089 -4.917 2.107 1.00 0.97 H new ATOM 0 HG3 MET A 56 0.502 -5.659 2.149 1.00 0.97 H new ATOM 0 HE1 MET A 56 -0.829 -5.521 5.467 1.00 1.85 H new ATOM 0 HE2 MET A 56 -0.246 -6.757 4.327 1.00 1.85 H new ATOM 0 HE3 MET A 56 0.591 -6.512 5.878 1.00 1.85 H new ATOM 795 N GLY A 57 4.905 -7.989 1.628 1.00 0.26 N ATOM 796 CA GLY A 57 6.054 -8.654 2.120 1.00 0.32 C ATOM 797 C GLY A 57 7.003 -7.623 2.653 1.00 0.31 C ATOM 798 O GLY A 57 7.263 -6.631 1.974 1.00 0.35 O ATOM 0 H GLY A 57 5.098 -7.115 1.139 1.00 0.26 H new ATOM 0 HA2 GLY A 57 5.778 -9.358 2.905 1.00 0.32 H new ATOM 0 HA3 GLY A 57 6.528 -9.231 1.326 1.00 0.32 H new ATOM 802 N ALA A 58 7.494 -7.796 3.850 1.00 0.37 N ATOM 803 CA ALA A 58 8.352 -6.788 4.420 1.00 0.38 C ATOM 804 C ALA A 58 9.761 -7.043 3.951 1.00 0.42 C ATOM 805 O ALA A 58 10.155 -8.192 3.747 1.00 0.61 O ATOM 806 CB ALA A 58 8.280 -6.807 5.938 1.00 0.51 C ATOM 0 H ALA A 58 7.321 -8.608 4.442 1.00 0.37 H new ATOM 0 HA ALA A 58 8.024 -5.801 4.093 1.00 0.38 H new ATOM 0 HB1 ALA A 58 8.937 -6.037 6.343 1.00 0.51 H new ATOM 0 HB2 ALA A 58 7.255 -6.614 6.256 1.00 0.51 H new ATOM 0 HB3 ALA A 58 8.596 -7.783 6.305 1.00 0.51 H new ATOM 812 N TYR A 59 10.510 -5.991 3.720 1.00 0.45 N ATOM 813 CA TYR A 59 11.890 -6.183 3.290 1.00 0.61 C ATOM 814 C TYR A 59 12.844 -5.271 4.034 1.00 0.72 C ATOM 815 O TYR A 59 12.468 -4.180 4.463 1.00 0.81 O ATOM 816 CB TYR A 59 12.033 -6.067 1.772 1.00 0.93 C ATOM 817 CG TYR A 59 11.383 -4.874 1.118 1.00 1.64 C ATOM 818 CD1 TYR A 59 10.001 -4.771 1.047 1.00 2.01 C ATOM 819 CD2 TYR A 59 12.147 -3.826 0.626 1.00 2.54 C ATOM 820 CE1 TYR A 59 9.399 -3.656 0.505 1.00 3.08 C ATOM 821 CE2 TYR A 59 11.553 -2.715 0.072 1.00 3.70 C ATOM 822 CZ TYR A 59 10.198 -2.733 -0.183 1.00 3.92 C ATOM 823 OH TYR A 59 9.580 -1.513 -0.504 1.00 5.11 O ATOM 0 H TYR A 59 10.209 -5.021 3.816 1.00 0.45 H new ATOM 0 HA TYR A 59 12.171 -7.203 3.551 1.00 0.61 H new ATOM 0 HB2 TYR A 59 13.096 -6.050 1.531 1.00 0.93 H new ATOM 0 HB3 TYR A 59 11.619 -6.969 1.322 1.00 0.93 H new ATOM 0 HD1 TYR A 59 9.388 -5.577 1.422 1.00 2.01 H new ATOM 0 HD2 TYR A 59 13.224 -3.883 0.678 1.00 2.54 H new ATOM 0 HE1 TYR A 59 8.336 -3.497 0.608 1.00 3.08 H new ATOM 0 HE2 TYR A 59 12.141 -1.839 -0.160 1.00 3.70 H new ATOM 0 HH TYR A 59 8.607 -1.614 -0.446 1.00 5.11 H new ATOM 833 N LYS A 60 14.093 -5.715 4.182 1.00 0.92 N ATOM 834 CA LYS A 60 14.949 -5.120 5.199 1.00 1.13 C ATOM 835 C LYS A 60 16.389 -4.886 4.763 1.00 1.50 C ATOM 836 O LYS A 60 17.075 -5.785 4.270 1.00 1.77 O ATOM 837 CB LYS A 60 14.942 -5.986 6.456 1.00 1.30 C ATOM 838 CG LYS A 60 15.526 -5.283 7.670 1.00 1.66 C ATOM 839 CD LYS A 60 15.414 -6.137 8.919 1.00 2.14 C ATOM 840 CE LYS A 60 15.804 -5.357 10.165 1.00 2.79 C ATOM 841 NZ LYS A 60 14.973 -4.135 10.335 1.00 3.47 N ATOM 0 H LYS A 60 14.520 -6.459 3.630 1.00 0.92 H new ATOM 0 HA LYS A 60 14.525 -4.134 5.392 1.00 1.13 H new ATOM 0 HB2 LYS A 60 13.918 -6.287 6.676 1.00 1.30 H new ATOM 0 HB3 LYS A 60 15.508 -6.898 6.265 1.00 1.30 H new ATOM 0 HG2 LYS A 60 16.573 -5.045 7.484 1.00 1.66 H new ATOM 0 HG3 LYS A 60 15.007 -4.337 7.828 1.00 1.66 H new ATOM 0 HD2 LYS A 60 14.392 -6.501 9.022 1.00 2.14 H new ATOM 0 HD3 LYS A 60 16.056 -7.013 8.821 1.00 2.14 H new ATOM 0 HE2 LYS A 60 15.695 -5.995 11.042 1.00 2.79 H new ATOM 0 HE3 LYS A 60 16.855 -5.076 10.104 1.00 2.79 H new ATOM 0 HZ1 LYS A 60 14.709 -4.031 11.336 1.00 3.47 H new ATOM 0 HZ2 LYS A 60 15.516 -3.301 10.032 1.00 3.47 H new ATOM 0 HZ3 LYS A 60 14.112 -4.217 9.757 1.00 3.47 H new ATOM 855 N SER A 61 16.794 -3.641 4.919 1.00 1.67 N ATOM 856 CA SER A 61 18.183 -3.232 5.000 1.00 2.15 C ATOM 857 C SER A 61 18.210 -2.156 6.066 1.00 2.02 C ATOM 858 O SER A 61 17.156 -1.603 6.369 1.00 1.72 O ATOM 859 CB SER A 61 18.693 -2.685 3.659 1.00 2.67 C ATOM 860 OG SER A 61 17.910 -1.586 3.214 1.00 3.06 O ATOM 0 H SER A 61 16.143 -2.859 4.995 1.00 1.67 H new ATOM 0 HA SER A 61 18.834 -4.072 5.242 1.00 2.15 H new ATOM 0 HB2 SER A 61 19.733 -2.374 3.763 1.00 2.67 H new ATOM 0 HB3 SER A 61 18.671 -3.476 2.910 1.00 2.67 H new ATOM 0 HG SER A 61 18.260 -1.260 2.359 1.00 3.06 H new ATOM 866 N SER A 62 19.346 -1.832 6.652 1.00 2.37 N ATOM 867 CA SER A 62 19.333 -0.794 7.673 1.00 2.25 C ATOM 868 C SER A 62 19.453 0.578 7.029 1.00 2.37 C ATOM 869 O SER A 62 20.247 1.419 7.453 1.00 2.59 O ATOM 870 CB SER A 62 20.464 -1.013 8.675 1.00 2.65 C ATOM 871 OG SER A 62 20.338 -2.273 9.307 1.00 2.99 O ATOM 0 H SER A 62 20.255 -2.249 6.453 1.00 2.37 H new ATOM 0 HA SER A 62 18.385 -0.847 8.209 1.00 2.25 H new ATOM 0 HB2 SER A 62 21.425 -0.952 8.165 1.00 2.65 H new ATOM 0 HB3 SER A 62 20.450 -0.222 9.425 1.00 2.65 H new ATOM 0 HG SER A 62 21.073 -2.395 9.944 1.00 2.99 H new ATOM 877 N LYS A 63 18.651 0.792 5.995 1.00 2.37 N ATOM 878 CA LYS A 63 18.509 2.103 5.403 1.00 2.64 C ATOM 879 C LYS A 63 17.038 2.527 5.403 1.00 2.48 C ATOM 880 O LYS A 63 16.586 3.220 4.493 1.00 2.87 O ATOM 881 CB LYS A 63 19.069 2.105 3.973 1.00 3.20 C ATOM 882 CG LYS A 63 19.191 3.495 3.360 1.00 3.62 C ATOM 883 CD LYS A 63 19.494 3.429 1.872 1.00 4.18 C ATOM 884 CE LYS A 63 20.898 2.917 1.600 1.00 4.77 C ATOM 885 NZ LYS A 63 21.937 3.813 2.169 1.00 5.27 N ATOM 0 H LYS A 63 18.088 0.066 5.551 1.00 2.37 H new ATOM 0 HA LYS A 63 19.076 2.819 5.997 1.00 2.64 H new ATOM 0 HB2 LYS A 63 20.051 1.633 3.977 1.00 3.20 H new ATOM 0 HB3 LYS A 63 18.425 1.495 3.340 1.00 3.20 H new ATOM 0 HG2 LYS A 63 18.263 4.045 3.518 1.00 3.62 H new ATOM 0 HG3 LYS A 63 19.981 4.049 3.868 1.00 3.62 H new ATOM 0 HD2 LYS A 63 18.769 2.778 1.383 1.00 4.18 H new ATOM 0 HD3 LYS A 63 19.378 4.420 1.434 1.00 4.18 H new ATOM 0 HE2 LYS A 63 21.008 1.919 2.024 1.00 4.77 H new ATOM 0 HE3 LYS A 63 21.048 2.825 0.524 1.00 4.77 H new ATOM 0 HZ1 LYS A 63 22.853 3.613 1.718 1.00 5.27 H new ATOM 0 HZ2 LYS A 63 21.674 4.804 1.994 1.00 5.27 H new ATOM 0 HZ3 LYS A 63 22.013 3.650 3.193 1.00 5.27 H new ATOM 899 N ASP A 64 16.270 2.101 6.403 1.00 2.02 N ATOM 900 CA ASP A 64 14.920 2.633 6.546 1.00 2.02 C ATOM 901 C ASP A 64 15.027 3.993 7.232 1.00 2.36 C ATOM 902 O ASP A 64 15.776 4.863 6.788 1.00 2.81 O ATOM 903 CB ASP A 64 14.048 1.703 7.399 1.00 1.53 C ATOM 904 CG ASP A 64 13.967 0.270 6.891 1.00 1.63 C ATOM 905 OD1 ASP A 64 13.199 -0.001 5.941 1.00 1.88 O ATOM 906 OD2 ASP A 64 14.645 -0.603 7.479 1.00 1.89 O ATOM 0 H ASP A 64 16.547 1.413 7.103 1.00 2.02 H new ATOM 0 HA ASP A 64 14.457 2.720 5.563 1.00 2.02 H new ATOM 0 HB2 ASP A 64 14.438 1.693 8.417 1.00 1.53 H new ATOM 0 HB3 ASP A 64 13.040 2.115 7.448 1.00 1.53 H new ATOM 911 N ASP A 65 14.299 4.186 8.326 1.00 2.27 N ATOM 912 CA ASP A 65 14.691 5.179 9.316 1.00 2.65 C ATOM 913 C ASP A 65 14.729 4.555 10.709 1.00 2.35 C ATOM 914 O ASP A 65 15.777 4.152 11.217 1.00 2.28 O ATOM 915 CB ASP A 65 13.746 6.381 9.297 1.00 3.22 C ATOM 916 CG ASP A 65 14.101 7.398 10.360 1.00 3.59 C ATOM 917 OD1 ASP A 65 15.249 7.881 10.363 1.00 4.06 O ATOM 918 OD2 ASP A 65 13.227 7.730 11.186 1.00 3.75 O ATOM 0 H ASP A 65 13.445 3.675 8.547 1.00 2.27 H new ATOM 0 HA ASP A 65 15.690 5.532 9.061 1.00 2.65 H new ATOM 0 HB2 ASP A 65 13.781 6.855 8.316 1.00 3.22 H new ATOM 0 HB3 ASP A 65 12.722 6.040 9.449 1.00 3.22 H new ATOM 923 N ALA A 66 13.540 4.493 11.299 1.00 2.40 N ATOM 924 CA ALA A 66 13.265 3.782 12.539 1.00 2.34 C ATOM 925 C ALA A 66 12.031 2.926 12.320 1.00 2.24 C ATOM 926 O ALA A 66 11.346 2.518 13.257 1.00 2.63 O ATOM 927 CB ALA A 66 13.061 4.753 13.690 1.00 2.98 C ATOM 0 H ALA A 66 12.715 4.952 10.913 1.00 2.40 H new ATOM 0 HA ALA A 66 14.113 3.152 12.806 1.00 2.34 H new ATOM 0 HB1 ALA A 66 12.857 4.196 14.604 1.00 2.98 H new ATOM 0 HB2 ALA A 66 13.961 5.353 13.824 1.00 2.98 H new ATOM 0 HB3 ALA A 66 12.218 5.408 13.469 1.00 2.98 H new ATOM 933 N LYS A 67 11.763 2.671 11.050 1.00 1.96 N ATOM 934 CA LYS A 67 10.445 2.272 10.575 1.00 1.89 C ATOM 935 C LYS A 67 10.617 1.233 9.482 1.00 1.44 C ATOM 936 O LYS A 67 11.580 1.283 8.739 1.00 1.95 O ATOM 937 CB LYS A 67 9.703 3.496 10.014 1.00 2.82 C ATOM 938 CG LYS A 67 9.725 4.715 10.932 1.00 3.45 C ATOM 939 CD LYS A 67 9.040 5.916 10.292 1.00 4.32 C ATOM 940 CE LYS A 67 9.307 7.203 11.065 1.00 5.01 C ATOM 941 NZ LYS A 67 8.844 7.121 12.476 1.00 5.31 N ATOM 0 H LYS A 67 12.462 2.736 10.310 1.00 1.96 H new ATOM 0 HA LYS A 67 9.865 1.854 11.398 1.00 1.89 H new ATOM 0 HB2 LYS A 67 10.146 3.768 9.056 1.00 2.82 H new ATOM 0 HB3 LYS A 67 8.667 3.221 9.819 1.00 2.82 H new ATOM 0 HG2 LYS A 67 9.229 4.472 11.872 1.00 3.45 H new ATOM 0 HG3 LYS A 67 10.757 4.970 11.173 1.00 3.45 H new ATOM 0 HD2 LYS A 67 9.391 6.030 9.266 1.00 4.32 H new ATOM 0 HD3 LYS A 67 7.966 5.738 10.244 1.00 4.32 H new ATOM 0 HE2 LYS A 67 10.375 7.420 11.048 1.00 5.01 H new ATOM 0 HE3 LYS A 67 8.805 8.033 10.568 1.00 5.01 H new ATOM 0 HZ1 LYS A 67 8.969 8.045 12.937 1.00 5.31 H new ATOM 0 HZ2 LYS A 67 7.838 6.857 12.497 1.00 5.31 H new ATOM 0 HZ3 LYS A 67 9.401 6.403 12.983 1.00 5.31 H new ATOM 955 N ILE A 68 9.698 0.293 9.401 1.00 0.88 N ATOM 956 CA ILE A 68 9.905 -0.908 8.621 1.00 0.76 C ATOM 957 C ILE A 68 9.159 -0.822 7.323 1.00 0.43 C ATOM 958 O ILE A 68 8.100 -0.190 7.243 1.00 0.37 O ATOM 959 CB ILE A 68 9.453 -2.181 9.357 1.00 0.97 C ATOM 960 CG1 ILE A 68 7.982 -2.071 9.777 1.00 1.07 C ATOM 961 CG2 ILE A 68 10.342 -2.436 10.565 1.00 1.51 C ATOM 962 CD1 ILE A 68 7.430 -3.333 10.405 1.00 1.66 C ATOM 0 H ILE A 68 8.794 0.339 9.870 1.00 0.88 H new ATOM 0 HA ILE A 68 10.979 -0.977 8.446 1.00 0.76 H new ATOM 0 HB ILE A 68 9.547 -3.027 8.676 1.00 0.97 H new ATOM 0 HG12 ILE A 68 7.876 -1.248 10.484 1.00 1.07 H new ATOM 0 HG13 ILE A 68 7.382 -1.819 8.903 1.00 1.07 H new ATOM 0 HG21 ILE A 68 10.011 -3.340 11.076 1.00 1.51 H new ATOM 0 HG22 ILE A 68 11.374 -2.562 10.237 1.00 1.51 H new ATOM 0 HG23 ILE A 68 10.279 -1.589 11.248 1.00 1.51 H new ATOM 0 HD11 ILE A 68 6.386 -3.178 10.675 1.00 1.66 H new ATOM 0 HD12 ILE A 68 7.502 -4.155 9.693 1.00 1.66 H new ATOM 0 HD13 ILE A 68 8.004 -3.576 11.299 1.00 1.66 H new ATOM 974 N THR A 69 9.699 -1.472 6.321 1.00 0.47 N ATOM 975 CA THR A 69 9.160 -1.363 5.002 1.00 0.38 C ATOM 976 C THR A 69 8.447 -2.648 4.598 1.00 0.34 C ATOM 977 O THR A 69 8.978 -3.751 4.744 1.00 0.46 O ATOM 978 CB THR A 69 10.293 -1.074 4.006 1.00 0.55 C ATOM 979 OG1 THR A 69 10.919 0.176 4.324 1.00 1.50 O ATOM 980 CG2 THR A 69 9.770 -1.035 2.587 1.00 1.23 C ATOM 0 H THR A 69 10.513 -2.081 6.402 1.00 0.47 H new ATOM 0 HA THR A 69 8.438 -0.547 4.991 1.00 0.38 H new ATOM 0 HB THR A 69 11.025 -1.878 4.083 1.00 0.55 H new ATOM 0 HG1 THR A 69 11.720 0.013 4.864 1.00 1.50 H new ATOM 0 HG21 THR A 69 10.592 -0.829 1.902 1.00 1.23 H new ATOM 0 HG22 THR A 69 9.322 -1.997 2.338 1.00 1.23 H new ATOM 0 HG23 THR A 69 9.018 -0.251 2.498 1.00 1.23 H new ATOM 988 N VAL A 70 7.242 -2.476 4.081 1.00 0.27 N ATOM 989 CA VAL A 70 6.444 -3.561 3.541 1.00 0.28 C ATOM 990 C VAL A 70 6.111 -3.232 2.092 1.00 0.26 C ATOM 991 O VAL A 70 6.268 -2.076 1.674 1.00 0.29 O ATOM 992 CB VAL A 70 5.132 -3.766 4.339 1.00 0.33 C ATOM 993 CG1 VAL A 70 5.433 -4.052 5.803 1.00 0.98 C ATOM 994 CG2 VAL A 70 4.212 -2.559 4.205 1.00 1.06 C ATOM 0 H VAL A 70 6.785 -1.566 4.024 1.00 0.27 H new ATOM 0 HA VAL A 70 7.017 -4.485 3.613 1.00 0.28 H new ATOM 0 HB VAL A 70 4.616 -4.629 3.918 1.00 0.33 H new ATOM 0 HG11 VAL A 70 4.498 -4.193 6.346 1.00 0.98 H new ATOM 0 HG12 VAL A 70 6.037 -4.956 5.880 1.00 0.98 H new ATOM 0 HG13 VAL A 70 5.979 -3.212 6.233 1.00 0.98 H new ATOM 0 HG21 VAL A 70 3.299 -2.732 4.776 1.00 1.06 H new ATOM 0 HG22 VAL A 70 4.717 -1.672 4.588 1.00 1.06 H new ATOM 0 HG23 VAL A 70 3.960 -2.408 3.155 1.00 1.06 H new ATOM 1004 N ILE A 71 5.677 -4.236 1.339 1.00 0.25 N ATOM 1005 CA ILE A 71 5.335 -4.059 -0.067 1.00 0.28 C ATOM 1006 C ILE A 71 3.815 -4.024 -0.222 1.00 0.28 C ATOM 1007 O ILE A 71 3.117 -4.863 0.337 1.00 0.33 O ATOM 1008 CB ILE A 71 5.940 -5.220 -0.923 1.00 0.39 C ATOM 1009 CG1 ILE A 71 6.395 -4.723 -2.293 1.00 1.29 C ATOM 1010 CG2 ILE A 71 4.968 -6.372 -1.116 1.00 1.34 C ATOM 1011 CD1 ILE A 71 7.530 -3.732 -2.245 1.00 2.12 C ATOM 0 H ILE A 71 5.553 -5.188 1.682 1.00 0.25 H new ATOM 0 HA ILE A 71 5.753 -3.117 -0.421 1.00 0.28 H new ATOM 0 HB ILE A 71 6.799 -5.585 -0.360 1.00 0.39 H new ATOM 0 HG12 ILE A 71 6.700 -5.579 -2.895 1.00 1.29 H new ATOM 0 HG13 ILE A 71 5.547 -4.263 -2.800 1.00 1.29 H new ATOM 0 HG21 ILE A 71 5.440 -7.149 -1.717 1.00 1.34 H new ATOM 0 HG22 ILE A 71 4.692 -6.782 -0.144 1.00 1.34 H new ATOM 0 HG23 ILE A 71 4.074 -6.012 -1.625 1.00 1.34 H new ATOM 0 HD11 ILE A 71 7.792 -3.430 -3.259 1.00 2.12 H new ATOM 0 HD12 ILE A 71 7.224 -2.856 -1.673 1.00 2.12 H new ATOM 0 HD13 ILE A 71 8.395 -4.193 -1.769 1.00 2.12 H new ATOM 1023 N LEU A 72 3.285 -3.007 -0.887 1.00 0.28 N ATOM 1024 CA LEU A 72 1.871 -3.034 -1.250 1.00 0.29 C ATOM 1025 C LEU A 72 1.705 -3.227 -2.762 1.00 0.27 C ATOM 1026 O LEU A 72 2.002 -2.332 -3.552 1.00 0.30 O ATOM 1027 CB LEU A 72 1.176 -1.750 -0.788 1.00 0.33 C ATOM 1028 CG LEU A 72 -0.330 -1.879 -0.543 1.00 0.37 C ATOM 1029 CD1 LEU A 72 -0.604 -2.835 0.608 1.00 0.79 C ATOM 1030 CD2 LEU A 72 -0.941 -0.516 -0.258 1.00 0.88 C ATOM 0 H LEU A 72 3.794 -2.173 -1.181 1.00 0.28 H new ATOM 0 HA LEU A 72 1.401 -3.879 -0.746 1.00 0.29 H new ATOM 0 HB2 LEU A 72 1.650 -1.409 0.132 1.00 0.33 H new ATOM 0 HB3 LEU A 72 1.342 -0.976 -1.537 1.00 0.33 H new ATOM 0 HG LEU A 72 -0.791 -2.284 -1.444 1.00 0.37 H new ATOM 0 HD11 LEU A 72 -1.679 -2.914 0.767 1.00 0.79 H new ATOM 0 HD12 LEU A 72 -0.200 -3.818 0.368 1.00 0.79 H new ATOM 0 HD13 LEU A 72 -0.130 -2.459 1.514 1.00 0.79 H new ATOM 0 HD21 LEU A 72 -2.012 -0.626 -0.086 1.00 0.88 H new ATOM 0 HD22 LEU A 72 -0.474 -0.086 0.628 1.00 0.88 H new ATOM 0 HD23 LEU A 72 -0.776 0.142 -1.111 1.00 0.88 H new ATOM 1042 N ARG A 73 1.189 -4.378 -3.151 1.00 0.24 N ATOM 1043 CA ARG A 73 0.979 -4.709 -4.562 1.00 0.24 C ATOM 1044 C ARG A 73 -0.360 -5.371 -4.730 1.00 0.21 C ATOM 1045 O ARG A 73 -0.832 -5.968 -3.800 1.00 0.24 O ATOM 1046 CB ARG A 73 2.036 -5.689 -5.041 1.00 0.28 C ATOM 1047 CG ARG A 73 2.019 -7.014 -4.289 1.00 0.43 C ATOM 1048 CD ARG A 73 2.764 -8.084 -5.077 1.00 0.58 C ATOM 1049 NE ARG A 73 3.023 -9.288 -4.290 1.00 0.91 N ATOM 1050 CZ ARG A 73 3.598 -10.392 -4.770 1.00 1.04 C ATOM 1051 NH1 ARG A 73 4.018 -10.446 -6.031 1.00 1.27 N ATOM 1052 NH2 ARG A 73 3.763 -11.436 -3.972 1.00 1.67 N ATOM 0 H ARG A 73 0.902 -5.113 -2.505 1.00 0.24 H new ATOM 0 HA ARG A 73 1.034 -3.785 -5.138 1.00 0.24 H new ATOM 0 HB2 ARG A 73 1.888 -5.881 -6.104 1.00 0.28 H new ATOM 0 HB3 ARG A 73 3.020 -5.232 -4.934 1.00 0.28 H new ATOM 0 HG2 ARG A 73 2.480 -6.889 -3.309 1.00 0.43 H new ATOM 0 HG3 ARG A 73 0.990 -7.329 -4.119 1.00 0.43 H new ATOM 0 HD2 ARG A 73 2.182 -8.350 -5.960 1.00 0.58 H new ATOM 0 HD3 ARG A 73 3.711 -7.676 -5.431 1.00 0.58 H new ATOM 0 HE ARG A 73 2.746 -9.284 -3.308 1.00 0.91 H new ATOM 0 HH11 ARG A 73 3.902 -9.638 -6.642 1.00 1.27 H new ATOM 0 HH12 ARG A 73 4.456 -11.296 -6.387 1.00 1.27 H new ATOM 0 HH21 ARG A 73 3.452 -11.391 -3.002 1.00 1.67 H new ATOM 0 HH22 ARG A 73 4.201 -12.286 -4.328 1.00 1.67 H new ATOM 1066 N ILE A 74 -0.972 -5.301 -5.891 1.00 0.22 N ATOM 1067 CA ILE A 74 -2.137 -6.122 -6.128 1.00 0.24 C ATOM 1068 C ILE A 74 -1.673 -7.513 -6.544 1.00 0.27 C ATOM 1069 O ILE A 74 -0.823 -7.653 -7.404 1.00 0.30 O ATOM 1070 CB ILE A 74 -3.081 -5.527 -7.190 1.00 0.31 C ATOM 1071 CG1 ILE A 74 -2.384 -5.385 -8.547 1.00 1.14 C ATOM 1072 CG2 ILE A 74 -3.609 -4.180 -6.720 1.00 1.30 C ATOM 1073 CD1 ILE A 74 -3.307 -4.940 -9.662 1.00 1.81 C ATOM 0 H ILE A 74 -0.692 -4.701 -6.667 1.00 0.22 H new ATOM 0 HA ILE A 74 -2.713 -6.170 -5.204 1.00 0.24 H new ATOM 0 HB ILE A 74 -3.917 -6.214 -7.321 1.00 0.31 H new ATOM 0 HG12 ILE A 74 -1.569 -4.667 -8.454 1.00 1.14 H new ATOM 0 HG13 ILE A 74 -1.937 -6.341 -8.818 1.00 1.14 H new ATOM 0 HG21 ILE A 74 -4.276 -3.766 -7.477 1.00 1.30 H new ATOM 0 HG22 ILE A 74 -4.156 -4.309 -5.786 1.00 1.30 H new ATOM 0 HG23 ILE A 74 -2.774 -3.498 -6.560 1.00 1.30 H new ATOM 0 HD11 ILE A 74 -2.743 -4.862 -10.592 1.00 1.81 H new ATOM 0 HD12 ILE A 74 -4.108 -5.669 -9.784 1.00 1.81 H new ATOM 0 HD13 ILE A 74 -3.735 -3.969 -9.414 1.00 1.81 H new ATOM 1085 N SER A 75 -2.166 -8.528 -5.854 1.00 0.30 N ATOM 1086 CA SER A 75 -1.788 -9.916 -6.116 1.00 0.38 C ATOM 1087 C SER A 75 -1.946 -10.296 -7.593 1.00 0.44 C ATOM 1088 O SER A 75 -1.297 -11.225 -8.076 1.00 0.50 O ATOM 1089 CB SER A 75 -2.593 -10.866 -5.224 1.00 0.47 C ATOM 1090 OG SER A 75 -3.988 -10.718 -5.419 1.00 1.16 O ATOM 0 H SER A 75 -2.839 -8.418 -5.096 1.00 0.30 H new ATOM 0 HA SER A 75 -0.729 -10.013 -5.875 1.00 0.38 H new ATOM 0 HB2 SER A 75 -2.304 -11.895 -5.436 1.00 0.47 H new ATOM 0 HB3 SER A 75 -2.350 -10.676 -4.179 1.00 0.47 H new ATOM 0 HG SER A 75 -4.437 -11.569 -5.231 1.00 1.16 H new ATOM 1096 N LYS A 76 -2.812 -9.576 -8.301 1.00 0.45 N ATOM 1097 CA LYS A 76 -3.218 -9.970 -9.645 1.00 0.54 C ATOM 1098 C LYS A 76 -2.202 -9.559 -10.721 1.00 0.55 C ATOM 1099 O LYS A 76 -1.721 -10.399 -11.481 1.00 0.61 O ATOM 1100 CB LYS A 76 -4.560 -9.308 -9.932 1.00 0.60 C ATOM 1101 CG LYS A 76 -5.650 -9.690 -8.938 1.00 1.21 C ATOM 1102 CD LYS A 76 -5.835 -11.197 -8.851 1.00 1.70 C ATOM 1103 CE LYS A 76 -6.865 -11.579 -7.794 1.00 2.16 C ATOM 1104 NZ LYS A 76 -8.234 -11.115 -8.148 1.00 2.51 N ATOM 0 H LYS A 76 -3.246 -8.716 -7.965 1.00 0.45 H new ATOM 0 HA LYS A 76 -3.284 -11.057 -9.682 1.00 0.54 H new ATOM 0 HB2 LYS A 76 -4.432 -8.226 -9.921 1.00 0.60 H new ATOM 0 HB3 LYS A 76 -4.883 -9.581 -10.937 1.00 0.60 H new ATOM 0 HG2 LYS A 76 -5.397 -9.298 -7.953 1.00 1.21 H new ATOM 0 HG3 LYS A 76 -6.590 -9.225 -9.234 1.00 1.21 H new ATOM 0 HD2 LYS A 76 -6.150 -11.582 -9.821 1.00 1.70 H new ATOM 0 HD3 LYS A 76 -4.880 -11.668 -8.616 1.00 1.70 H new ATOM 0 HE2 LYS A 76 -6.871 -12.662 -7.670 1.00 2.16 H new ATOM 0 HE3 LYS A 76 -6.575 -11.150 -6.835 1.00 2.16 H new ATOM 0 HZ1 LYS A 76 -8.913 -11.469 -7.445 1.00 2.51 H new ATOM 0 HZ2 LYS A 76 -8.256 -10.075 -8.158 1.00 2.51 H new ATOM 0 HZ3 LYS A 76 -8.490 -11.476 -9.089 1.00 2.51 H new ATOM 1118 N THR A 77 -1.892 -8.277 -10.783 1.00 0.51 N ATOM 1119 CA THR A 77 -0.873 -7.753 -11.689 1.00 0.53 C ATOM 1120 C THR A 77 0.284 -7.251 -10.834 1.00 0.47 C ATOM 1121 O THR A 77 0.123 -7.143 -9.634 1.00 0.46 O ATOM 1122 CB THR A 77 -1.457 -6.604 -12.543 1.00 0.62 C ATOM 1123 OG1 THR A 77 -2.765 -6.968 -13.018 1.00 1.45 O ATOM 1124 CG2 THR A 77 -0.569 -6.293 -13.737 1.00 1.29 C ATOM 0 H THR A 77 -2.338 -7.563 -10.207 1.00 0.51 H new ATOM 0 HA THR A 77 -0.529 -8.529 -12.373 1.00 0.53 H new ATOM 0 HB THR A 77 -1.516 -5.717 -11.912 1.00 0.62 H new ATOM 0 HG1 THR A 77 -2.873 -6.664 -13.943 1.00 1.45 H new ATOM 0 HG21 THR A 77 -1.009 -5.481 -14.316 1.00 1.29 H new ATOM 0 HG22 THR A 77 0.420 -5.996 -13.387 1.00 1.29 H new ATOM 0 HG23 THR A 77 -0.480 -7.179 -14.365 1.00 1.29 H new ATOM 1132 N GLN A 78 1.431 -6.893 -11.389 1.00 0.50 N ATOM 1133 CA GLN A 78 2.471 -6.380 -10.515 1.00 0.49 C ATOM 1134 C GLN A 78 2.442 -4.867 -10.567 1.00 0.46 C ATOM 1135 O GLN A 78 3.326 -4.200 -11.111 1.00 0.48 O ATOM 1136 CB GLN A 78 3.853 -6.915 -10.905 1.00 0.59 C ATOM 1137 CG GLN A 78 4.022 -8.416 -10.692 1.00 1.49 C ATOM 1138 CD GLN A 78 3.527 -8.882 -9.332 1.00 2.14 C ATOM 1139 OE1 GLN A 78 4.251 -8.827 -8.340 1.00 2.69 O ATOM 1140 NE2 GLN A 78 2.303 -9.385 -9.287 1.00 2.90 N ATOM 0 H GLN A 78 1.658 -6.943 -12.382 1.00 0.50 H new ATOM 0 HA GLN A 78 2.281 -6.719 -9.497 1.00 0.49 H new ATOM 0 HB2 GLN A 78 4.037 -6.685 -11.954 1.00 0.59 H new ATOM 0 HB3 GLN A 78 4.611 -6.389 -10.325 1.00 0.59 H new ATOM 0 HG2 GLN A 78 3.481 -8.951 -11.472 1.00 1.49 H new ATOM 0 HG3 GLN A 78 5.075 -8.676 -10.798 1.00 1.49 H new ATOM 0 HE21 GLN A 78 1.732 -9.414 -10.132 1.00 2.90 H new ATOM 0 HE22 GLN A 78 1.931 -9.744 -8.408 1.00 2.90 H new ATOM 1149 N LEU A 79 1.398 -4.350 -9.939 1.00 0.46 N ATOM 1150 CA LEU A 79 1.169 -2.932 -9.819 1.00 0.45 C ATOM 1151 C LEU A 79 1.628 -2.478 -8.448 1.00 0.42 C ATOM 1152 O LEU A 79 1.107 -2.940 -7.429 1.00 0.54 O ATOM 1153 CB LEU A 79 -0.317 -2.635 -10.025 1.00 0.59 C ATOM 1154 CG LEU A 79 -0.667 -1.175 -10.294 1.00 0.95 C ATOM 1155 CD1 LEU A 79 0.034 -0.686 -11.553 1.00 1.95 C ATOM 1156 CD2 LEU A 79 -2.174 -1.022 -10.418 1.00 1.61 C ATOM 0 H LEU A 79 0.678 -4.919 -9.493 1.00 0.46 H new ATOM 0 HA LEU A 79 1.733 -2.390 -10.578 1.00 0.45 H new ATOM 0 HB2 LEU A 79 -0.677 -3.236 -10.860 1.00 0.59 H new ATOM 0 HB3 LEU A 79 -0.861 -2.963 -9.139 1.00 0.59 H new ATOM 0 HG LEU A 79 -0.323 -0.565 -9.459 1.00 0.95 H new ATOM 0 HD11 LEU A 79 -0.225 0.357 -11.732 1.00 1.95 H new ATOM 0 HD12 LEU A 79 1.113 -0.775 -11.427 1.00 1.95 H new ATOM 0 HD13 LEU A 79 -0.283 -1.290 -12.404 1.00 1.95 H new ATOM 0 HD21 LEU A 79 -2.419 0.023 -10.610 1.00 1.61 H new ATOM 0 HD22 LEU A 79 -2.536 -1.637 -11.242 1.00 1.61 H new ATOM 0 HD23 LEU A 79 -2.650 -1.342 -9.491 1.00 1.61 H new ATOM 1168 N TYR A 80 2.601 -1.594 -8.414 1.00 0.34 N ATOM 1169 CA TYR A 80 3.205 -1.187 -7.166 1.00 0.38 C ATOM 1170 C TYR A 80 2.758 0.201 -6.772 1.00 0.34 C ATOM 1171 O TYR A 80 2.369 1.009 -7.609 1.00 0.45 O ATOM 1172 CB TYR A 80 4.732 -1.259 -7.261 1.00 0.60 C ATOM 1173 CG TYR A 80 5.279 -2.584 -6.805 1.00 1.27 C ATOM 1174 CD1 TYR A 80 4.477 -3.715 -6.753 1.00 2.27 C ATOM 1175 CD2 TYR A 80 6.617 -2.712 -6.472 1.00 1.56 C ATOM 1176 CE1 TYR A 80 5.002 -4.937 -6.385 1.00 3.30 C ATOM 1177 CE2 TYR A 80 7.143 -3.922 -6.096 1.00 2.49 C ATOM 1178 CZ TYR A 80 6.235 -5.007 -5.873 1.00 3.33 C ATOM 1179 OH TYR A 80 6.872 -6.236 -5.717 1.00 4.39 O ATOM 0 H TYR A 80 2.992 -1.142 -9.241 1.00 0.34 H new ATOM 0 HA TYR A 80 2.874 -1.877 -6.389 1.00 0.38 H new ATOM 0 HB2 TYR A 80 5.037 -1.080 -8.292 1.00 0.60 H new ATOM 0 HB3 TYR A 80 5.168 -0.463 -6.657 1.00 0.60 H new ATOM 0 HD1 TYR A 80 3.429 -3.638 -7.004 1.00 2.27 H new ATOM 0 HD2 TYR A 80 7.258 -1.844 -6.509 1.00 1.56 H new ATOM 0 HE1 TYR A 80 4.417 -5.836 -6.511 1.00 3.30 H new ATOM 0 HE2 TYR A 80 8.208 -4.052 -5.972 1.00 2.49 H new ATOM 0 HH TYR A 80 7.777 -6.185 -6.089 1.00 4.39 H new ATOM 1189 N VAL A 81 2.796 0.456 -5.487 1.00 0.32 N ATOM 1190 CA VAL A 81 2.433 1.747 -4.952 1.00 0.32 C ATOM 1191 C VAL A 81 3.625 2.680 -4.982 1.00 0.32 C ATOM 1192 O VAL A 81 4.642 2.406 -4.354 1.00 0.36 O ATOM 1193 CB VAL A 81 1.923 1.627 -3.503 1.00 0.36 C ATOM 1194 CG1 VAL A 81 1.512 2.975 -2.952 1.00 0.46 C ATOM 1195 CG2 VAL A 81 0.766 0.644 -3.421 1.00 0.38 C ATOM 0 H VAL A 81 3.079 -0.225 -4.782 1.00 0.32 H new ATOM 0 HA VAL A 81 1.633 2.149 -5.574 1.00 0.32 H new ATOM 0 HB VAL A 81 2.743 1.250 -2.892 1.00 0.36 H new ATOM 0 HG11 VAL A 81 1.157 2.857 -1.928 1.00 0.46 H new ATOM 0 HG12 VAL A 81 2.368 3.649 -2.963 1.00 0.46 H new ATOM 0 HG13 VAL A 81 0.714 3.392 -3.567 1.00 0.46 H new ATOM 0 HG21 VAL A 81 0.421 0.574 -2.390 1.00 0.38 H new ATOM 0 HG22 VAL A 81 -0.051 0.990 -4.054 1.00 0.38 H new ATOM 0 HG23 VAL A 81 1.098 -0.337 -3.760 1.00 0.38 H new ATOM 1205 N THR A 82 3.517 3.766 -5.723 1.00 0.32 N ATOM 1206 CA THR A 82 4.567 4.755 -5.718 1.00 0.32 C ATOM 1207 C THR A 82 4.158 5.879 -4.796 1.00 0.31 C ATOM 1208 O THR A 82 2.987 6.265 -4.730 1.00 0.32 O ATOM 1209 CB THR A 82 4.879 5.315 -7.134 1.00 0.32 C ATOM 1210 OG1 THR A 82 6.260 5.678 -7.252 1.00 1.22 O ATOM 1211 CG2 THR A 82 4.064 6.550 -7.449 1.00 1.37 C ATOM 0 H THR A 82 2.723 3.981 -6.327 1.00 0.32 H new ATOM 0 HA THR A 82 5.482 4.275 -5.370 1.00 0.32 H new ATOM 0 HB THR A 82 4.627 4.517 -7.832 1.00 0.32 H new ATOM 0 HG1 THR A 82 6.431 6.026 -8.152 1.00 1.22 H new ATOM 0 HG21 THR A 82 4.315 6.906 -8.448 1.00 1.37 H new ATOM 0 HG22 THR A 82 3.003 6.306 -7.407 1.00 1.37 H new ATOM 0 HG23 THR A 82 4.287 7.329 -6.719 1.00 1.37 H new ATOM 1219 N ALA A 83 5.108 6.360 -4.048 1.00 0.33 N ATOM 1220 CA ALA A 83 4.855 7.458 -3.153 1.00 0.32 C ATOM 1221 C ALA A 83 5.378 8.751 -3.752 1.00 0.27 C ATOM 1222 O ALA A 83 6.576 8.896 -4.006 1.00 0.31 O ATOM 1223 CB ALA A 83 5.471 7.191 -1.788 1.00 0.41 C ATOM 0 H ALA A 83 6.066 6.011 -4.038 1.00 0.33 H new ATOM 0 HA ALA A 83 3.779 7.559 -3.014 1.00 0.32 H new ATOM 0 HB1 ALA A 83 5.268 8.033 -1.126 1.00 0.41 H new ATOM 0 HB2 ALA A 83 5.038 6.285 -1.365 1.00 0.41 H new ATOM 0 HB3 ALA A 83 6.548 7.064 -1.894 1.00 0.41 H new ATOM 1229 N GLN A 84 4.466 9.680 -3.981 1.00 0.25 N ATOM 1230 CA GLN A 84 4.801 10.938 -4.618 1.00 0.26 C ATOM 1231 C GLN A 84 5.109 11.979 -3.552 1.00 0.25 C ATOM 1232 O GLN A 84 6.123 11.869 -2.880 1.00 0.28 O ATOM 1233 CB GLN A 84 3.702 11.391 -5.580 1.00 0.33 C ATOM 1234 CG GLN A 84 4.188 12.371 -6.637 1.00 0.77 C ATOM 1235 CD GLN A 84 5.433 11.889 -7.367 1.00 1.32 C ATOM 1236 OE1 GLN A 84 5.350 11.181 -8.370 1.00 2.05 O ATOM 1237 NE2 GLN A 84 6.597 12.290 -6.879 1.00 2.02 N ATOM 0 H GLN A 84 3.481 9.584 -3.733 1.00 0.25 H new ATOM 0 HA GLN A 84 5.694 10.804 -5.229 1.00 0.26 H new ATOM 0 HB2 GLN A 84 3.279 10.516 -6.074 1.00 0.33 H new ATOM 0 HB3 GLN A 84 2.898 11.854 -5.008 1.00 0.33 H new ATOM 0 HG2 GLN A 84 3.391 12.540 -7.361 1.00 0.77 H new ATOM 0 HG3 GLN A 84 4.399 13.331 -6.165 1.00 0.77 H new ATOM 0 HE21 GLN A 84 6.626 12.877 -6.045 1.00 2.02 H new ATOM 0 HE22 GLN A 84 7.465 12.012 -7.337 1.00 2.02 H new ATOM 1246 N ASP A 85 4.288 13.006 -3.407 1.00 0.24 N ATOM 1247 CA ASP A 85 4.527 13.963 -2.324 1.00 0.28 C ATOM 1248 C ASP A 85 3.231 14.434 -1.679 1.00 0.26 C ATOM 1249 O ASP A 85 2.494 15.233 -2.261 1.00 0.27 O ATOM 1250 CB ASP A 85 5.315 15.167 -2.836 1.00 0.34 C ATOM 1251 CG ASP A 85 5.770 16.076 -1.713 1.00 0.44 C ATOM 1252 OD1 ASP A 85 6.830 15.813 -1.116 1.00 0.53 O ATOM 1253 OD2 ASP A 85 5.057 17.055 -1.415 1.00 0.56 O ATOM 0 H ASP A 85 3.479 13.201 -3.997 1.00 0.24 H new ATOM 0 HA ASP A 85 5.110 13.444 -1.563 1.00 0.28 H new ATOM 0 HB2 ASP A 85 6.184 14.819 -3.394 1.00 0.34 H new ATOM 0 HB3 ASP A 85 4.696 15.734 -3.532 1.00 0.34 H new ATOM 1258 N GLU A 86 2.972 13.921 -0.469 1.00 0.27 N ATOM 1259 CA GLU A 86 1.840 14.342 0.357 1.00 0.29 C ATOM 1260 C GLU A 86 0.563 14.315 -0.475 1.00 0.22 C ATOM 1261 O GLU A 86 0.369 13.344 -1.182 1.00 0.19 O ATOM 1262 CB GLU A 86 2.157 15.687 1.010 1.00 0.40 C ATOM 1263 CG GLU A 86 1.078 16.250 1.923 1.00 0.51 C ATOM 1264 CD GLU A 86 1.567 17.439 2.723 1.00 0.78 C ATOM 1265 OE1 GLU A 86 1.879 18.477 2.109 1.00 1.62 O ATOM 1266 OE2 GLU A 86 1.627 17.347 3.967 1.00 1.04 O ATOM 0 H GLU A 86 3.547 13.198 -0.036 1.00 0.27 H new ATOM 0 HA GLU A 86 1.667 13.649 1.181 1.00 0.29 H new ATOM 0 HB2 GLU A 86 3.076 15.582 1.587 1.00 0.40 H new ATOM 0 HB3 GLU A 86 2.356 16.414 0.223 1.00 0.40 H new ATOM 0 HG2 GLU A 86 0.217 16.547 1.324 1.00 0.51 H new ATOM 0 HG3 GLU A 86 0.739 15.470 2.605 1.00 0.51 H new ATOM 1273 N ASP A 87 -0.290 15.344 -0.440 1.00 0.22 N ATOM 1274 CA ASP A 87 -1.520 15.303 -1.214 1.00 0.20 C ATOM 1275 C ASP A 87 -1.207 15.431 -2.688 1.00 0.23 C ATOM 1276 O ASP A 87 -1.340 16.484 -3.313 1.00 0.30 O ATOM 1277 CB ASP A 87 -2.533 16.358 -0.779 1.00 0.28 C ATOM 1278 CG ASP A 87 -3.911 16.068 -1.360 1.00 0.33 C ATOM 1279 OD1 ASP A 87 -4.481 14.997 -1.055 1.00 0.56 O ATOM 1280 OD2 ASP A 87 -4.433 16.905 -2.120 1.00 0.61 O ATOM 0 H ASP A 87 -0.151 16.195 0.105 1.00 0.22 H new ATOM 0 HA ASP A 87 -1.988 14.337 -1.025 1.00 0.20 H new ATOM 0 HB2 ASP A 87 -2.592 16.383 0.309 1.00 0.28 H new ATOM 0 HB3 ASP A 87 -2.198 17.343 -1.103 1.00 0.28 H new ATOM 1285 N GLN A 88 -0.760 14.318 -3.203 1.00 0.19 N ATOM 1286 CA GLN A 88 -0.531 14.103 -4.601 1.00 0.24 C ATOM 1287 C GLN A 88 -0.696 12.621 -4.790 1.00 0.21 C ATOM 1288 O GLN A 88 0.010 11.839 -4.152 1.00 0.19 O ATOM 1289 CB GLN A 88 0.870 14.577 -4.999 1.00 0.32 C ATOM 1290 CG GLN A 88 1.191 14.389 -6.470 1.00 1.03 C ATOM 1291 CD GLN A 88 2.443 15.133 -6.894 1.00 1.28 C ATOM 1292 OE1 GLN A 88 3.357 15.359 -6.093 1.00 1.89 O ATOM 1293 NE2 GLN A 88 2.502 15.511 -8.157 1.00 1.93 N ATOM 0 H GLN A 88 -0.537 13.502 -2.633 1.00 0.19 H new ATOM 0 HA GLN A 88 -1.220 14.665 -5.231 1.00 0.24 H new ATOM 0 HB2 GLN A 88 0.970 15.633 -4.748 1.00 0.32 H new ATOM 0 HB3 GLN A 88 1.607 14.037 -4.405 1.00 0.32 H new ATOM 0 HG2 GLN A 88 1.317 13.326 -6.678 1.00 1.03 H new ATOM 0 HG3 GLN A 88 0.348 14.733 -7.069 1.00 1.03 H new ATOM 0 HE21 GLN A 88 1.727 15.306 -8.787 1.00 1.93 H new ATOM 0 HE22 GLN A 88 3.323 16.008 -8.503 1.00 1.93 H new ATOM 1302 N PRO A 89 -1.635 12.210 -5.641 1.00 0.24 N ATOM 1303 CA PRO A 89 -2.176 10.861 -5.581 1.00 0.24 C ATOM 1304 C PRO A 89 -1.115 9.802 -5.779 1.00 0.21 C ATOM 1305 O PRO A 89 -0.120 10.012 -6.474 1.00 0.22 O ATOM 1306 CB PRO A 89 -3.196 10.823 -6.729 1.00 0.33 C ATOM 1307 CG PRO A 89 -2.839 11.968 -7.614 1.00 0.58 C ATOM 1308 CD PRO A 89 -2.237 13.010 -6.716 1.00 0.33 C ATOM 0 HA PRO A 89 -2.611 10.646 -4.605 1.00 0.24 H new ATOM 0 HB2 PRO A 89 -3.144 9.878 -7.269 1.00 0.33 H new ATOM 0 HB3 PRO A 89 -4.214 10.920 -6.353 1.00 0.33 H new ATOM 0 HG2 PRO A 89 -2.132 11.661 -8.384 1.00 0.58 H new ATOM 0 HG3 PRO A 89 -3.720 12.355 -8.126 1.00 0.58 H new ATOM 0 HD2 PRO A 89 -1.492 13.611 -7.238 1.00 0.33 H new ATOM 0 HD3 PRO A 89 -2.991 13.698 -6.334 1.00 0.33 H new ATOM 1316 N VAL A 90 -1.344 8.669 -5.142 1.00 0.23 N ATOM 1317 CA VAL A 90 -0.483 7.522 -5.293 1.00 0.24 C ATOM 1318 C VAL A 90 -0.479 7.088 -6.744 1.00 0.24 C ATOM 1319 O VAL A 90 -1.534 6.831 -7.323 1.00 0.28 O ATOM 1320 CB VAL A 90 -0.976 6.356 -4.419 1.00 0.36 C ATOM 1321 CG1 VAL A 90 -0.196 5.090 -4.718 1.00 1.31 C ATOM 1322 CG2 VAL A 90 -0.880 6.722 -2.947 1.00 1.10 C ATOM 0 H VAL A 90 -2.130 8.523 -4.509 1.00 0.23 H new ATOM 0 HA VAL A 90 0.524 7.796 -4.979 1.00 0.24 H new ATOM 0 HB VAL A 90 -2.023 6.165 -4.656 1.00 0.36 H new ATOM 0 HG11 VAL A 90 -0.562 4.280 -4.088 1.00 1.31 H new ATOM 0 HG12 VAL A 90 -0.326 4.822 -5.766 1.00 1.31 H new ATOM 0 HG13 VAL A 90 0.862 5.258 -4.515 1.00 1.31 H new ATOM 0 HG21 VAL A 90 -1.232 5.887 -2.341 1.00 1.10 H new ATOM 0 HG22 VAL A 90 0.157 6.942 -2.694 1.00 1.10 H new ATOM 0 HG23 VAL A 90 -1.496 7.599 -2.749 1.00 1.10 H new ATOM 1332 N LEU A 91 0.702 7.012 -7.333 1.00 0.22 N ATOM 1333 CA LEU A 91 0.798 6.731 -8.742 1.00 0.24 C ATOM 1334 C LEU A 91 1.110 5.264 -8.890 1.00 0.26 C ATOM 1335 O LEU A 91 1.834 4.700 -8.071 1.00 0.33 O ATOM 1336 CB LEU A 91 1.855 7.612 -9.412 1.00 0.30 C ATOM 1337 CG LEU A 91 1.725 9.114 -9.130 1.00 0.31 C ATOM 1338 CD1 LEU A 91 2.840 9.876 -9.827 1.00 0.42 C ATOM 1339 CD2 LEU A 91 0.367 9.628 -9.590 1.00 0.34 C ATOM 0 H LEU A 91 1.595 7.140 -6.858 1.00 0.22 H new ATOM 0 HA LEU A 91 -0.143 6.960 -9.243 1.00 0.24 H new ATOM 0 HB2 LEU A 91 2.841 7.281 -9.086 1.00 0.30 H new ATOM 0 HB3 LEU A 91 1.806 7.455 -10.490 1.00 0.30 H new ATOM 0 HG LEU A 91 1.808 9.274 -8.055 1.00 0.31 H new ATOM 0 HD11 LEU A 91 2.738 10.941 -9.620 1.00 0.42 H new ATOM 0 HD12 LEU A 91 3.805 9.526 -9.460 1.00 0.42 H new ATOM 0 HD13 LEU A 91 2.779 9.708 -10.902 1.00 0.42 H new ATOM 0 HD21 LEU A 91 0.292 10.695 -9.382 1.00 0.34 H new ATOM 0 HD22 LEU A 91 0.258 9.459 -10.661 1.00 0.34 H new ATOM 0 HD23 LEU A 91 -0.422 9.098 -9.056 1.00 0.34 H new ATOM 1351 N LEU A 92 0.560 4.619 -9.886 1.00 0.27 N ATOM 1352 CA LEU A 92 0.657 3.187 -9.930 1.00 0.28 C ATOM 1353 C LEU A 92 1.855 2.789 -10.773 1.00 0.29 C ATOM 1354 O LEU A 92 1.844 2.804 -12.003 1.00 0.31 O ATOM 1355 CB LEU A 92 -0.648 2.593 -10.455 1.00 0.32 C ATOM 1356 CG LEU A 92 -1.875 2.892 -9.581 1.00 0.76 C ATOM 1357 CD1 LEU A 92 -3.136 2.301 -10.191 1.00 1.15 C ATOM 1358 CD2 LEU A 92 -1.666 2.361 -8.169 1.00 1.30 C ATOM 0 H LEU A 92 0.053 5.051 -10.659 1.00 0.27 H new ATOM 0 HA LEU A 92 0.811 2.788 -8.928 1.00 0.28 H new ATOM 0 HB2 LEU A 92 -0.830 2.976 -11.459 1.00 0.32 H new ATOM 0 HB3 LEU A 92 -0.533 1.513 -10.542 1.00 0.32 H new ATOM 0 HG LEU A 92 -1.999 3.974 -9.531 1.00 0.76 H new ATOM 0 HD11 LEU A 92 -3.990 2.527 -9.552 1.00 1.15 H new ATOM 0 HD12 LEU A 92 -3.298 2.731 -11.179 1.00 1.15 H new ATOM 0 HD13 LEU A 92 -3.025 1.220 -10.279 1.00 1.15 H new ATOM 0 HD21 LEU A 92 -2.545 2.582 -7.563 1.00 1.30 H new ATOM 0 HD22 LEU A 92 -1.511 1.283 -8.205 1.00 1.30 H new ATOM 0 HD23 LEU A 92 -0.792 2.838 -7.727 1.00 1.30 H new ATOM 1370 N LYS A 93 2.898 2.461 -10.025 1.00 0.31 N ATOM 1371 CA LYS A 93 4.226 2.186 -10.525 1.00 0.37 C ATOM 1372 C LYS A 93 4.357 0.692 -10.748 1.00 0.38 C ATOM 1373 O LYS A 93 4.200 -0.065 -9.816 1.00 0.39 O ATOM 1374 CB LYS A 93 5.257 2.640 -9.470 1.00 0.46 C ATOM 1375 CG LYS A 93 6.685 2.640 -9.952 1.00 1.29 C ATOM 1376 CD LYS A 93 6.894 3.644 -11.072 1.00 2.11 C ATOM 1377 CE LYS A 93 8.265 3.495 -11.709 1.00 2.85 C ATOM 1378 NZ LYS A 93 8.402 2.199 -12.427 1.00 3.26 N ATOM 0 H LYS A 93 2.833 2.377 -9.011 1.00 0.31 H new ATOM 0 HA LYS A 93 4.400 2.717 -11.461 1.00 0.37 H new ATOM 0 HB2 LYS A 93 4.999 3.645 -9.137 1.00 0.46 H new ATOM 0 HB3 LYS A 93 5.180 1.987 -8.601 1.00 0.46 H new ATOM 0 HG2 LYS A 93 7.350 2.876 -9.122 1.00 1.29 H new ATOM 0 HG3 LYS A 93 6.952 1.643 -10.301 1.00 1.29 H new ATOM 0 HD2 LYS A 93 6.123 3.509 -11.831 1.00 2.11 H new ATOM 0 HD3 LYS A 93 6.782 4.655 -10.680 1.00 2.11 H new ATOM 0 HE2 LYS A 93 8.433 4.316 -12.406 1.00 2.85 H new ATOM 0 HE3 LYS A 93 9.033 3.567 -10.939 1.00 2.85 H new ATOM 0 HZ1 LYS A 93 9.202 2.252 -13.089 1.00 3.26 H new ATOM 0 HZ2 LYS A 93 8.572 1.437 -11.739 1.00 3.26 H new ATOM 0 HZ3 LYS A 93 7.528 2.001 -12.955 1.00 3.26 H new ATOM 1392 N GLU A 94 4.646 0.245 -11.951 1.00 0.43 N ATOM 1393 CA GLU A 94 4.620 -1.186 -12.191 1.00 0.47 C ATOM 1394 C GLU A 94 6.011 -1.756 -12.006 1.00 0.52 C ATOM 1395 O GLU A 94 6.857 -1.724 -12.900 1.00 0.62 O ATOM 1396 CB GLU A 94 4.110 -1.493 -13.600 1.00 0.56 C ATOM 1397 CG GLU A 94 4.187 -2.968 -13.965 1.00 1.38 C ATOM 1398 CD GLU A 94 3.711 -3.252 -15.371 1.00 1.76 C ATOM 1399 OE1 GLU A 94 4.304 -2.707 -16.327 1.00 2.33 O ATOM 1400 OE2 GLU A 94 2.733 -4.010 -15.531 1.00 2.05 O ATOM 0 H GLU A 94 4.893 0.825 -12.753 1.00 0.43 H new ATOM 0 HA GLU A 94 3.939 -1.648 -11.476 1.00 0.47 H new ATOM 0 HB2 GLU A 94 3.076 -1.159 -13.684 1.00 0.56 H new ATOM 0 HB3 GLU A 94 4.690 -0.918 -14.321 1.00 0.56 H new ATOM 0 HG2 GLU A 94 5.217 -3.310 -13.859 1.00 1.38 H new ATOM 0 HG3 GLU A 94 3.586 -3.543 -13.260 1.00 1.38 H new ATOM 1407 N MET A 95 6.237 -2.240 -10.795 1.00 0.50 N ATOM 1408 CA MET A 95 7.494 -2.864 -10.432 1.00 0.59 C ATOM 1409 C MET A 95 7.244 -4.331 -10.068 1.00 0.66 C ATOM 1410 O MET A 95 6.476 -4.627 -9.158 1.00 0.65 O ATOM 1411 CB MET A 95 8.154 -2.089 -9.286 1.00 0.60 C ATOM 1412 CG MET A 95 9.669 -2.180 -9.306 1.00 1.21 C ATOM 1413 SD MET A 95 10.359 -1.458 -10.810 1.00 1.67 S ATOM 1414 CE MET A 95 12.112 -1.712 -10.557 1.00 2.39 C ATOM 0 H MET A 95 5.553 -2.210 -10.039 1.00 0.50 H new ATOM 0 HA MET A 95 8.183 -2.839 -11.276 1.00 0.59 H new ATOM 0 HB2 MET A 95 7.857 -1.042 -9.344 1.00 0.60 H new ATOM 0 HB3 MET A 95 7.785 -2.472 -8.335 1.00 0.60 H new ATOM 0 HG2 MET A 95 10.076 -1.666 -8.435 1.00 1.21 H new ATOM 0 HG3 MET A 95 9.972 -3.224 -9.231 1.00 1.21 H new ATOM 0 HE1 MET A 95 12.646 -1.514 -11.486 1.00 2.39 H new ATOM 0 HE2 MET A 95 12.470 -1.035 -9.782 1.00 2.39 H new ATOM 0 HE3 MET A 95 12.290 -2.742 -10.249 1.00 2.39 H new ATOM 1424 N PRO A 96 7.872 -5.264 -10.795 1.00 0.82 N ATOM 1425 CA PRO A 96 7.540 -6.695 -10.724 1.00 0.95 C ATOM 1426 C PRO A 96 8.075 -7.441 -9.491 1.00 0.93 C ATOM 1427 O PRO A 96 9.251 -7.333 -9.140 1.00 0.98 O ATOM 1428 CB PRO A 96 8.175 -7.251 -11.995 1.00 1.19 C ATOM 1429 CG PRO A 96 9.343 -6.364 -12.256 1.00 1.26 C ATOM 1430 CD PRO A 96 8.955 -4.996 -11.760 1.00 0.99 C ATOM 0 HA PRO A 96 6.462 -6.829 -10.638 1.00 0.95 H new ATOM 0 HB2 PRO A 96 8.487 -8.287 -11.861 1.00 1.19 H new ATOM 0 HB3 PRO A 96 7.472 -7.235 -12.828 1.00 1.19 H new ATOM 0 HG2 PRO A 96 10.231 -6.728 -11.738 1.00 1.26 H new ATOM 0 HG3 PRO A 96 9.582 -6.339 -13.319 1.00 1.26 H new ATOM 0 HD2 PRO A 96 9.796 -4.489 -11.287 1.00 0.99 H new ATOM 0 HD3 PRO A 96 8.615 -4.357 -12.575 1.00 0.99 H new ATOM 1438 N GLU A 97 7.166 -8.194 -8.857 1.00 0.98 N ATOM 1439 CA GLU A 97 7.487 -9.176 -7.806 1.00 1.06 C ATOM 1440 C GLU A 97 7.924 -8.564 -6.480 1.00 0.90 C ATOM 1441 O GLU A 97 8.682 -7.596 -6.420 1.00 0.88 O ATOM 1442 CB GLU A 97 8.545 -10.172 -8.292 1.00 1.32 C ATOM 1443 CG GLU A 97 9.159 -11.012 -7.181 1.00 1.84 C ATOM 1444 CD GLU A 97 10.166 -12.021 -7.683 1.00 2.42 C ATOM 1445 OE1 GLU A 97 11.341 -11.647 -7.892 1.00 3.15 O ATOM 1446 OE2 GLU A 97 9.797 -13.204 -7.842 1.00 2.74 O ATOM 0 H GLU A 97 6.168 -8.139 -9.062 1.00 0.98 H new ATOM 0 HA GLU A 97 6.548 -9.693 -7.608 1.00 1.06 H new ATOM 0 HB2 GLU A 97 8.093 -10.836 -9.029 1.00 1.32 H new ATOM 0 HB3 GLU A 97 9.338 -9.625 -8.801 1.00 1.32 H new ATOM 0 HG2 GLU A 97 9.644 -10.352 -6.461 1.00 1.84 H new ATOM 0 HG3 GLU A 97 8.365 -11.535 -6.649 1.00 1.84 H new ATOM 1453 N ILE A 98 7.451 -9.209 -5.414 1.00 1.08 N ATOM 1454 CA ILE A 98 7.718 -8.793 -4.043 1.00 1.17 C ATOM 1455 C ILE A 98 9.192 -9.021 -3.735 1.00 1.10 C ATOM 1456 O ILE A 98 9.721 -10.116 -3.941 1.00 1.29 O ATOM 1457 CB ILE A 98 6.800 -9.564 -3.044 1.00 1.61 C ATOM 1458 CG1 ILE A 98 7.026 -9.129 -1.580 1.00 2.25 C ATOM 1459 CG2 ILE A 98 6.980 -11.071 -3.193 1.00 2.35 C ATOM 1460 CD1 ILE A 98 8.181 -9.817 -0.874 1.00 3.20 C ATOM 0 H ILE A 98 6.867 -10.042 -5.482 1.00 1.08 H new ATOM 0 HA ILE A 98 7.494 -7.732 -3.931 1.00 1.17 H new ATOM 0 HB ILE A 98 5.771 -9.308 -3.298 1.00 1.61 H new ATOM 0 HG12 ILE A 98 7.197 -8.053 -1.560 1.00 2.25 H new ATOM 0 HG13 ILE A 98 6.112 -9.317 -1.016 1.00 2.25 H new ATOM 0 HG21 ILE A 98 6.330 -11.587 -2.486 1.00 2.35 H new ATOM 0 HG22 ILE A 98 6.721 -11.370 -4.209 1.00 2.35 H new ATOM 0 HG23 ILE A 98 8.018 -11.335 -2.991 1.00 2.35 H new ATOM 0 HD11 ILE A 98 8.257 -9.444 0.147 1.00 3.20 H new ATOM 0 HD12 ILE A 98 8.007 -10.893 -0.855 1.00 3.20 H new ATOM 0 HD13 ILE A 98 9.109 -9.609 -1.407 1.00 3.20 H new ATOM 1472 N PRO A 99 9.884 -7.980 -3.269 1.00 1.08 N ATOM 1473 CA PRO A 99 11.330 -8.002 -3.209 1.00 1.14 C ATOM 1474 C PRO A 99 11.923 -8.770 -2.028 1.00 1.08 C ATOM 1475 O PRO A 99 11.443 -8.730 -0.897 1.00 1.15 O ATOM 1476 CB PRO A 99 11.686 -6.520 -3.106 1.00 1.38 C ATOM 1477 CG PRO A 99 10.532 -5.903 -2.398 1.00 1.61 C ATOM 1478 CD PRO A 99 9.320 -6.712 -2.782 1.00 1.28 C ATOM 0 HA PRO A 99 11.739 -8.525 -4.074 1.00 1.14 H new ATOM 0 HB2 PRO A 99 12.614 -6.373 -2.554 1.00 1.38 H new ATOM 0 HB3 PRO A 99 11.828 -6.077 -4.092 1.00 1.38 H new ATOM 0 HG2 PRO A 99 10.684 -5.919 -1.319 1.00 1.61 H new ATOM 0 HG3 PRO A 99 10.411 -4.859 -2.688 1.00 1.61 H new ATOM 0 HD2 PRO A 99 8.658 -6.870 -1.930 1.00 1.28 H new ATOM 0 HD3 PRO A 99 8.734 -6.213 -3.553 1.00 1.28 H new ATOM 1486 N LYS A 100 12.991 -9.457 -2.362 1.00 1.10 N ATOM 1487 CA LYS A 100 13.971 -9.994 -1.428 1.00 1.07 C ATOM 1488 C LYS A 100 15.186 -9.099 -1.566 1.00 1.03 C ATOM 1489 O LYS A 100 16.192 -9.207 -0.865 1.00 0.99 O ATOM 1490 CB LYS A 100 14.322 -11.444 -1.761 1.00 1.15 C ATOM 1491 CG LYS A 100 13.118 -12.371 -1.795 1.00 1.99 C ATOM 1492 CD LYS A 100 13.333 -13.594 -0.922 1.00 2.34 C ATOM 1493 CE LYS A 100 13.348 -13.231 0.556 1.00 3.09 C ATOM 1494 NZ LYS A 100 13.718 -14.392 1.409 1.00 3.70 N ATOM 0 H LYS A 100 13.216 -9.670 -3.334 1.00 1.10 H new ATOM 0 HA LYS A 100 13.586 -10.006 -0.408 1.00 1.07 H new ATOM 0 HB2 LYS A 100 14.821 -11.475 -2.730 1.00 1.15 H new ATOM 0 HB3 LYS A 100 15.034 -11.815 -1.024 1.00 1.15 H new ATOM 0 HG2 LYS A 100 12.233 -11.832 -1.457 1.00 1.99 H new ATOM 0 HG3 LYS A 100 12.927 -12.684 -2.821 1.00 1.99 H new ATOM 0 HD2 LYS A 100 12.542 -14.320 -1.111 1.00 2.34 H new ATOM 0 HD3 LYS A 100 14.275 -14.072 -1.190 1.00 2.34 H new ATOM 0 HE2 LYS A 100 14.055 -12.418 0.723 1.00 3.09 H new ATOM 0 HE3 LYS A 100 12.365 -12.864 0.850 1.00 3.09 H new ATOM 0 HZ1 LYS A 100 13.717 -14.103 2.408 1.00 3.70 H new ATOM 0 HZ2 LYS A 100 13.029 -15.159 1.269 1.00 3.70 H new ATOM 0 HZ3 LYS A 100 14.667 -14.727 1.147 1.00 3.70 H new ATOM 1508 N THR A 101 15.063 -8.315 -2.613 1.00 1.10 N ATOM 1509 CA THR A 101 16.072 -7.472 -3.183 1.00 1.11 C ATOM 1510 C THR A 101 15.414 -6.145 -3.596 1.00 1.16 C ATOM 1511 O THR A 101 14.618 -6.145 -4.532 1.00 1.30 O ATOM 1512 CB THR A 101 16.603 -8.186 -4.437 1.00 1.30 C ATOM 1513 OG1 THR A 101 17.021 -9.512 -4.095 1.00 1.73 O ATOM 1514 CG2 THR A 101 17.737 -7.434 -5.106 1.00 1.92 C ATOM 0 H THR A 101 14.182 -8.250 -3.123 1.00 1.10 H new ATOM 0 HA THR A 101 16.880 -7.277 -2.478 1.00 1.11 H new ATOM 0 HB THR A 101 15.786 -8.226 -5.158 1.00 1.30 H new ATOM 0 HG1 THR A 101 17.956 -9.639 -4.359 1.00 1.73 H new ATOM 0 HG21 THR A 101 18.071 -7.986 -5.985 1.00 1.92 H new ATOM 0 HG22 THR A 101 17.390 -6.446 -5.408 1.00 1.92 H new ATOM 0 HG23 THR A 101 18.567 -7.329 -4.407 1.00 1.92 H new ATOM 1522 N ILE A 102 15.687 -5.033 -2.913 1.00 1.14 N ATOM 1523 CA ILE A 102 15.167 -3.749 -3.374 1.00 1.18 C ATOM 1524 C ILE A 102 16.300 -2.962 -3.989 1.00 1.22 C ATOM 1525 O ILE A 102 17.282 -2.644 -3.326 1.00 1.37 O ATOM 1526 CB ILE A 102 14.441 -2.935 -2.263 1.00 1.31 C ATOM 1527 CG1 ILE A 102 13.706 -1.706 -2.842 1.00 2.08 C ATOM 1528 CG2 ILE A 102 15.396 -2.511 -1.159 1.00 1.98 C ATOM 1529 CD1 ILE A 102 14.582 -0.492 -3.098 1.00 2.69 C ATOM 0 H ILE A 102 16.249 -4.995 -2.063 1.00 1.14 H new ATOM 0 HA ILE A 102 14.398 -3.946 -4.121 1.00 1.18 H new ATOM 0 HB ILE A 102 13.696 -3.600 -1.827 1.00 1.31 H new ATOM 0 HG12 ILE A 102 13.230 -1.995 -3.779 1.00 2.08 H new ATOM 0 HG13 ILE A 102 12.910 -1.421 -2.154 1.00 2.08 H new ATOM 0 HG21 ILE A 102 14.851 -1.946 -0.403 1.00 1.98 H new ATOM 0 HG22 ILE A 102 15.838 -3.396 -0.701 1.00 1.98 H new ATOM 0 HG23 ILE A 102 16.185 -1.887 -1.580 1.00 1.98 H new ATOM 0 HD11 ILE A 102 13.974 0.317 -3.504 1.00 2.69 H new ATOM 0 HD12 ILE A 102 15.038 -0.169 -2.162 1.00 2.69 H new ATOM 0 HD13 ILE A 102 15.364 -0.751 -3.812 1.00 2.69 H new ATOM 1541 N THR A 103 16.175 -2.625 -5.240 1.00 1.15 N ATOM 1542 CA THR A 103 17.269 -1.989 -5.916 1.00 1.20 C ATOM 1543 C THR A 103 16.811 -0.688 -6.539 1.00 1.08 C ATOM 1544 O THR A 103 15.907 -0.667 -7.367 1.00 1.05 O ATOM 1545 CB THR A 103 17.905 -2.926 -6.973 1.00 1.39 C ATOM 1546 OG1 THR A 103 19.004 -2.274 -7.620 1.00 1.58 O ATOM 1547 CG2 THR A 103 16.886 -3.381 -8.012 1.00 1.57 C ATOM 0 H THR A 103 15.340 -2.777 -5.806 1.00 1.15 H new ATOM 0 HA THR A 103 18.042 -1.766 -5.181 1.00 1.20 H new ATOM 0 HB THR A 103 18.267 -3.811 -6.449 1.00 1.39 H new ATOM 0 HG1 THR A 103 19.398 -2.878 -8.284 1.00 1.58 H new ATOM 0 HG21 THR A 103 17.372 -4.036 -8.735 1.00 1.57 H new ATOM 0 HG22 THR A 103 16.079 -3.921 -7.518 1.00 1.57 H new ATOM 0 HG23 THR A 103 16.478 -2.511 -8.527 1.00 1.57 H new ATOM 1555 N GLY A 104 17.525 0.367 -6.160 1.00 1.08 N ATOM 1556 CA GLY A 104 17.147 1.759 -6.422 1.00 1.03 C ATOM 1557 C GLY A 104 15.657 2.031 -6.633 1.00 0.92 C ATOM 1558 O GLY A 104 14.980 2.474 -5.711 1.00 0.84 O ATOM 0 H GLY A 104 18.404 0.280 -5.650 1.00 1.08 H new ATOM 0 HA2 GLY A 104 17.491 2.369 -5.587 1.00 1.03 H new ATOM 0 HA3 GLY A 104 17.685 2.098 -7.307 1.00 1.03 H new ATOM 1562 N SER A 105 15.152 1.759 -7.824 1.00 0.96 N ATOM 1563 CA SER A 105 13.858 2.273 -8.276 1.00 0.92 C ATOM 1564 C SER A 105 12.642 1.741 -7.501 1.00 0.81 C ATOM 1565 O SER A 105 11.592 2.370 -7.537 1.00 0.77 O ATOM 1566 CB SER A 105 13.684 1.975 -9.763 1.00 1.05 C ATOM 1567 OG SER A 105 14.769 2.500 -10.514 1.00 1.47 O ATOM 0 H SER A 105 15.625 1.173 -8.512 1.00 0.96 H new ATOM 0 HA SER A 105 13.883 3.345 -8.082 1.00 0.92 H new ATOM 0 HB2 SER A 105 13.617 0.898 -9.917 1.00 1.05 H new ATOM 0 HB3 SER A 105 12.748 2.407 -10.118 1.00 1.05 H new ATOM 0 HG SER A 105 14.638 2.296 -11.464 1.00 1.47 H new ATOM 1573 N GLU A 106 12.766 0.624 -6.787 1.00 0.79 N ATOM 1574 CA GLU A 106 11.608 -0.027 -6.177 1.00 0.72 C ATOM 1575 C GLU A 106 11.227 0.689 -4.880 1.00 0.56 C ATOM 1576 O GLU A 106 10.315 0.287 -4.154 1.00 0.51 O ATOM 1577 CB GLU A 106 11.939 -1.502 -5.938 1.00 0.82 C ATOM 1578 CG GLU A 106 12.496 -2.166 -7.188 1.00 1.28 C ATOM 1579 CD GLU A 106 12.985 -3.583 -6.979 1.00 1.74 C ATOM 1580 OE1 GLU A 106 13.978 -3.770 -6.255 1.00 2.11 O ATOM 1581 OE2 GLU A 106 12.404 -4.510 -7.583 1.00 2.39 O ATOM 0 H GLU A 106 13.654 0.152 -6.617 1.00 0.79 H new ATOM 0 HA GLU A 106 10.747 0.030 -6.843 1.00 0.72 H new ATOM 0 HB2 GLU A 106 12.664 -1.585 -5.128 1.00 0.82 H new ATOM 0 HB3 GLU A 106 11.040 -2.029 -5.616 1.00 0.82 H new ATOM 0 HG2 GLU A 106 11.723 -2.171 -7.957 1.00 1.28 H new ATOM 0 HG3 GLU A 106 13.320 -1.563 -7.568 1.00 1.28 H new ATOM 1588 N THR A 107 11.940 1.779 -4.630 1.00 0.55 N ATOM 1589 CA THR A 107 11.806 2.582 -3.438 1.00 0.49 C ATOM 1590 C THR A 107 10.446 3.273 -3.346 1.00 0.37 C ATOM 1591 O THR A 107 10.131 3.866 -2.312 1.00 0.38 O ATOM 1592 CB THR A 107 12.921 3.656 -3.386 1.00 0.62 C ATOM 1593 OG1 THR A 107 12.787 4.462 -2.209 1.00 1.41 O ATOM 1594 CG2 THR A 107 12.868 4.551 -4.618 1.00 1.27 C ATOM 0 H THR A 107 12.647 2.133 -5.275 1.00 0.55 H new ATOM 0 HA THR A 107 11.895 1.901 -2.592 1.00 0.49 H new ATOM 0 HB THR A 107 13.881 3.139 -3.363 1.00 0.62 H new ATOM 0 HG1 THR A 107 11.887 4.351 -1.837 1.00 1.41 H new ATOM 0 HG21 THR A 107 13.660 5.298 -4.560 1.00 1.27 H new ATOM 0 HG22 THR A 107 13.005 3.945 -5.514 1.00 1.27 H new ATOM 0 HG23 THR A 107 11.901 5.051 -4.663 1.00 1.27 H new ATOM 1602 N ASN A 108 9.637 3.228 -4.411 1.00 0.34 N ATOM 1603 CA ASN A 108 8.357 3.879 -4.369 1.00 0.29 C ATOM 1604 C ASN A 108 7.481 3.170 -3.365 1.00 0.25 C ATOM 1605 O ASN A 108 6.721 3.788 -2.619 1.00 0.27 O ATOM 1606 CB ASN A 108 7.695 3.773 -5.739 1.00 0.40 C ATOM 1607 CG ASN A 108 8.672 3.525 -6.872 1.00 0.58 C ATOM 1608 OD1 ASN A 108 8.921 2.379 -7.238 1.00 1.39 O ATOM 1609 ND2 ASN A 108 9.229 4.589 -7.431 1.00 1.22 N ATOM 0 H ASN A 108 9.854 2.754 -5.288 1.00 0.34 H new ATOM 0 HA ASN A 108 8.487 4.925 -4.093 1.00 0.29 H new ATOM 0 HB2 ASN A 108 6.964 2.964 -5.718 1.00 0.40 H new ATOM 0 HB3 ASN A 108 7.146 4.693 -5.939 1.00 0.40 H new ATOM 0 HD21 ASN A 108 9.893 4.474 -8.197 1.00 1.22 H new ATOM 0 HD22 ASN A 108 8.994 5.523 -7.096 1.00 1.22 H new ATOM 1616 N LEU A 109 7.633 1.863 -3.350 1.00 0.25 N ATOM 1617 CA LEU A 109 6.815 1.005 -2.535 1.00 0.26 C ATOM 1618 C LEU A 109 7.418 0.694 -1.163 1.00 0.21 C ATOM 1619 O LEU A 109 7.285 -0.436 -0.681 1.00 0.23 O ATOM 1620 CB LEU A 109 6.487 -0.276 -3.296 1.00 0.41 C ATOM 1621 CG LEU A 109 5.379 -1.124 -2.675 1.00 0.54 C ATOM 1622 CD1 LEU A 109 4.215 -0.257 -2.250 1.00 0.83 C ATOM 1623 CD2 LEU A 109 4.906 -2.162 -3.660 1.00 0.95 C ATOM 0 H LEU A 109 8.331 1.369 -3.906 1.00 0.25 H new ATOM 0 HA LEU A 109 5.896 1.554 -2.327 1.00 0.26 H new ATOM 0 HB2 LEU A 109 6.197 -0.013 -4.313 1.00 0.41 H new ATOM 0 HB3 LEU A 109 7.391 -0.881 -3.368 1.00 0.41 H new ATOM 0 HG LEU A 109 5.784 -1.621 -1.794 1.00 0.54 H new ATOM 0 HD11 LEU A 109 3.437 -0.882 -1.810 1.00 0.83 H new ATOM 0 HD12 LEU A 109 4.554 0.472 -1.514 1.00 0.83 H new ATOM 0 HD13 LEU A 109 3.813 0.264 -3.119 1.00 0.83 H new ATOM 0 HD21 LEU A 109 4.116 -2.761 -3.206 1.00 0.95 H new ATOM 0 HD22 LEU A 109 4.520 -1.668 -4.552 1.00 0.95 H new ATOM 0 HD23 LEU A 109 5.739 -2.809 -3.935 1.00 0.95 H new ATOM 1635 N LEU A 110 8.040 1.660 -0.496 1.00 0.20 N ATOM 1636 CA LEU A 110 8.446 1.392 0.872 1.00 0.21 C ATOM 1637 C LEU A 110 7.369 1.955 1.775 1.00 0.23 C ATOM 1638 O LEU A 110 7.008 3.126 1.644 1.00 0.31 O ATOM 1639 CB LEU A 110 9.763 2.113 1.215 1.00 0.28 C ATOM 1640 CG LEU A 110 10.881 2.066 0.169 1.00 0.81 C ATOM 1641 CD1 LEU A 110 12.004 3.009 0.570 1.00 1.71 C ATOM 1642 CD2 LEU A 110 11.425 0.660 0.011 1.00 1.64 C ATOM 0 H LEU A 110 8.264 2.587 -0.858 1.00 0.20 H new ATOM 0 HA LEU A 110 8.588 0.319 1.001 1.00 0.21 H new ATOM 0 HB2 LEU A 110 9.533 3.159 1.416 1.00 0.28 H new ATOM 0 HB3 LEU A 110 10.149 1.688 2.141 1.00 0.28 H new ATOM 0 HG LEU A 110 10.463 2.380 -0.788 1.00 0.81 H new ATOM 0 HD11 LEU A 110 12.796 2.971 -0.178 1.00 1.71 H new ATOM 0 HD12 LEU A 110 11.618 4.026 0.638 1.00 1.71 H new ATOM 0 HD13 LEU A 110 12.404 2.707 1.538 1.00 1.71 H new ATOM 0 HD21 LEU A 110 12.217 0.658 -0.738 1.00 1.64 H new ATOM 0 HD22 LEU A 110 11.826 0.316 0.964 1.00 1.64 H new ATOM 0 HD23 LEU A 110 10.623 -0.007 -0.307 1.00 1.64 H new ATOM 1654 N PHE A 111 6.906 1.162 2.738 1.00 0.22 N ATOM 1655 CA PHE A 111 5.767 1.585 3.546 1.00 0.25 C ATOM 1656 C PHE A 111 5.812 1.100 4.979 1.00 0.23 C ATOM 1657 O PHE A 111 5.989 -0.084 5.256 1.00 0.27 O ATOM 1658 CB PHE A 111 4.440 1.252 2.866 1.00 0.42 C ATOM 1659 CG PHE A 111 4.178 2.198 1.734 1.00 0.91 C ATOM 1660 CD1 PHE A 111 4.063 3.558 1.978 1.00 1.64 C ATOM 1661 CD2 PHE A 111 4.101 1.746 0.433 1.00 1.18 C ATOM 1662 CE1 PHE A 111 3.877 4.449 0.941 1.00 2.38 C ATOM 1663 CE2 PHE A 111 3.906 2.632 -0.608 1.00 1.90 C ATOM 1664 CZ PHE A 111 3.798 3.984 -0.355 1.00 2.46 C ATOM 0 H PHE A 111 7.290 0.247 2.974 1.00 0.22 H new ATOM 0 HA PHE A 111 5.843 2.670 3.614 1.00 0.25 H new ATOM 0 HB2 PHE A 111 4.462 0.228 2.494 1.00 0.42 H new ATOM 0 HB3 PHE A 111 3.628 1.310 3.591 1.00 0.42 H new ATOM 0 HD1 PHE A 111 4.120 3.925 2.992 1.00 1.64 H new ATOM 0 HD2 PHE A 111 4.194 0.690 0.227 1.00 1.18 H new ATOM 0 HE1 PHE A 111 3.794 5.507 1.143 1.00 2.38 H new ATOM 0 HE2 PHE A 111 3.838 2.266 -1.622 1.00 1.90 H new ATOM 0 HZ PHE A 111 3.652 4.677 -1.170 1.00 2.46 H new ATOM 1674 N PHE A 112 5.672 2.064 5.868 1.00 0.21 N ATOM 1675 CA PHE A 112 5.744 1.853 7.304 1.00 0.25 C ATOM 1676 C PHE A 112 4.393 1.424 7.824 1.00 0.25 C ATOM 1677 O PHE A 112 3.437 2.201 7.820 1.00 0.26 O ATOM 1678 CB PHE A 112 6.217 3.102 8.050 1.00 0.30 C ATOM 1679 CG PHE A 112 6.055 2.991 9.545 1.00 0.57 C ATOM 1680 CD1 PHE A 112 6.738 2.020 10.261 1.00 0.79 C ATOM 1681 CD2 PHE A 112 5.203 3.844 10.229 1.00 0.95 C ATOM 1682 CE1 PHE A 112 6.578 1.906 11.629 1.00 1.21 C ATOM 1683 CE2 PHE A 112 5.036 3.731 11.595 1.00 1.43 C ATOM 1684 CZ PHE A 112 5.727 2.761 12.297 1.00 1.50 C ATOM 0 H PHE A 112 5.502 3.036 5.609 1.00 0.21 H new ATOM 0 HA PHE A 112 6.479 1.069 7.485 1.00 0.25 H new ATOM 0 HB2 PHE A 112 7.266 3.283 7.816 1.00 0.30 H new ATOM 0 HB3 PHE A 112 5.657 3.966 7.692 1.00 0.30 H new ATOM 0 HD1 PHE A 112 7.403 1.345 9.744 1.00 0.79 H new ATOM 0 HD2 PHE A 112 4.663 4.606 9.687 1.00 0.95 H new ATOM 0 HE1 PHE A 112 7.119 1.147 12.175 1.00 1.21 H new ATOM 0 HE2 PHE A 112 4.366 4.400 12.115 1.00 1.43 H new ATOM 0 HZ PHE A 112 5.601 2.673 13.366 1.00 1.50 H new ATOM 1694 N TRP A 113 4.317 0.190 8.262 1.00 0.31 N ATOM 1695 CA TRP A 113 3.040 -0.405 8.608 1.00 0.35 C ATOM 1696 C TRP A 113 2.733 -0.154 10.082 1.00 0.33 C ATOM 1697 O TRP A 113 3.346 -0.723 10.985 1.00 0.37 O ATOM 1698 CB TRP A 113 3.094 -1.906 8.307 1.00 0.48 C ATOM 1699 CG TRP A 113 1.829 -2.650 8.612 1.00 1.08 C ATOM 1700 CD1 TRP A 113 0.609 -2.473 8.026 1.00 2.30 C ATOM 1701 CD2 TRP A 113 1.670 -3.711 9.561 1.00 1.17 C ATOM 1702 NE1 TRP A 113 -0.300 -3.353 8.560 1.00 3.02 N ATOM 1703 CE2 TRP A 113 0.328 -4.123 9.502 1.00 2.29 C ATOM 1704 CE3 TRP A 113 2.533 -4.353 10.455 1.00 1.12 C ATOM 1705 CZ2 TRP A 113 -0.175 -5.143 10.304 1.00 2.67 C ATOM 1706 CZ3 TRP A 113 2.033 -5.368 11.251 1.00 1.47 C ATOM 1707 CH2 TRP A 113 0.690 -5.755 11.169 1.00 2.02 C ATOM 0 H TRP A 113 5.121 -0.424 8.389 1.00 0.31 H new ATOM 0 HA TRP A 113 2.244 0.047 8.016 1.00 0.35 H new ATOM 0 HB2 TRP A 113 3.335 -2.043 7.253 1.00 0.48 H new ATOM 0 HB3 TRP A 113 3.908 -2.349 8.881 1.00 0.48 H new ATOM 0 HD1 TRP A 113 0.391 -1.748 7.256 1.00 2.30 H new ATOM 0 HE1 TRP A 113 -1.283 -3.422 8.298 1.00 3.02 H new ATOM 0 HE3 TRP A 113 3.571 -4.062 10.523 1.00 1.12 H new ATOM 0 HZ2 TRP A 113 -1.211 -5.441 10.246 1.00 2.67 H new ATOM 0 HZ3 TRP A 113 2.689 -5.870 11.947 1.00 1.47 H new ATOM 0 HH2 TRP A 113 0.330 -6.553 11.801 1.00 2.02 H new ATOM 1718 N GLU A 114 1.764 0.732 10.279 1.00 0.32 N ATOM 1719 CA GLU A 114 1.369 1.238 11.590 1.00 0.37 C ATOM 1720 C GLU A 114 0.072 0.561 12.030 1.00 0.39 C ATOM 1721 O GLU A 114 -0.962 0.733 11.390 1.00 0.42 O ATOM 1722 CB GLU A 114 1.181 2.762 11.520 1.00 0.43 C ATOM 1723 CG GLU A 114 1.520 3.506 12.809 1.00 0.96 C ATOM 1724 CD GLU A 114 0.640 3.116 13.981 1.00 1.50 C ATOM 1725 OE1 GLU A 114 -0.416 3.752 14.168 1.00 1.90 O ATOM 1726 OE2 GLU A 114 0.993 2.165 14.709 1.00 2.32 O ATOM 0 H GLU A 114 1.218 1.128 9.514 1.00 0.32 H new ATOM 0 HA GLU A 114 2.148 1.014 12.319 1.00 0.37 H new ATOM 0 HB2 GLU A 114 1.803 3.155 10.716 1.00 0.43 H new ATOM 0 HB3 GLU A 114 0.145 2.975 11.255 1.00 0.43 H new ATOM 0 HG2 GLU A 114 2.561 3.314 13.067 1.00 0.96 H new ATOM 0 HG3 GLU A 114 1.427 4.578 12.636 1.00 0.96 H new ATOM 1733 N THR A 115 0.123 -0.218 13.098 1.00 0.47 N ATOM 1734 CA THR A 115 -1.014 -1.044 13.480 1.00 0.49 C ATOM 1735 C THR A 115 -1.854 -0.362 14.557 1.00 0.52 C ATOM 1736 O THR A 115 -1.363 -0.040 15.639 1.00 0.64 O ATOM 1737 CB THR A 115 -0.522 -2.404 14.013 1.00 0.67 C ATOM 1738 OG1 THR A 115 0.402 -2.975 13.077 1.00 1.38 O ATOM 1739 CG2 THR A 115 -1.682 -3.366 14.245 1.00 1.39 C ATOM 0 H THR A 115 0.933 -0.297 13.713 1.00 0.47 H new ATOM 0 HA THR A 115 -1.631 -1.192 12.594 1.00 0.49 H new ATOM 0 HB THR A 115 -0.029 -2.238 14.971 1.00 0.67 H new ATOM 0 HG1 THR A 115 0.065 -3.843 12.773 1.00 1.38 H new ATOM 0 HG21 THR A 115 -1.298 -4.315 14.621 1.00 1.39 H new ATOM 0 HG22 THR A 115 -2.369 -2.938 14.975 1.00 1.39 H new ATOM 0 HG23 THR A 115 -2.209 -3.534 13.306 1.00 1.39 H new ATOM 1747 N HIS A 116 -3.127 -0.137 14.241 1.00 0.47 N ATOM 1748 CA HIS A 116 -4.045 0.494 15.174 1.00 0.56 C ATOM 1749 C HIS A 116 -5.352 -0.295 15.232 1.00 0.56 C ATOM 1750 O HIS A 116 -6.250 -0.082 14.425 1.00 0.55 O ATOM 1751 CB HIS A 116 -4.301 1.936 14.711 1.00 0.66 C ATOM 1752 CG HIS A 116 -5.170 2.754 15.616 1.00 1.29 C ATOM 1753 ND1 HIS A 116 -5.684 3.978 15.247 1.00 1.88 N ATOM 1754 CD2 HIS A 116 -5.615 2.528 16.873 1.00 2.27 C ATOM 1755 CE1 HIS A 116 -6.405 4.466 16.236 1.00 2.63 C ATOM 1756 NE2 HIS A 116 -6.381 3.607 17.235 1.00 2.89 N ATOM 0 H HIS A 116 -3.543 -0.384 13.343 1.00 0.47 H new ATOM 0 HA HIS A 116 -3.614 0.507 16.175 1.00 0.56 H new ATOM 0 HB2 HIS A 116 -3.341 2.441 14.602 1.00 0.66 H new ATOM 0 HB3 HIS A 116 -4.760 1.907 13.723 1.00 0.66 H new ATOM 0 HD2 HIS A 116 -5.406 1.659 17.479 1.00 2.27 H new ATOM 0 HE1 HIS A 116 -6.928 5.411 16.229 1.00 2.63 H new ATOM 0 HE2 HIS A 116 -6.854 3.725 18.131 1.00 2.89 H new ATOM 1765 N GLY A 117 -5.459 -1.176 16.213 1.00 0.64 N ATOM 1766 CA GLY A 117 -6.660 -1.976 16.365 1.00 0.71 C ATOM 1767 C GLY A 117 -6.793 -3.022 15.272 1.00 0.69 C ATOM 1768 O GLY A 117 -6.088 -4.031 15.274 1.00 0.74 O ATOM 0 H GLY A 117 -4.735 -1.354 16.909 1.00 0.64 H new ATOM 0 HA2 GLY A 117 -6.646 -2.468 17.337 1.00 0.71 H new ATOM 0 HA3 GLY A 117 -7.533 -1.324 16.350 1.00 0.71 H new ATOM 1772 N THR A 118 -7.707 -2.764 14.345 1.00 0.66 N ATOM 1773 CA THR A 118 -7.888 -3.590 13.159 1.00 0.69 C ATOM 1774 C THR A 118 -7.320 -2.887 11.932 1.00 0.56 C ATOM 1775 O THR A 118 -6.752 -3.516 11.043 1.00 0.57 O ATOM 1776 CB THR A 118 -9.371 -3.928 12.933 1.00 0.81 C ATOM 1777 OG1 THR A 118 -10.183 -2.760 13.130 1.00 1.60 O ATOM 1778 CG2 THR A 118 -9.814 -5.030 13.878 1.00 1.39 C ATOM 0 H THR A 118 -8.347 -1.971 14.396 1.00 0.66 H new ATOM 0 HA THR A 118 -7.348 -4.524 13.318 1.00 0.69 H new ATOM 0 HB THR A 118 -9.492 -4.275 11.907 1.00 0.81 H new ATOM 0 HG1 THR A 118 -11.125 -2.987 12.982 1.00 1.60 H new ATOM 0 HG21 THR A 118 -10.866 -5.257 13.705 1.00 1.39 H new ATOM 0 HG22 THR A 118 -9.216 -5.924 13.700 1.00 1.39 H new ATOM 0 HG23 THR A 118 -9.679 -4.702 14.909 1.00 1.39 H new ATOM 1786 N LYS A 119 -7.509 -1.574 11.899 1.00 0.50 N ATOM 1787 CA LYS A 119 -7.034 -0.737 10.810 1.00 0.41 C ATOM 1788 C LYS A 119 -5.522 -0.505 10.960 1.00 0.35 C ATOM 1789 O LYS A 119 -4.936 -0.767 12.015 1.00 0.40 O ATOM 1790 CB LYS A 119 -7.785 0.600 10.850 1.00 0.46 C ATOM 1791 CG LYS A 119 -7.516 1.408 12.111 1.00 0.98 C ATOM 1792 CD LYS A 119 -8.611 2.426 12.388 1.00 1.36 C ATOM 1793 CE LYS A 119 -9.911 1.754 12.804 1.00 1.79 C ATOM 1794 NZ LYS A 119 -10.909 2.740 13.299 1.00 2.49 N ATOM 0 H LYS A 119 -7.999 -1.060 12.631 1.00 0.50 H new ATOM 0 HA LYS A 119 -7.217 -1.226 9.853 1.00 0.41 H new ATOM 0 HB2 LYS A 119 -7.502 1.193 9.980 1.00 0.46 H new ATOM 0 HB3 LYS A 119 -8.855 0.409 10.771 1.00 0.46 H new ATOM 0 HG2 LYS A 119 -7.428 0.732 12.961 1.00 0.98 H new ATOM 0 HG3 LYS A 119 -6.560 1.923 12.013 1.00 0.98 H new ATOM 0 HD2 LYS A 119 -8.285 3.106 13.175 1.00 1.36 H new ATOM 0 HD3 LYS A 119 -8.782 3.029 11.496 1.00 1.36 H new ATOM 0 HE2 LYS A 119 -10.327 1.211 11.956 1.00 1.79 H new ATOM 0 HE3 LYS A 119 -9.707 1.020 13.584 1.00 1.79 H new ATOM 0 HZ1 LYS A 119 -11.781 2.244 13.573 1.00 2.49 H new ATOM 0 HZ2 LYS A 119 -10.522 3.241 14.124 1.00 2.49 H new ATOM 0 HZ3 LYS A 119 -11.122 3.425 12.547 1.00 2.49 H new ATOM 1808 N ASN A 120 -4.909 0.002 9.911 1.00 0.30 N ATOM 1809 CA ASN A 120 -3.465 0.177 9.838 1.00 0.28 C ATOM 1810 C ASN A 120 -3.145 1.322 8.888 1.00 0.28 C ATOM 1811 O ASN A 120 -3.898 1.584 7.952 1.00 0.32 O ATOM 1812 CB ASN A 120 -2.763 -1.086 9.313 1.00 0.36 C ATOM 1813 CG ASN A 120 -3.082 -2.348 10.091 1.00 1.26 C ATOM 1814 OD1 ASN A 120 -2.304 -2.619 11.119 1.00 2.08 O flip ATOM 1815 ND2 ASN A 120 -4.003 -3.083 9.754 1.00 2.07 N flip ATOM 0 H ASN A 120 -5.401 0.309 9.072 1.00 0.30 H new ATOM 0 HA ASN A 120 -3.108 0.385 10.846 1.00 0.28 H new ATOM 0 HB2 ASN A 120 -3.043 -1.236 8.270 1.00 0.36 H new ATOM 0 HB3 ASN A 120 -1.685 -0.923 9.334 1.00 0.36 H new ATOM 0 HD21 ASN A 120 -4.583 -2.838 8.952 1.00 2.07 H new ATOM 0 HD22 ASN A 120 -4.189 -3.939 10.276 1.00 2.07 H new ATOM 1822 N TYR A 121 -2.033 1.994 9.132 1.00 0.31 N ATOM 1823 CA TYR A 121 -1.591 3.106 8.295 1.00 0.37 C ATOM 1824 C TYR A 121 -0.320 2.711 7.541 1.00 0.30 C ATOM 1825 O TYR A 121 0.363 1.776 7.961 1.00 0.34 O ATOM 1826 CB TYR A 121 -1.310 4.326 9.175 1.00 0.66 C ATOM 1827 CG TYR A 121 -2.399 4.620 10.188 1.00 1.06 C ATOM 1828 CD1 TYR A 121 -2.403 4.014 11.437 1.00 1.46 C ATOM 1829 CD2 TYR A 121 -3.424 5.511 9.891 1.00 1.41 C ATOM 1830 CE1 TYR A 121 -3.396 4.286 12.359 1.00 1.98 C ATOM 1831 CE2 TYR A 121 -4.417 5.790 10.808 1.00 2.01 C ATOM 1832 CZ TYR A 121 -4.395 5.147 12.052 1.00 2.23 C ATOM 1833 OH TYR A 121 -5.388 5.455 12.957 1.00 2.84 O ATOM 0 H TYR A 121 -1.410 1.788 9.913 1.00 0.31 H new ATOM 0 HA TYR A 121 -2.373 3.350 7.576 1.00 0.37 H new ATOM 0 HB2 TYR A 121 -0.369 4.171 9.703 1.00 0.66 H new ATOM 0 HB3 TYR A 121 -1.177 5.199 8.536 1.00 0.66 H new ATOM 0 HD1 TYR A 121 -1.617 3.319 11.692 1.00 1.46 H new ATOM 0 HD2 TYR A 121 -3.444 5.994 8.925 1.00 1.41 H new ATOM 0 HE1 TYR A 121 -3.375 3.810 13.328 1.00 1.98 H new ATOM 0 HE2 TYR A 121 -5.200 6.494 10.570 1.00 2.01 H new ATOM 0 HH TYR A 121 -5.531 4.694 13.557 1.00 2.84 H new ATOM 1843 N PHE A 122 0.017 3.404 6.445 1.00 0.30 N ATOM 1844 CA PHE A 122 1.279 3.147 5.764 1.00 0.29 C ATOM 1845 C PHE A 122 2.039 4.447 5.561 1.00 0.26 C ATOM 1846 O PHE A 122 1.761 5.190 4.630 1.00 0.32 O ATOM 1847 CB PHE A 122 1.061 2.477 4.405 1.00 0.34 C ATOM 1848 CG PHE A 122 0.404 1.129 4.474 1.00 1.05 C ATOM 1849 CD1 PHE A 122 1.153 -0.003 4.745 1.00 1.45 C ATOM 1850 CD2 PHE A 122 -0.957 0.994 4.261 1.00 1.56 C ATOM 1851 CE1 PHE A 122 0.556 -1.245 4.804 1.00 2.18 C ATOM 1852 CE2 PHE A 122 -1.559 -0.246 4.317 1.00 2.27 C ATOM 1853 CZ PHE A 122 -0.802 -1.368 4.590 1.00 2.54 C ATOM 0 H PHE A 122 -0.559 4.132 6.022 1.00 0.30 H new ATOM 0 HA PHE A 122 1.857 2.471 6.394 1.00 0.29 H new ATOM 0 HB2 PHE A 122 0.451 3.133 3.784 1.00 0.34 H new ATOM 0 HB3 PHE A 122 2.025 2.372 3.907 1.00 0.34 H new ATOM 0 HD1 PHE A 122 2.216 0.087 4.912 1.00 1.45 H new ATOM 0 HD2 PHE A 122 -1.554 1.869 4.049 1.00 1.56 H new ATOM 0 HE1 PHE A 122 1.151 -2.121 5.018 1.00 2.18 H new ATOM 0 HE2 PHE A 122 -2.622 -0.339 4.147 1.00 2.27 H new ATOM 0 HZ PHE A 122 -1.271 -2.340 4.636 1.00 2.54 H new ATOM 1863 N THR A 123 3.017 4.715 6.407 1.00 0.22 N ATOM 1864 CA THR A 123 3.799 5.924 6.291 1.00 0.22 C ATOM 1865 C THR A 123 4.976 5.631 5.388 1.00 0.20 C ATOM 1866 O THR A 123 5.582 4.581 5.507 1.00 0.19 O ATOM 1867 CB THR A 123 4.316 6.351 7.676 1.00 0.24 C ATOM 1868 OG1 THR A 123 3.257 6.255 8.637 1.00 0.32 O ATOM 1869 CG2 THR A 123 4.850 7.774 7.650 1.00 0.33 C ATOM 0 H THR A 123 3.286 4.108 7.182 1.00 0.22 H new ATOM 0 HA THR A 123 3.187 6.728 5.882 1.00 0.22 H new ATOM 0 HB THR A 123 5.132 5.684 7.954 1.00 0.24 H new ATOM 0 HG1 THR A 123 2.482 6.764 8.321 1.00 0.32 H new ATOM 0 HG21 THR A 123 5.208 8.047 8.643 1.00 0.33 H new ATOM 0 HG22 THR A 123 5.672 7.841 6.937 1.00 0.33 H new ATOM 0 HG23 THR A 123 4.054 8.456 7.351 1.00 0.33 H new ATOM 1877 N SER A 124 5.303 6.515 4.474 1.00 0.21 N ATOM 1878 CA SER A 124 6.365 6.201 3.551 1.00 0.23 C ATOM 1879 C SER A 124 7.680 6.246 4.300 1.00 0.29 C ATOM 1880 O SER A 124 8.003 7.229 4.962 1.00 0.34 O ATOM 1881 CB SER A 124 6.371 7.165 2.366 1.00 0.26 C ATOM 1882 OG SER A 124 7.385 6.827 1.431 1.00 1.17 O ATOM 0 H SER A 124 4.865 7.428 4.352 1.00 0.21 H new ATOM 0 HA SER A 124 6.211 5.202 3.143 1.00 0.23 H new ATOM 0 HB2 SER A 124 5.399 7.146 1.874 1.00 0.26 H new ATOM 0 HB3 SER A 124 6.527 8.183 2.723 1.00 0.26 H new ATOM 0 HG SER A 124 7.364 7.460 0.683 1.00 1.17 H new ATOM 1888 N VAL A 125 8.419 5.154 4.217 1.00 0.33 N ATOM 1889 CA VAL A 125 9.643 5.015 4.979 1.00 0.43 C ATOM 1890 C VAL A 125 10.736 5.888 4.372 1.00 0.53 C ATOM 1891 O VAL A 125 11.657 6.331 5.065 1.00 0.65 O ATOM 1892 CB VAL A 125 10.065 3.519 5.063 1.00 0.48 C ATOM 1893 CG1 VAL A 125 11.578 3.346 5.044 1.00 0.81 C ATOM 1894 CG2 VAL A 125 9.490 2.895 6.323 1.00 0.47 C ATOM 0 H VAL A 125 8.191 4.352 3.629 1.00 0.33 H new ATOM 0 HA VAL A 125 9.475 5.358 6.000 1.00 0.43 H new ATOM 0 HB VAL A 125 9.668 3.015 4.182 1.00 0.48 H new ATOM 0 HG11 VAL A 125 11.824 2.286 5.105 1.00 0.81 H new ATOM 0 HG12 VAL A 125 11.980 3.759 4.119 1.00 0.81 H new ATOM 0 HG13 VAL A 125 12.015 3.869 5.895 1.00 0.81 H new ATOM 0 HG21 VAL A 125 9.787 1.848 6.379 1.00 0.47 H new ATOM 0 HG22 VAL A 125 9.867 3.426 7.197 1.00 0.47 H new ATOM 0 HG23 VAL A 125 8.402 2.963 6.299 1.00 0.47 H new ATOM 1904 N ALA A 126 10.595 6.185 3.086 1.00 0.53 N ATOM 1905 CA ALA A 126 11.472 7.145 2.436 1.00 0.63 C ATOM 1906 C ALA A 126 11.130 8.568 2.888 1.00 0.63 C ATOM 1907 O ALA A 126 12.017 9.354 3.223 1.00 0.72 O ATOM 1908 CB ALA A 126 11.364 7.023 0.922 1.00 0.68 C ATOM 0 H ALA A 126 9.886 5.777 2.477 1.00 0.53 H new ATOM 0 HA ALA A 126 12.501 6.929 2.725 1.00 0.63 H new ATOM 0 HB1 ALA A 126 12.027 7.749 0.450 1.00 0.68 H new ATOM 0 HB2 ALA A 126 11.651 6.017 0.617 1.00 0.68 H new ATOM 0 HB3 ALA A 126 10.336 7.216 0.614 1.00 0.68 H new ATOM 1914 N HIS A 127 9.837 8.893 2.904 1.00 0.56 N ATOM 1915 CA HIS A 127 9.363 10.205 3.343 1.00 0.58 C ATOM 1916 C HIS A 127 8.019 10.077 4.052 1.00 0.47 C ATOM 1917 O HIS A 127 7.017 9.770 3.422 1.00 0.44 O ATOM 1918 CB HIS A 127 9.218 11.164 2.155 1.00 0.72 C ATOM 1919 CG HIS A 127 10.489 11.844 1.748 1.00 1.15 C ATOM 1920 ND1 HIS A 127 10.874 13.066 2.249 1.00 1.70 N ATOM 1921 CD2 HIS A 127 11.460 11.473 0.881 1.00 1.99 C ATOM 1922 CE1 HIS A 127 12.026 13.418 1.710 1.00 2.29 C ATOM 1923 NE2 HIS A 127 12.406 12.469 0.875 1.00 2.47 N ATOM 0 H HIS A 127 9.093 8.258 2.615 1.00 0.56 H new ATOM 0 HA HIS A 127 10.102 10.609 4.035 1.00 0.58 H new ATOM 0 HB2 HIS A 127 8.828 10.609 1.302 1.00 0.72 H new ATOM 0 HB3 HIS A 127 8.478 11.924 2.406 1.00 0.72 H new ATOM 0 HD2 HIS A 127 11.486 10.562 0.301 1.00 1.99 H new ATOM 0 HE1 HIS A 127 12.567 14.329 1.917 1.00 2.29 H new ATOM 0 HE2 HIS A 127 13.260 12.474 0.318 1.00 2.47 H new ATOM 1932 N PRO A 128 7.977 10.358 5.359 1.00 0.47 N ATOM 1933 CA PRO A 128 6.751 10.282 6.172 1.00 0.43 C ATOM 1934 C PRO A 128 5.640 11.186 5.652 1.00 0.40 C ATOM 1935 O PRO A 128 4.458 10.875 5.800 1.00 0.39 O ATOM 1936 CB PRO A 128 7.191 10.715 7.563 1.00 0.53 C ATOM 1937 CG PRO A 128 8.467 11.454 7.351 1.00 0.79 C ATOM 1938 CD PRO A 128 9.126 10.796 6.169 1.00 0.60 C ATOM 0 HA PRO A 128 6.327 9.278 6.149 1.00 0.43 H new ATOM 0 HB2 PRO A 128 6.441 11.350 8.034 1.00 0.53 H new ATOM 0 HB3 PRO A 128 7.337 9.855 8.216 1.00 0.53 H new ATOM 0 HG2 PRO A 128 8.280 12.510 7.158 1.00 0.79 H new ATOM 0 HG3 PRO A 128 9.103 11.399 8.235 1.00 0.79 H new ATOM 0 HD2 PRO A 128 9.765 11.490 5.623 1.00 0.60 H new ATOM 0 HD3 PRO A 128 9.752 9.956 6.470 1.00 0.60 H new ATOM 1946 N ASN A 129 6.021 12.352 5.124 1.00 0.44 N ATOM 1947 CA ASN A 129 5.059 13.326 4.635 1.00 0.47 C ATOM 1948 C ASN A 129 4.334 12.777 3.408 1.00 0.39 C ATOM 1949 O ASN A 129 3.367 13.353 2.917 1.00 0.44 O ATOM 1950 CB ASN A 129 5.782 14.621 4.283 1.00 0.57 C ATOM 1951 CG ASN A 129 4.825 15.757 3.977 1.00 1.07 C ATOM 1952 OD1 ASN A 129 5.043 16.541 3.055 1.00 1.84 O ATOM 1953 ND2 ASN A 129 3.792 15.889 4.794 1.00 1.44 N ATOM 0 H ASN A 129 6.995 12.639 5.027 1.00 0.44 H new ATOM 0 HA ASN A 129 4.322 13.527 5.413 1.00 0.47 H new ATOM 0 HB2 ASN A 129 6.429 14.909 5.112 1.00 0.57 H new ATOM 0 HB3 ASN A 129 6.426 14.451 3.420 1.00 0.57 H new ATOM 0 HD21 ASN A 129 3.140 16.664 4.671 1.00 1.44 H new ATOM 0 HD22 ASN A 129 3.648 15.216 5.547 1.00 1.44 H new ATOM 1960 N LEU A 130 4.822 11.655 2.927 1.00 0.32 N ATOM 1961 CA LEU A 130 4.092 10.828 2.012 1.00 0.26 C ATOM 1962 C LEU A 130 3.424 9.792 2.884 1.00 0.24 C ATOM 1963 O LEU A 130 4.083 9.153 3.706 1.00 0.26 O ATOM 1964 CB LEU A 130 5.053 10.116 1.046 1.00 0.30 C ATOM 1965 CG LEU A 130 5.763 10.963 -0.025 1.00 0.58 C ATOM 1966 CD1 LEU A 130 6.290 12.280 0.523 1.00 1.38 C ATOM 1967 CD2 LEU A 130 6.911 10.159 -0.613 1.00 1.28 C ATOM 0 H LEU A 130 5.745 11.294 3.167 1.00 0.32 H new ATOM 0 HA LEU A 130 3.389 11.409 1.415 1.00 0.26 H new ATOM 0 HB2 LEU A 130 5.820 9.622 1.642 1.00 0.30 H new ATOM 0 HB3 LEU A 130 4.493 9.333 0.535 1.00 0.30 H new ATOM 0 HG LEU A 130 5.029 11.208 -0.792 1.00 0.58 H new ATOM 0 HD11 LEU A 130 6.781 12.836 -0.276 1.00 1.38 H new ATOM 0 HD12 LEU A 130 5.461 12.868 0.918 1.00 1.38 H new ATOM 0 HD13 LEU A 130 7.006 12.082 1.320 1.00 1.38 H new ATOM 0 HD21 LEU A 130 7.419 10.753 -1.373 1.00 1.28 H new ATOM 0 HD22 LEU A 130 7.616 9.900 0.177 1.00 1.28 H new ATOM 0 HD23 LEU A 130 6.522 9.247 -1.065 1.00 1.28 H new ATOM 1979 N PHE A 131 2.158 9.582 2.701 1.00 0.23 N ATOM 1980 CA PHE A 131 1.448 8.671 3.572 1.00 0.27 C ATOM 1981 C PHE A 131 0.277 8.090 2.803 1.00 0.26 C ATOM 1982 O PHE A 131 -0.414 8.814 2.086 1.00 0.26 O ATOM 1983 CB PHE A 131 1.023 9.438 4.833 1.00 0.42 C ATOM 1984 CG PHE A 131 0.766 8.626 6.069 1.00 0.36 C ATOM 1985 CD1 PHE A 131 0.177 7.380 6.012 1.00 0.63 C ATOM 1986 CD2 PHE A 131 1.100 9.148 7.308 1.00 0.65 C ATOM 1987 CE1 PHE A 131 -0.071 6.666 7.164 1.00 0.97 C ATOM 1988 CE2 PHE A 131 0.857 8.439 8.463 1.00 0.96 C ATOM 1989 CZ PHE A 131 0.269 7.195 8.390 1.00 1.05 C ATOM 0 H PHE A 131 1.593 10.017 1.971 1.00 0.23 H new ATOM 0 HA PHE A 131 2.072 7.837 3.894 1.00 0.27 H new ATOM 0 HB2 PHE A 131 1.798 10.169 5.063 1.00 0.42 H new ATOM 0 HB3 PHE A 131 0.117 9.997 4.600 1.00 0.42 H new ATOM 0 HD1 PHE A 131 -0.093 6.960 5.054 1.00 0.63 H new ATOM 0 HD2 PHE A 131 1.557 10.125 7.369 1.00 0.65 H new ATOM 0 HE1 PHE A 131 -0.532 5.691 7.106 1.00 0.97 H new ATOM 0 HE2 PHE A 131 1.126 8.856 9.422 1.00 0.96 H new ATOM 0 HZ PHE A 131 0.075 6.635 9.293 1.00 1.05 H new ATOM 1999 N ILE A 132 0.011 6.818 2.999 1.00 0.28 N ATOM 2000 CA ILE A 132 -0.844 6.084 2.106 1.00 0.27 C ATOM 2001 C ILE A 132 -2.271 6.282 2.531 1.00 0.25 C ATOM 2002 O ILE A 132 -2.766 5.686 3.482 1.00 0.32 O ATOM 2003 CB ILE A 132 -0.451 4.579 2.098 1.00 0.34 C ATOM 2004 CG1 ILE A 132 0.697 4.362 1.123 1.00 0.87 C ATOM 2005 CG2 ILE A 132 -1.628 3.675 1.733 1.00 0.80 C ATOM 2006 CD1 ILE A 132 0.391 4.831 -0.283 1.00 1.39 C ATOM 0 H ILE A 132 0.380 6.271 3.777 1.00 0.28 H new ATOM 0 HA ILE A 132 -0.728 6.453 1.087 1.00 0.27 H new ATOM 0 HB ILE A 132 -0.141 4.309 3.108 1.00 0.34 H new ATOM 0 HG12 ILE A 132 1.579 4.888 1.489 1.00 0.87 H new ATOM 0 HG13 ILE A 132 0.946 3.301 1.098 1.00 0.87 H new ATOM 0 HG21 ILE A 132 -1.304 2.634 1.741 1.00 0.80 H new ATOM 0 HG22 ILE A 132 -2.430 3.811 2.459 1.00 0.80 H new ATOM 0 HG23 ILE A 132 -1.991 3.934 0.739 1.00 0.80 H new ATOM 0 HD11 ILE A 132 1.253 4.646 -0.924 1.00 1.39 H new ATOM 0 HD12 ILE A 132 -0.471 4.287 -0.668 1.00 1.39 H new ATOM 0 HD13 ILE A 132 0.171 5.898 -0.271 1.00 1.39 H new ATOM 2018 N ALA A 133 -2.899 7.179 1.807 1.00 0.22 N ATOM 2019 CA ALA A 133 -4.240 7.609 2.095 1.00 0.23 C ATOM 2020 C ALA A 133 -5.261 6.836 1.300 1.00 0.23 C ATOM 2021 O ALA A 133 -4.993 6.354 0.209 1.00 0.26 O ATOM 2022 CB ALA A 133 -4.375 9.091 1.813 1.00 0.25 C ATOM 0 H ALA A 133 -2.485 7.634 0.993 1.00 0.22 H new ATOM 0 HA ALA A 133 -4.432 7.417 3.151 1.00 0.23 H new ATOM 0 HB1 ALA A 133 -5.393 9.412 2.033 1.00 0.25 H new ATOM 0 HB2 ALA A 133 -3.676 9.646 2.439 1.00 0.25 H new ATOM 0 HB3 ALA A 133 -4.153 9.283 0.763 1.00 0.25 H new ATOM 2028 N THR A 134 -6.430 6.745 1.869 1.00 0.23 N ATOM 2029 CA THR A 134 -7.579 6.189 1.222 1.00 0.25 C ATOM 2030 C THR A 134 -8.712 7.189 1.289 1.00 0.26 C ATOM 2031 O THR A 134 -8.972 7.806 2.325 1.00 0.31 O ATOM 2032 CB THR A 134 -7.978 4.864 1.849 1.00 0.31 C ATOM 2033 OG1 THR A 134 -6.788 4.116 2.073 1.00 0.96 O ATOM 2034 CG2 THR A 134 -8.906 4.100 0.925 1.00 1.01 C ATOM 0 H THR A 134 -6.612 7.065 2.820 1.00 0.23 H new ATOM 0 HA THR A 134 -7.339 5.985 0.178 1.00 0.25 H new ATOM 0 HB THR A 134 -8.506 5.035 2.787 1.00 0.31 H new ATOM 0 HG1 THR A 134 -6.758 3.820 3.007 1.00 0.96 H new ATOM 0 HG21 THR A 134 -9.183 3.153 1.389 1.00 1.01 H new ATOM 0 HG22 THR A 134 -9.804 4.690 0.742 1.00 1.01 H new ATOM 0 HG23 THR A 134 -8.400 3.907 -0.021 1.00 1.01 H new ATOM 2042 N LYS A 135 -9.300 7.415 0.155 1.00 0.28 N ATOM 2043 CA LYS A 135 -10.344 8.406 0.020 1.00 0.31 C ATOM 2044 C LYS A 135 -11.666 7.684 -0.216 1.00 0.40 C ATOM 2045 O LYS A 135 -11.699 6.644 -0.866 1.00 0.47 O ATOM 2046 CB LYS A 135 -10.007 9.375 -1.128 1.00 0.35 C ATOM 2047 CG LYS A 135 -8.565 9.899 -1.087 1.00 0.69 C ATOM 2048 CD LYS A 135 -8.428 11.282 -0.439 1.00 0.76 C ATOM 2049 CE LYS A 135 -6.950 11.646 -0.257 1.00 0.89 C ATOM 2050 NZ LYS A 135 -6.708 13.092 0.043 1.00 0.63 N ATOM 0 H LYS A 135 -9.076 6.922 -0.709 1.00 0.28 H new ATOM 0 HA LYS A 135 -10.427 9.002 0.929 1.00 0.31 H new ATOM 0 HB2 LYS A 135 -10.174 8.870 -2.079 1.00 0.35 H new ATOM 0 HB3 LYS A 135 -10.693 10.221 -1.091 1.00 0.35 H new ATOM 0 HG2 LYS A 135 -7.945 9.189 -0.540 1.00 0.69 H new ATOM 0 HG3 LYS A 135 -8.176 9.944 -2.104 1.00 0.69 H new ATOM 0 HD2 LYS A 135 -8.919 12.031 -1.060 1.00 0.76 H new ATOM 0 HD3 LYS A 135 -8.932 11.289 0.528 1.00 0.76 H new ATOM 0 HE2 LYS A 135 -6.536 11.044 0.552 1.00 0.89 H new ATOM 0 HE3 LYS A 135 -6.407 11.378 -1.163 1.00 0.89 H new ATOM 0 HZ1 LYS A 135 -6.135 13.513 -0.716 1.00 0.63 H new ATOM 0 HZ2 LYS A 135 -7.619 13.590 0.107 1.00 0.63 H new ATOM 0 HZ3 LYS A 135 -6.202 13.179 0.947 1.00 0.63 H new ATOM 2064 N GLN A 136 -12.745 8.252 0.289 1.00 0.49 N ATOM 2065 CA GLN A 136 -14.056 7.615 0.230 1.00 0.63 C ATOM 2066 C GLN A 136 -14.731 7.820 -1.122 1.00 0.58 C ATOM 2067 O GLN A 136 -15.568 7.023 -1.542 1.00 0.69 O ATOM 2068 CB GLN A 136 -14.935 8.149 1.363 1.00 0.82 C ATOM 2069 CG GLN A 136 -16.372 7.662 1.322 1.00 1.05 C ATOM 2070 CD GLN A 136 -17.040 7.714 2.679 1.00 1.14 C ATOM 2071 OE1 GLN A 136 -16.269 7.472 3.729 1.00 1.75 O flip ATOM 2072 NE2 GLN A 136 -18.244 7.943 2.782 1.00 1.20 N flip ATOM 0 H GLN A 136 -12.743 9.162 0.750 1.00 0.49 H new ATOM 0 HA GLN A 136 -13.918 6.541 0.353 1.00 0.63 H new ATOM 0 HB2 GLN A 136 -14.493 7.860 2.317 1.00 0.82 H new ATOM 0 HB3 GLN A 136 -14.932 9.238 1.327 1.00 0.82 H new ATOM 0 HG2 GLN A 136 -16.939 8.271 0.618 1.00 1.05 H new ATOM 0 HG3 GLN A 136 -16.395 6.638 0.948 1.00 1.05 H new ATOM 0 HE21 GLN A 136 -18.802 8.125 1.948 1.00 1.20 H new ATOM 0 HE22 GLN A 136 -18.685 7.951 3.702 1.00 1.20 H new ATOM 2081 N ASP A 137 -14.362 8.892 -1.792 1.00 0.48 N ATOM 2082 CA ASP A 137 -15.057 9.302 -3.015 1.00 0.52 C ATOM 2083 C ASP A 137 -14.085 9.492 -4.168 1.00 0.47 C ATOM 2084 O ASP A 137 -14.407 9.232 -5.326 1.00 0.56 O ATOM 2085 CB ASP A 137 -15.801 10.626 -2.795 1.00 0.63 C ATOM 2086 CG ASP A 137 -16.824 10.568 -1.680 1.00 1.34 C ATOM 2087 OD1 ASP A 137 -17.996 10.250 -1.959 1.00 1.43 O ATOM 2088 OD2 ASP A 137 -16.463 10.876 -0.523 1.00 2.21 O ATOM 0 H ASP A 137 -13.589 9.499 -1.519 1.00 0.48 H new ATOM 0 HA ASP A 137 -15.762 8.508 -3.261 1.00 0.52 H new ATOM 0 HB2 ASP A 137 -15.075 11.408 -2.571 1.00 0.63 H new ATOM 0 HB3 ASP A 137 -16.301 10.911 -3.721 1.00 0.63 H new ATOM 2093 N TYR A 138 -12.901 9.965 -3.834 1.00 0.39 N ATOM 2094 CA TYR A 138 -11.924 10.389 -4.822 1.00 0.38 C ATOM 2095 C TYR A 138 -10.930 9.274 -5.086 1.00 0.32 C ATOM 2096 O TYR A 138 -11.051 8.190 -4.521 1.00 0.31 O ATOM 2097 CB TYR A 138 -11.204 11.649 -4.334 1.00 0.44 C ATOM 2098 CG TYR A 138 -12.146 12.675 -3.741 1.00 0.82 C ATOM 2099 CD1 TYR A 138 -12.798 13.604 -4.542 1.00 0.99 C ATOM 2100 CD2 TYR A 138 -12.396 12.696 -2.375 1.00 1.41 C ATOM 2101 CE1 TYR A 138 -13.673 14.526 -3.995 1.00 1.45 C ATOM 2102 CE2 TYR A 138 -13.265 13.615 -1.823 1.00 1.98 C ATOM 2103 CZ TYR A 138 -13.901 14.527 -2.635 1.00 1.94 C ATOM 2104 OH TYR A 138 -14.774 15.439 -2.084 1.00 2.50 O ATOM 0 H TYR A 138 -12.587 10.067 -2.869 1.00 0.39 H new ATOM 0 HA TYR A 138 -12.437 10.620 -5.756 1.00 0.38 H new ATOM 0 HB2 TYR A 138 -10.462 11.370 -3.586 1.00 0.44 H new ATOM 0 HB3 TYR A 138 -10.664 12.098 -5.167 1.00 0.44 H new ATOM 0 HD1 TYR A 138 -12.619 13.607 -5.607 1.00 0.99 H new ATOM 0 HD2 TYR A 138 -11.902 11.981 -1.734 1.00 1.41 H new ATOM 0 HE1 TYR A 138 -14.175 15.241 -4.630 1.00 1.45 H new ATOM 0 HE2 TYR A 138 -13.445 13.619 -0.758 1.00 1.98 H new ATOM 0 HH TYR A 138 -14.821 15.303 -1.115 1.00 2.50 H new ATOM 2114 N TRP A 139 -9.943 9.542 -5.924 1.00 0.34 N ATOM 2115 CA TRP A 139 -8.889 8.574 -6.164 1.00 0.33 C ATOM 2116 C TRP A 139 -8.029 8.450 -4.914 1.00 0.30 C ATOM 2117 O TRP A 139 -7.988 9.359 -4.081 1.00 0.32 O ATOM 2118 CB TRP A 139 -8.011 9.010 -7.341 1.00 0.40 C ATOM 2119 CG TRP A 139 -8.754 9.175 -8.630 1.00 1.19 C ATOM 2120 CD1 TRP A 139 -9.317 8.190 -9.388 1.00 2.40 C ATOM 2121 CD2 TRP A 139 -8.998 10.405 -9.323 1.00 1.47 C ATOM 2122 NE1 TRP A 139 -9.902 8.731 -10.506 1.00 3.09 N ATOM 2123 CE2 TRP A 139 -9.720 10.089 -10.490 1.00 2.48 C ATOM 2124 CE3 TRP A 139 -8.680 11.743 -9.070 1.00 1.75 C ATOM 2125 CZ2 TRP A 139 -10.128 11.059 -11.398 1.00 2.99 C ATOM 2126 CZ3 TRP A 139 -9.087 12.706 -9.974 1.00 2.37 C ATOM 2127 CH2 TRP A 139 -9.804 12.360 -11.127 1.00 2.74 C ATOM 0 H TRP A 139 -9.850 10.414 -6.445 1.00 0.34 H new ATOM 0 HA TRP A 139 -9.344 7.613 -6.405 1.00 0.33 H new ATOM 0 HB2 TRP A 139 -7.527 9.954 -7.089 1.00 0.40 H new ATOM 0 HB3 TRP A 139 -7.219 8.274 -7.482 1.00 0.40 H new ATOM 0 HD1 TRP A 139 -9.304 7.138 -9.144 1.00 2.40 H new ATOM 0 HE1 TRP A 139 -10.392 8.207 -11.231 1.00 3.09 H new ATOM 0 HE3 TRP A 139 -8.127 12.019 -8.185 1.00 1.75 H new ATOM 0 HZ2 TRP A 139 -10.682 10.795 -12.287 1.00 2.99 H new ATOM 0 HZ3 TRP A 139 -8.848 13.743 -9.789 1.00 2.37 H new ATOM 0 HH2 TRP A 139 -10.107 13.135 -11.815 1.00 2.74 H new ATOM 2138 N VAL A 140 -7.351 7.326 -4.785 1.00 0.30 N ATOM 2139 CA VAL A 140 -6.495 7.076 -3.646 1.00 0.33 C ATOM 2140 C VAL A 140 -5.276 7.973 -3.718 1.00 0.30 C ATOM 2141 O VAL A 140 -4.367 7.759 -4.519 1.00 0.32 O ATOM 2142 CB VAL A 140 -6.082 5.589 -3.588 1.00 0.44 C ATOM 2143 CG1 VAL A 140 -4.945 5.358 -2.604 1.00 1.58 C ATOM 2144 CG2 VAL A 140 -7.281 4.736 -3.216 1.00 1.28 C ATOM 0 H VAL A 140 -7.379 6.565 -5.464 1.00 0.30 H new ATOM 0 HA VAL A 140 -7.045 7.303 -2.733 1.00 0.33 H new ATOM 0 HB VAL A 140 -5.723 5.301 -4.576 1.00 0.44 H new ATOM 0 HG11 VAL A 140 -4.683 4.300 -2.592 1.00 1.58 H new ATOM 0 HG12 VAL A 140 -4.077 5.943 -2.907 1.00 1.58 H new ATOM 0 HG13 VAL A 140 -5.259 5.665 -1.606 1.00 1.58 H new ATOM 0 HG21 VAL A 140 -6.984 3.688 -3.177 1.00 1.28 H new ATOM 0 HG22 VAL A 140 -7.658 5.043 -2.240 1.00 1.28 H new ATOM 0 HG23 VAL A 140 -8.064 4.863 -3.964 1.00 1.28 H new ATOM 2154 N CYS A 141 -5.285 8.998 -2.890 1.00 0.30 N ATOM 2155 CA CYS A 141 -4.233 9.982 -2.917 1.00 0.26 C ATOM 2156 C CYS A 141 -3.274 9.739 -1.759 1.00 0.25 C ATOM 2157 O CYS A 141 -3.234 8.657 -1.177 1.00 0.29 O ATOM 2158 CB CYS A 141 -4.871 11.382 -2.835 1.00 0.33 C ATOM 2159 SG CYS A 141 -3.741 12.777 -3.083 1.00 1.21 S ATOM 0 H CYS A 141 -6.010 9.167 -2.193 1.00 0.30 H new ATOM 0 HA CYS A 141 -3.661 9.908 -3.842 1.00 0.26 H new ATOM 0 HB2 CYS A 141 -5.664 11.444 -3.580 1.00 0.33 H new ATOM 0 HB3 CYS A 141 -5.342 11.489 -1.858 1.00 0.33 H new ATOM 0 HG CYS A 141 -4.032 13.726 -2.243 1.00 1.21 H new ATOM 2165 N LEU A 142 -2.527 10.758 -1.430 1.00 0.21 N ATOM 2166 CA LEU A 142 -1.492 10.698 -0.446 1.00 0.23 C ATOM 2167 C LEU A 142 -1.602 11.965 0.362 1.00 0.24 C ATOM 2168 O LEU A 142 -2.182 12.926 -0.115 1.00 0.23 O ATOM 2169 CB LEU A 142 -0.177 10.601 -1.245 1.00 0.21 C ATOM 2170 CG LEU A 142 1.099 10.257 -0.499 1.00 0.22 C ATOM 2171 CD1 LEU A 142 1.217 8.755 -0.313 1.00 0.23 C ATOM 2172 CD2 LEU A 142 2.306 10.782 -1.257 1.00 0.25 C ATOM 0 H LEU A 142 -2.629 11.679 -1.855 1.00 0.21 H new ATOM 0 HA LEU A 142 -1.549 9.855 0.243 1.00 0.23 H new ATOM 0 HB2 LEU A 142 -0.317 9.853 -2.025 1.00 0.21 H new ATOM 0 HB3 LEU A 142 -0.021 11.557 -1.745 1.00 0.21 H new ATOM 0 HG LEU A 142 1.063 10.729 0.483 1.00 0.22 H new ATOM 0 HD11 LEU A 142 2.138 8.526 0.224 1.00 0.23 H new ATOM 0 HD12 LEU A 142 0.363 8.391 0.259 1.00 0.23 H new ATOM 0 HD13 LEU A 142 1.235 8.268 -1.288 1.00 0.23 H new ATOM 0 HD21 LEU A 142 3.216 10.529 -0.712 1.00 0.25 H new ATOM 0 HD22 LEU A 142 2.339 10.329 -2.248 1.00 0.25 H new ATOM 0 HD23 LEU A 142 2.231 11.865 -1.355 1.00 0.25 H new ATOM 2184 N ALA A 143 -1.169 11.933 1.592 1.00 0.34 N ATOM 2185 CA ALA A 143 -0.761 13.119 2.291 1.00 0.33 C ATOM 2186 C ALA A 143 -0.087 12.671 3.543 1.00 0.60 C ATOM 2187 O ALA A 143 -0.422 11.629 4.067 1.00 0.91 O ATOM 2188 CB ALA A 143 -1.950 14.012 2.622 1.00 0.38 C ATOM 0 H ALA A 143 -1.089 11.077 2.141 1.00 0.34 H new ATOM 0 HA ALA A 143 -0.091 13.710 1.667 1.00 0.33 H new ATOM 0 HB1 ALA A 143 -1.602 14.900 3.151 1.00 0.38 H new ATOM 0 HB2 ALA A 143 -2.448 14.311 1.700 1.00 0.38 H new ATOM 0 HB3 ALA A 143 -2.651 13.465 3.253 1.00 0.38 H new ATOM 2194 N GLY A 144 0.793 13.467 4.068 1.00 0.63 N ATOM 2195 CA GLY A 144 1.343 13.163 5.360 1.00 0.93 C ATOM 2196 C GLY A 144 0.578 13.919 6.386 1.00 0.93 C ATOM 2197 O GLY A 144 1.107 14.294 7.430 1.00 1.13 O ATOM 0 H GLY A 144 1.144 14.320 3.633 1.00 0.63 H new ATOM 0 HA2 GLY A 144 1.283 12.092 5.555 1.00 0.93 H new ATOM 0 HA3 GLY A 144 2.398 13.435 5.397 1.00 0.93 H new ATOM 2201 N GLY A 145 -0.690 14.119 6.090 1.00 0.94 N ATOM 2202 CA GLY A 145 -1.438 15.100 6.838 1.00 1.38 C ATOM 2203 C GLY A 145 -2.925 15.090 6.584 1.00 1.61 C ATOM 2204 O GLY A 145 -3.473 14.096 6.108 1.00 1.48 O ATOM 0 H GLY A 145 -1.209 13.631 5.360 1.00 0.94 H new ATOM 0 HA2 GLY A 145 -1.264 14.936 7.901 1.00 1.38 H new ATOM 0 HA3 GLY A 145 -1.050 16.091 6.601 1.00 1.38 H new ATOM 2208 N PRO A 146 -3.568 16.223 6.949 1.00 2.13 N ATOM 2209 CA PRO A 146 -5.006 16.480 6.946 1.00 2.27 C ATOM 2210 C PRO A 146 -5.889 15.522 6.146 1.00 1.59 C ATOM 2211 O PRO A 146 -5.554 15.126 5.032 1.00 2.15 O ATOM 2212 CB PRO A 146 -5.043 17.884 6.347 1.00 3.57 C ATOM 2213 CG PRO A 146 -3.780 18.541 6.827 1.00 3.98 C ATOM 2214 CD PRO A 146 -2.890 17.449 7.380 1.00 2.93 C ATOM 0 HA PRO A 146 -5.424 16.352 7.944 1.00 2.27 H new ATOM 0 HB2 PRO A 146 -5.081 17.848 5.258 1.00 3.57 H new ATOM 0 HB3 PRO A 146 -5.925 18.432 6.679 1.00 3.57 H new ATOM 0 HG2 PRO A 146 -3.284 19.065 6.010 1.00 3.98 H new ATOM 0 HG3 PRO A 146 -4.000 19.283 7.594 1.00 3.98 H new ATOM 0 HD2 PRO A 146 -1.878 17.512 6.981 1.00 2.93 H new ATOM 0 HD3 PRO A 146 -2.809 17.505 8.466 1.00 2.93 H new ATOM 2222 N PRO A 147 -7.126 15.363 6.671 1.00 1.33 N ATOM 2223 CA PRO A 147 -8.148 14.345 6.407 1.00 1.05 C ATOM 2224 C PRO A 147 -7.942 13.228 5.363 1.00 0.70 C ATOM 2225 O PRO A 147 -8.930 12.590 4.996 1.00 0.86 O ATOM 2226 CB PRO A 147 -9.319 15.251 6.062 1.00 1.57 C ATOM 2227 CG PRO A 147 -9.173 16.397 7.028 1.00 2.12 C ATOM 2228 CD PRO A 147 -7.755 16.327 7.579 1.00 2.10 C ATOM 0 HA PRO A 147 -8.219 13.675 7.264 1.00 1.05 H new ATOM 0 HB2 PRO A 147 -9.273 15.590 5.027 1.00 1.57 H new ATOM 0 HB3 PRO A 147 -10.273 14.739 6.188 1.00 1.57 H new ATOM 0 HG2 PRO A 147 -9.347 17.350 6.528 1.00 2.12 H new ATOM 0 HG3 PRO A 147 -9.905 16.321 7.832 1.00 2.12 H new ATOM 0 HD2 PRO A 147 -7.258 17.297 7.553 1.00 2.10 H new ATOM 0 HD3 PRO A 147 -7.735 15.986 8.614 1.00 2.10 H new ATOM 2236 N SER A 148 -6.740 12.956 4.865 1.00 0.49 N ATOM 2237 CA SER A 148 -6.570 11.781 4.062 1.00 0.43 C ATOM 2238 C SER A 148 -6.636 10.579 4.989 1.00 0.37 C ATOM 2239 O SER A 148 -5.927 10.526 5.996 1.00 0.37 O ATOM 2240 CB SER A 148 -5.233 11.852 3.332 1.00 0.57 C ATOM 2241 OG SER A 148 -5.172 13.002 2.504 1.00 0.64 O ATOM 0 H SER A 148 -5.902 13.521 5.004 1.00 0.49 H new ATOM 0 HA SER A 148 -7.351 11.699 3.306 1.00 0.43 H new ATOM 0 HB2 SER A 148 -4.419 11.876 4.056 1.00 0.57 H new ATOM 0 HB3 SER A 148 -5.095 10.955 2.728 1.00 0.57 H new ATOM 0 HG SER A 148 -4.381 12.949 1.928 1.00 0.64 H new ATOM 2247 N ILE A 149 -7.485 9.626 4.662 1.00 0.37 N ATOM 2248 CA ILE A 149 -7.693 8.487 5.532 1.00 0.32 C ATOM 2249 C ILE A 149 -6.757 7.367 5.171 1.00 0.26 C ATOM 2250 O ILE A 149 -7.018 6.536 4.303 1.00 0.29 O ATOM 2251 CB ILE A 149 -9.153 8.022 5.567 1.00 0.35 C ATOM 2252 CG1 ILE A 149 -10.028 9.180 6.061 1.00 0.57 C ATOM 2253 CG2 ILE A 149 -9.315 6.803 6.466 1.00 0.56 C ATOM 2254 CD1 ILE A 149 -9.669 9.677 7.447 1.00 1.21 C ATOM 0 H ILE A 149 -8.039 9.617 3.806 1.00 0.37 H new ATOM 0 HA ILE A 149 -7.462 8.812 6.546 1.00 0.32 H new ATOM 0 HB ILE A 149 -9.464 7.731 4.564 1.00 0.35 H new ATOM 0 HG12 ILE A 149 -9.948 10.008 5.357 1.00 0.57 H new ATOM 0 HG13 ILE A 149 -11.070 8.861 6.060 1.00 0.57 H new ATOM 0 HG21 ILE A 149 -10.360 6.493 6.474 1.00 0.56 H new ATOM 0 HG22 ILE A 149 -8.697 5.988 6.089 1.00 0.56 H new ATOM 0 HG23 ILE A 149 -9.004 7.055 7.480 1.00 0.56 H new ATOM 0 HD11 ILE A 149 -10.333 10.496 7.723 1.00 1.21 H new ATOM 0 HD12 ILE A 149 -9.778 8.864 8.165 1.00 1.21 H new ATOM 0 HD13 ILE A 149 -8.638 10.029 7.451 1.00 1.21 H new ATOM 2266 N THR A 150 -5.665 7.357 5.870 1.00 0.24 N ATOM 2267 CA THR A 150 -4.587 6.468 5.584 1.00 0.25 C ATOM 2268 C THR A 150 -4.828 5.209 6.372 1.00 0.26 C ATOM 2269 O THR A 150 -3.923 4.599 6.919 1.00 0.34 O ATOM 2270 CB THR A 150 -3.241 7.121 6.004 1.00 0.28 C ATOM 2271 OG1 THR A 150 -3.300 7.548 7.375 1.00 0.53 O ATOM 2272 CG2 THR A 150 -2.934 8.335 5.143 1.00 0.69 C ATOM 0 H THR A 150 -5.497 7.974 6.665 1.00 0.24 H new ATOM 0 HA THR A 150 -4.534 6.246 4.518 1.00 0.25 H new ATOM 0 HB THR A 150 -2.460 6.372 5.874 1.00 0.28 H new ATOM 0 HG1 THR A 150 -2.415 7.455 7.785 1.00 0.53 H new ATOM 0 HG21 THR A 150 -1.987 8.774 5.457 1.00 0.69 H new ATOM 0 HG22 THR A 150 -2.865 8.032 4.098 1.00 0.69 H new ATOM 0 HG23 THR A 150 -3.730 9.071 5.255 1.00 0.69 H new ATOM 2280 N ASP A 151 -6.088 4.847 6.446 1.00 0.25 N ATOM 2281 CA ASP A 151 -6.469 3.671 7.097 1.00 0.25 C ATOM 2282 C ASP A 151 -6.632 2.575 6.091 1.00 0.26 C ATOM 2283 O ASP A 151 -6.981 2.801 4.947 1.00 0.27 O ATOM 2284 CB ASP A 151 -7.714 3.908 7.908 1.00 0.29 C ATOM 2285 CG ASP A 151 -7.449 4.716 9.164 1.00 0.79 C ATOM 2286 OD1 ASP A 151 -7.467 5.962 9.088 1.00 1.07 O ATOM 2287 OD2 ASP A 151 -7.249 4.115 10.236 1.00 1.25 O ATOM 0 H ASP A 151 -6.861 5.380 6.047 1.00 0.25 H new ATOM 0 HA ASP A 151 -5.694 3.359 7.797 1.00 0.25 H new ATOM 0 HB2 ASP A 151 -8.449 4.429 7.294 1.00 0.29 H new ATOM 0 HB3 ASP A 151 -8.151 2.948 8.184 1.00 0.29 H new ATOM 2292 N PHE A 152 -6.301 1.423 6.514 1.00 0.27 N ATOM 2293 CA PHE A 152 -6.674 0.217 5.858 1.00 0.27 C ATOM 2294 C PHE A 152 -7.084 -0.759 6.935 1.00 0.28 C ATOM 2295 O PHE A 152 -6.858 -0.516 8.103 1.00 0.30 O ATOM 2296 CB PHE A 152 -5.532 -0.311 4.973 1.00 0.30 C ATOM 2297 CG PHE A 152 -4.967 -1.660 5.345 1.00 1.46 C ATOM 2298 CD1 PHE A 152 -3.946 -1.760 6.277 1.00 2.11 C ATOM 2299 CD2 PHE A 152 -5.466 -2.820 4.780 1.00 2.12 C ATOM 2300 CE1 PHE A 152 -3.432 -2.990 6.633 1.00 3.33 C ATOM 2301 CE2 PHE A 152 -4.954 -4.054 5.133 1.00 3.35 C ATOM 2302 CZ PHE A 152 -3.920 -4.148 5.999 1.00 3.93 C ATOM 0 H PHE A 152 -5.743 1.276 7.355 1.00 0.27 H new ATOM 0 HA PHE A 152 -7.509 0.378 5.176 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -5.891 -0.362 3.945 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -4.721 0.417 4.991 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -3.548 -0.864 6.730 1.00 2.11 H new ATOM 0 HD2 PHE A 152 -6.264 -2.760 4.055 1.00 2.12 H new ATOM 0 HE1 PHE A 152 -2.664 -3.063 7.389 1.00 3.33 H new ATOM 0 HE2 PHE A 152 -5.384 -4.952 4.713 1.00 3.35 H new ATOM 0 HZ PHE A 152 -3.470 -5.108 6.204 1.00 3.93 H new ATOM 2312 N GLN A 153 -7.680 -1.833 6.528 1.00 0.30 N ATOM 2313 CA GLN A 153 -8.234 -2.823 7.419 1.00 0.33 C ATOM 2314 C GLN A 153 -8.429 -4.082 6.615 1.00 0.38 C ATOM 2315 O GLN A 153 -8.738 -4.008 5.422 1.00 0.44 O ATOM 2316 CB GLN A 153 -9.546 -2.348 8.064 1.00 0.44 C ATOM 2317 CG GLN A 153 -10.676 -2.082 7.085 1.00 0.70 C ATOM 2318 CD GLN A 153 -11.980 -1.775 7.787 1.00 0.63 C ATOM 2319 OE1 GLN A 153 -12.747 -2.678 8.123 1.00 1.27 O ATOM 2320 NE2 GLN A 153 -12.252 -0.501 7.995 1.00 1.20 N ATOM 0 H GLN A 153 -7.803 -2.060 5.541 1.00 0.30 H new ATOM 0 HA GLN A 153 -7.553 -3.004 8.251 1.00 0.33 H new ATOM 0 HB2 GLN A 153 -9.875 -3.100 8.782 1.00 0.44 H new ATOM 0 HB3 GLN A 153 -9.349 -1.435 8.626 1.00 0.44 H new ATOM 0 HG2 GLN A 153 -10.407 -1.245 6.441 1.00 0.70 H new ATOM 0 HG3 GLN A 153 -10.808 -2.951 6.441 1.00 0.70 H new ATOM 0 HE21 GLN A 153 -11.589 0.217 7.701 1.00 1.20 H new ATOM 0 HE22 GLN A 153 -13.125 -0.234 8.450 1.00 1.20 H new ATOM 2329 N ILE A 154 -8.235 -5.230 7.223 1.00 0.43 N ATOM 2330 CA ILE A 154 -8.155 -6.445 6.452 1.00 0.45 C ATOM 2331 C ILE A 154 -9.527 -7.076 6.349 1.00 0.44 C ATOM 2332 O ILE A 154 -10.127 -7.505 7.339 1.00 0.49 O ATOM 2333 CB ILE A 154 -7.180 -7.455 7.103 1.00 0.56 C ATOM 2334 CG1 ILE A 154 -5.766 -6.869 7.165 1.00 1.14 C ATOM 2335 CG2 ILE A 154 -7.184 -8.772 6.342 1.00 1.53 C ATOM 2336 CD1 ILE A 154 -4.762 -7.764 7.864 1.00 1.63 C ATOM 0 H ILE A 154 -8.132 -5.346 8.231 1.00 0.43 H new ATOM 0 HA ILE A 154 -7.784 -6.192 5.459 1.00 0.45 H new ATOM 0 HB ILE A 154 -7.516 -7.651 8.121 1.00 0.56 H new ATOM 0 HG12 ILE A 154 -5.419 -6.673 6.150 1.00 1.14 H new ATOM 0 HG13 ILE A 154 -5.803 -5.909 7.680 1.00 1.14 H new ATOM 0 HG21 ILE A 154 -6.492 -9.468 6.816 1.00 1.53 H new ATOM 0 HG22 ILE A 154 -8.188 -9.195 6.352 1.00 1.53 H new ATOM 0 HG23 ILE A 154 -6.874 -8.598 5.312 1.00 1.53 H new ATOM 0 HD11 ILE A 154 -3.785 -7.281 7.868 1.00 1.63 H new ATOM 0 HD12 ILE A 154 -5.084 -7.940 8.890 1.00 1.63 H new ATOM 0 HD13 ILE A 154 -4.694 -8.716 7.337 1.00 1.63 H new ATOM 2348 N LEU A 155 -10.004 -7.115 5.120 1.00 0.43 N ATOM 2349 CA LEU A 155 -11.314 -7.636 4.808 1.00 0.44 C ATOM 2350 C LEU A 155 -11.172 -9.001 4.156 1.00 0.57 C ATOM 2351 O LEU A 155 -10.549 -9.139 3.113 1.00 0.67 O ATOM 2352 CB LEU A 155 -12.083 -6.693 3.861 1.00 0.53 C ATOM 2353 CG LEU A 155 -12.420 -5.282 4.388 1.00 0.46 C ATOM 2354 CD1 LEU A 155 -13.612 -4.730 3.621 1.00 0.82 C ATOM 2355 CD2 LEU A 155 -12.717 -5.312 5.880 1.00 0.73 C ATOM 0 H LEU A 155 -9.487 -6.783 4.306 1.00 0.43 H new ATOM 0 HA LEU A 155 -11.878 -7.719 5.737 1.00 0.44 H new ATOM 0 HB2 LEU A 155 -11.498 -6.581 2.948 1.00 0.53 H new ATOM 0 HB3 LEU A 155 -13.017 -7.182 3.584 1.00 0.53 H new ATOM 0 HG LEU A 155 -11.557 -4.634 4.235 1.00 0.46 H new ATOM 0 HD11 LEU A 155 -13.853 -3.733 3.991 1.00 0.82 H new ATOM 0 HD12 LEU A 155 -13.368 -4.674 2.560 1.00 0.82 H new ATOM 0 HD13 LEU A 155 -14.471 -5.386 3.762 1.00 0.82 H new ATOM 0 HD21 LEU A 155 -12.951 -4.305 6.225 1.00 0.73 H new ATOM 0 HD22 LEU A 155 -13.568 -5.967 6.069 1.00 0.73 H new ATOM 0 HD23 LEU A 155 -11.845 -5.686 6.417 1.00 0.73 H new ATOM 2367 N GLU A 156 -11.725 -10.007 4.786 1.00 0.67 N ATOM 2368 CA GLU A 156 -11.716 -11.344 4.236 1.00 0.89 C ATOM 2369 C GLU A 156 -12.920 -11.464 3.317 1.00 0.99 C ATOM 2370 O GLU A 156 -13.879 -10.727 3.485 1.00 0.90 O ATOM 2371 CB GLU A 156 -11.793 -12.360 5.377 1.00 1.04 C ATOM 2372 CG GLU A 156 -11.582 -13.802 4.958 1.00 1.58 C ATOM 2373 CD GLU A 156 -11.710 -14.751 6.129 1.00 2.05 C ATOM 2374 OE1 GLU A 156 -12.848 -15.157 6.453 1.00 2.57 O ATOM 2375 OE2 GLU A 156 -10.669 -15.120 6.711 1.00 2.53 O ATOM 0 H GLU A 156 -12.192 -9.926 5.689 1.00 0.67 H new ATOM 0 HA GLU A 156 -10.802 -11.539 3.675 1.00 0.89 H new ATOM 0 HB2 GLU A 156 -11.046 -12.101 6.127 1.00 1.04 H new ATOM 0 HB3 GLU A 156 -12.768 -12.274 5.856 1.00 1.04 H new ATOM 0 HG2 GLU A 156 -12.311 -14.069 4.193 1.00 1.58 H new ATOM 0 HG3 GLU A 156 -10.595 -13.909 4.509 1.00 1.58 H new ATOM 2382 N ASN A 157 -12.874 -12.372 2.358 1.00 1.23 N ATOM 2383 CA ASN A 157 -13.923 -12.459 1.343 1.00 1.41 C ATOM 2384 C ASN A 157 -15.071 -13.337 1.831 1.00 1.66 C ATOM 2385 O ASN A 157 -14.943 -14.051 2.831 1.00 1.82 O ATOM 2386 CB ASN A 157 -13.358 -12.996 0.018 1.00 1.68 C ATOM 2387 CG ASN A 157 -13.459 -14.502 -0.145 1.00 2.14 C ATOM 2388 OD1 ASN A 157 -13.432 -15.249 0.821 1.00 2.67 O ATOM 2389 ND2 ASN A 157 -13.565 -14.959 -1.383 1.00 2.44 N ATOM 0 H ASN A 157 -12.127 -13.059 2.256 1.00 1.23 H new ATOM 0 HA ASN A 157 -14.309 -11.455 1.166 1.00 1.41 H new ATOM 0 HB2 ASN A 157 -13.885 -12.518 -0.808 1.00 1.68 H new ATOM 0 HB3 ASN A 157 -12.311 -12.704 -0.061 1.00 1.68 H new ATOM 0 HD21 ASN A 157 -13.627 -15.963 -1.552 1.00 2.44 H new ATOM 0 HD22 ASN A 157 -13.585 -14.307 -2.167 1.00 2.44 H new ATOM 2396 N GLN A 158 -16.184 -13.267 1.133 1.00 1.77 N ATOM 2397 CA GLN A 158 -17.393 -13.958 1.544 1.00 2.06 C ATOM 2398 C GLN A 158 -17.284 -15.440 1.225 1.00 2.49 C ATOM 2399 O GLN A 158 -17.446 -16.298 2.094 1.00 2.73 O ATOM 2400 CB GLN A 158 -18.610 -13.361 0.834 1.00 2.08 C ATOM 2401 CG GLN A 158 -19.937 -13.847 1.389 1.00 2.54 C ATOM 2402 CD GLN A 158 -20.223 -13.289 2.767 1.00 2.68 C ATOM 2403 OE1 GLN A 158 -19.858 -13.880 3.783 1.00 3.15 O ATOM 2404 NE2 GLN A 158 -20.878 -12.141 2.807 1.00 2.98 N ATOM 0 H GLN A 158 -16.279 -12.733 0.269 1.00 1.77 H new ATOM 0 HA GLN A 158 -17.516 -13.835 2.620 1.00 2.06 H new ATOM 0 HB2 GLN A 158 -18.569 -12.275 0.912 1.00 2.08 H new ATOM 0 HB3 GLN A 158 -18.558 -13.606 -0.227 1.00 2.08 H new ATOM 0 HG2 GLN A 158 -20.739 -13.560 0.710 1.00 2.54 H new ATOM 0 HG3 GLN A 158 -19.932 -14.936 1.434 1.00 2.54 H new ATOM 0 HE21 GLN A 158 -21.162 -11.685 1.940 1.00 2.98 H new ATOM 0 HE22 GLN A 158 -21.099 -11.711 3.705 1.00 2.98 H new ATOM 2413 N ALA A 159 -16.991 -15.720 -0.034 1.00 2.67 N ATOM 2414 CA ALA A 159 -16.884 -17.082 -0.516 1.00 3.14 C ATOM 2415 C ALA A 159 -15.725 -17.198 -1.492 1.00 3.38 C ATOM 2416 O ALA A 159 -15.904 -16.856 -2.677 1.00 3.55 O ATOM 2417 CB ALA A 159 -18.186 -17.508 -1.176 1.00 3.37 C ATOM 2418 OXT ALA A 159 -14.629 -17.611 -1.071 1.00 3.78 O ATOM 0 H ALA A 159 -16.822 -15.010 -0.747 1.00 2.67 H new ATOM 0 HA ALA A 159 -16.694 -17.745 0.328 1.00 3.14 H new ATOM 0 HB1 ALA A 159 -18.094 -18.533 -1.534 1.00 3.37 H new ATOM 0 HB2 ALA A 159 -18.998 -17.449 -0.451 1.00 3.37 H new ATOM 0 HB3 ALA A 159 -18.401 -16.848 -2.016 1.00 3.37 H new TER 2424 ALA A 159