USER MOD reduce.3.24.130724 H: found=0, std=0, add=1120, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1120 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 121 ASN : amide:sc= 1.82 K(o=2.4,f=-3.3!) USER MOD Set 1.2: A 123 THR OG1 : rot 76:sc= 0.545 USER MOD Set 2.1: A 57 GLN :FLIP amide:sc= -3.35 F(o=-6.2!,f=-5.6) USER MOD Set 2.2: A 58 ASN : amide:sc= -2.24! C(o=-5.6!,f=-9.7!) USER MOD Set 3.1: A 42 MET CE :methyl -154:sc= -0.517 (180deg=-0.948) USER MOD Set 3.2: A 48 SER OG : rot 162:sc= 1.32 USER MOD Set 3.3: A 66 HIS : no HE2:sc= -4.75! C(o=-3.9!,f=-12!) USER MOD Set 4.1: A 40 LYS NZ :NH3+ -169:sc= 0.0184 (180deg=-0.616) USER MOD Set 4.2: A 76 THR OG1 : rot 74:sc= 0.799 USER MOD Set 5.1: A 1 GLN :FLIP amide:sc= -2.14! F(o=-5.4,f=-3.9!) USER MOD Set 5.2: A 3 GLN :FLIP amide:sc= -1.79! C(o=-5.4!,f=-3.9!) USER MOD Single : A 1 GLN N :NH3+ -119:sc= 0.189 (180deg=-0.00572) USER MOD Single : A 5 LYS NZ :NH3+ 164:sc= 0.182 (180deg=0.106) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 30:sc= -0.812 USER MOD Single : A 17 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.57) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0354) USER MOD Single : A 32 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.21) USER MOD Single : A 37 THR OG1 : rot -39:sc= 1.34 USER MOD Single : A 39 CYS SG : rot -53:sc= -3.02! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 163:sc= -2.72! (180deg=-4.04!) USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= -0.053 (180deg=-0.306) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc=-0.00174 (180deg=-0.131) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.87! C(o=-1.9!,f=-3.1!) USER MOD Single : A 68 ASN : amide:sc= -1.16! X(o=-1.2!,f=-0.72) USER MOD Single : A 72 HIS : no HE2:sc= -4.06 K(o=-4.1,f=-7.1!) USER MOD Single : A 81 GLN : amide:sc= 0.531 K(o=0.53,f=-0.02) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 165:sc= 1.09 (180deg=0.809) USER MOD Single : A 89 LYS NZ :NH3+ -139:sc= 0.939 (180deg=0.0831) USER MOD Single : A 96 LYS NZ :NH3+ -179:sc= 0.741 (180deg=0.726) USER MOD Single : A 97 LYS NZ :NH3+ -170:sc= -0.0325 (180deg=-0.176) USER MOD Single : A 108 SER OG : rot 65:sc= 1.22 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -143:sc= 2 (180deg=0.79) USER MOD Single : A 112 MET CE :methyl -159:sc= -0.162 (180deg=-0.827) USER MOD Single : A 113 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.386) USER MOD Single : A 115 MET CE :methyl 159:sc= -0.553 (180deg=-1.79!) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc=-0.000884 K(o=-0.00088,f=-1.3) USER MOD Single : A 130 LYS NZ :NH3+ -152:sc= -1.94! (180deg=-3.32!) USER MOD Single : A 131 SER OG : rot 180:sc= -0.0358 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.307 14.961 -11.820 1.00 0.76 N ATOM 2 CA GLN A 1 -10.352 14.767 -10.709 1.00 0.55 C ATOM 3 C GLN A 1 -9.174 13.944 -11.200 1.00 0.49 C ATOM 4 O GLN A 1 -9.129 13.565 -12.371 1.00 0.60 O ATOM 5 CB GLN A 1 -11.036 14.064 -9.528 1.00 0.52 C ATOM 6 CG GLN A 1 -11.285 12.582 -9.734 1.00 0.69 C ATOM 7 CD GLN A 1 -12.279 12.020 -8.739 1.00 0.71 C ATOM 8 OE1 GLN A 1 -12.162 10.741 -8.445 1.00 1.40 O flip ATOM 9 NE2 GLN A 1 -13.161 12.725 -8.259 1.00 0.88 N flip ATOM 0 H1 GLN A 1 -11.406 15.977 -12.019 1.00 0.76 H new ATOM 0 H2 GLN A 1 -10.955 14.474 -12.669 1.00 0.76 H new ATOM 0 H3 GLN A 1 -12.233 14.568 -11.555 1.00 0.76 H new ATOM 0 HA GLN A 1 -9.998 15.739 -10.367 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -10.421 14.195 -8.638 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -11.989 14.555 -9.332 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -11.654 12.416 -10.746 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -10.342 12.042 -9.646 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -13.219 13.712 -8.511 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -13.836 12.324 -7.608 1.00 0.88 H new ATOM 20 N LEU A 2 -8.225 13.661 -10.322 1.00 0.39 N ATOM 21 CA LEU A 2 -7.120 12.799 -10.689 1.00 0.36 C ATOM 22 C LEU A 2 -7.024 11.655 -9.696 1.00 0.26 C ATOM 23 O LEU A 2 -7.245 11.842 -8.495 1.00 0.27 O ATOM 24 CB LEU A 2 -5.794 13.587 -10.788 1.00 0.48 C ATOM 25 CG LEU A 2 -5.164 14.080 -9.477 1.00 0.85 C ATOM 26 CD1 LEU A 2 -4.326 12.991 -8.817 1.00 1.45 C ATOM 27 CD2 LEU A 2 -4.311 15.312 -9.734 1.00 1.32 C ATOM 0 H LEU A 2 -8.199 14.011 -9.364 1.00 0.39 H new ATOM 0 HA LEU A 2 -7.306 12.386 -11.680 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -5.064 12.956 -11.296 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -5.964 14.454 -11.426 1.00 0.48 H new ATOM 0 HG LEU A 2 -5.974 14.340 -8.795 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -3.895 13.374 -7.892 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -4.957 12.131 -8.594 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -3.526 12.689 -9.492 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -3.870 15.651 -8.797 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.518 15.065 -10.439 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -4.933 16.105 -10.150 1.00 1.32 H new ATOM 39 N GLN A 3 -6.753 10.466 -10.202 1.00 0.24 N ATOM 40 CA GLN A 3 -6.541 9.318 -9.345 1.00 0.22 C ATOM 41 C GLN A 3 -5.236 8.648 -9.714 1.00 0.22 C ATOM 42 O GLN A 3 -4.961 8.415 -10.891 1.00 0.25 O ATOM 43 CB GLN A 3 -7.661 8.285 -9.480 1.00 0.24 C ATOM 44 CG GLN A 3 -9.070 8.844 -9.468 1.00 0.26 C ATOM 45 CD GLN A 3 -10.111 7.751 -9.299 1.00 0.26 C ATOM 46 OE1 GLN A 3 -9.767 6.530 -9.690 1.00 0.33 O flip ATOM 47 NE2 GLN A 3 -11.205 7.991 -8.796 1.00 0.25 N flip ATOM 0 H GLN A 3 -6.675 10.272 -11.200 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.523 9.680 -8.317 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -7.515 7.736 -10.410 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.568 7.565 -8.667 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -9.167 9.566 -8.658 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -9.255 9.381 -10.398 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -11.436 8.942 -8.507 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -11.883 7.240 -8.667 1.00 0.25 H new ATOM 56 N GLU A 4 -4.439 8.328 -8.719 1.00 0.22 N ATOM 57 CA GLU A 4 -3.238 7.556 -8.955 1.00 0.25 C ATOM 58 C GLU A 4 -3.357 6.246 -8.211 1.00 0.23 C ATOM 59 O GLU A 4 -3.651 6.227 -7.015 1.00 0.27 O ATOM 60 CB GLU A 4 -1.993 8.319 -8.512 1.00 0.30 C ATOM 61 CG GLU A 4 -2.097 9.814 -8.752 1.00 0.28 C ATOM 62 CD GLU A 4 -0.777 10.452 -9.126 1.00 0.51 C ATOM 63 OE1 GLU A 4 0.123 10.520 -8.270 1.00 0.75 O ATOM 64 OE2 GLU A 4 -0.636 10.887 -10.292 1.00 0.88 O ATOM 0 H GLU A 4 -4.598 8.588 -7.746 1.00 0.22 H new ATOM 0 HA GLU A 4 -3.133 7.368 -10.023 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -1.821 8.138 -7.451 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -1.126 7.930 -9.046 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -2.820 9.998 -9.547 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -2.483 10.294 -7.852 1.00 0.28 H new ATOM 71 N LYS A 5 -3.155 5.153 -8.913 1.00 0.24 N ATOM 72 CA LYS A 5 -3.393 3.852 -8.333 1.00 0.25 C ATOM 73 C LYS A 5 -2.081 3.131 -8.171 1.00 0.25 C ATOM 74 O LYS A 5 -1.396 2.837 -9.148 1.00 0.30 O ATOM 75 CB LYS A 5 -4.338 2.995 -9.187 1.00 0.30 C ATOM 76 CG LYS A 5 -5.531 3.739 -9.787 1.00 0.40 C ATOM 77 CD LYS A 5 -5.170 4.584 -11.005 1.00 0.66 C ATOM 78 CE LYS A 5 -6.398 5.251 -11.607 1.00 1.21 C ATOM 79 NZ LYS A 5 -6.054 6.133 -12.754 1.00 1.43 N ATOM 0 H LYS A 5 -2.829 5.139 -9.879 1.00 0.24 H new ATOM 0 HA LYS A 5 -3.871 4.007 -7.366 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -3.763 2.549 -9.999 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -4.713 2.176 -8.574 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -6.296 3.015 -10.070 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -5.969 4.383 -9.024 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -4.445 5.346 -10.718 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -4.692 3.955 -11.756 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -7.100 4.485 -11.938 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -6.904 5.837 -10.840 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -6.915 6.348 -13.297 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -5.638 7.018 -12.399 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -5.368 5.651 -13.369 1.00 1.43 H new ATOM 93 N LEU A 6 -1.736 2.852 -6.939 1.00 0.23 N ATOM 94 CA LEU A 6 -0.514 2.154 -6.636 1.00 0.25 C ATOM 95 C LEU A 6 -0.859 0.723 -6.264 1.00 0.24 C ATOM 96 O LEU A 6 -1.321 0.442 -5.156 1.00 0.24 O ATOM 97 CB LEU A 6 0.213 2.899 -5.519 1.00 0.26 C ATOM 98 CG LEU A 6 0.248 4.419 -5.730 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.832 5.124 -4.523 1.00 0.32 C ATOM 100 CD2 LEU A 6 1.040 4.771 -6.983 1.00 0.30 C ATOM 0 H LEU A 6 -2.292 3.102 -6.121 1.00 0.23 H new ATOM 0 HA LEU A 6 0.158 2.120 -7.494 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.275 2.682 -4.569 1.00 0.26 H new ATOM 0 HB3 LEU A 6 1.234 2.525 -5.446 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.779 4.761 -5.860 1.00 0.27 H new ATOM 0 HD11 LEU A 6 0.845 6.199 -4.701 1.00 0.32 H new ATOM 0 HD12 LEU A 6 0.223 4.908 -3.645 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.850 4.772 -4.353 1.00 0.32 H new ATOM 0 HD21 LEU A 6 1.052 5.853 -7.114 1.00 0.30 H new ATOM 0 HD22 LEU A 6 2.062 4.406 -6.882 1.00 0.30 H new ATOM 0 HD23 LEU A 6 0.573 4.306 -7.851 1.00 0.30 H new ATOM 112 N TYR A 7 -0.710 -0.157 -7.241 1.00 0.27 N ATOM 113 CA TYR A 7 -1.174 -1.532 -7.132 1.00 0.27 C ATOM 114 C TYR A 7 -0.310 -2.387 -6.223 1.00 0.29 C ATOM 115 O TYR A 7 0.917 -2.354 -6.288 1.00 0.38 O ATOM 116 CB TYR A 7 -1.247 -2.181 -8.515 1.00 0.32 C ATOM 117 CG TYR A 7 -2.568 -1.969 -9.213 1.00 0.35 C ATOM 118 CD1 TYR A 7 -2.831 -0.803 -9.920 1.00 0.47 C ATOM 119 CD2 TYR A 7 -3.558 -2.940 -9.154 1.00 0.36 C ATOM 120 CE1 TYR A 7 -4.044 -0.612 -10.551 1.00 0.57 C ATOM 121 CE2 TYR A 7 -4.773 -2.756 -9.779 1.00 0.46 C ATOM 122 CZ TYR A 7 -5.011 -1.592 -10.476 1.00 0.56 C ATOM 123 OH TYR A 7 -6.224 -1.404 -11.091 1.00 0.69 O ATOM 0 H TYR A 7 -0.264 0.061 -8.132 1.00 0.27 H new ATOM 0 HA TYR A 7 -2.166 -1.481 -6.683 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -0.448 -1.780 -9.138 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -1.066 -3.251 -8.415 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -2.075 -0.034 -9.977 1.00 0.47 H new ATOM 0 HD2 TYR A 7 -3.374 -3.854 -8.610 1.00 0.36 H new ATOM 0 HE1 TYR A 7 -4.234 0.299 -11.100 1.00 0.57 H new ATOM 0 HE2 TYR A 7 -5.534 -3.520 -9.722 1.00 0.46 H new ATOM 0 HH TYR A 7 -6.791 -2.189 -10.943 1.00 0.69 H new ATOM 133 N VAL A 8 -0.979 -3.149 -5.375 1.00 0.24 N ATOM 134 CA VAL A 8 -0.345 -4.206 -4.619 1.00 0.26 C ATOM 135 C VAL A 8 -1.117 -5.496 -4.855 1.00 0.26 C ATOM 136 O VAL A 8 -2.238 -5.657 -4.396 1.00 0.26 O ATOM 137 CB VAL A 8 -0.314 -3.889 -3.108 1.00 0.36 C ATOM 138 CG1 VAL A 8 0.751 -2.853 -2.798 1.00 1.12 C ATOM 139 CG2 VAL A 8 -1.677 -3.406 -2.632 1.00 1.27 C ATOM 0 H VAL A 8 -1.978 -3.049 -5.194 1.00 0.24 H new ATOM 0 HA VAL A 8 0.687 -4.305 -4.954 1.00 0.26 H new ATOM 0 HB VAL A 8 -0.067 -4.807 -2.575 1.00 0.36 H new ATOM 0 HG11 VAL A 8 0.755 -2.645 -1.728 1.00 1.12 H new ATOM 0 HG12 VAL A 8 1.727 -3.234 -3.097 1.00 1.12 H new ATOM 0 HG13 VAL A 8 0.536 -1.935 -3.345 1.00 1.12 H new ATOM 0 HG21 VAL A 8 -1.634 -3.188 -1.565 1.00 1.27 H new ATOM 0 HG22 VAL A 8 -1.953 -2.503 -3.176 1.00 1.27 H new ATOM 0 HG23 VAL A 8 -2.422 -4.181 -2.814 1.00 1.27 H new ATOM 149 N PRO A 9 -0.526 -6.452 -5.557 1.00 0.32 N ATOM 150 CA PRO A 9 -1.244 -7.653 -5.943 1.00 0.37 C ATOM 151 C PRO A 9 -1.473 -8.575 -4.753 1.00 0.34 C ATOM 152 O PRO A 9 -0.611 -9.374 -4.384 1.00 0.35 O ATOM 153 CB PRO A 9 -0.340 -8.280 -6.998 1.00 0.44 C ATOM 154 CG PRO A 9 1.032 -7.808 -6.655 1.00 0.43 C ATOM 155 CD PRO A 9 0.866 -6.446 -6.029 1.00 0.39 C ATOM 0 HA PRO A 9 -2.246 -7.451 -6.323 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -0.401 -9.368 -6.975 1.00 0.44 H new ATOM 0 HB3 PRO A 9 -0.627 -7.966 -8.002 1.00 0.44 H new ATOM 0 HG2 PRO A 9 1.519 -8.497 -5.965 1.00 0.43 H new ATOM 0 HG3 PRO A 9 1.658 -7.753 -7.545 1.00 0.43 H new ATOM 0 HD2 PRO A 9 1.567 -6.293 -5.209 1.00 0.39 H new ATOM 0 HD3 PRO A 9 1.041 -5.648 -6.751 1.00 0.39 H new ATOM 163 N VAL A 10 -2.633 -8.426 -4.136 1.00 0.34 N ATOM 164 CA VAL A 10 -2.980 -9.192 -2.952 1.00 0.36 C ATOM 165 C VAL A 10 -3.052 -10.682 -3.276 1.00 0.43 C ATOM 166 O VAL A 10 -2.799 -11.534 -2.429 1.00 0.47 O ATOM 167 CB VAL A 10 -4.317 -8.718 -2.348 1.00 0.42 C ATOM 168 CG1 VAL A 10 -5.487 -9.042 -3.265 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.518 -9.306 -0.960 1.00 0.52 C ATOM 0 H VAL A 10 -3.357 -7.775 -4.440 1.00 0.34 H new ATOM 0 HA VAL A 10 -2.195 -9.028 -2.213 1.00 0.36 H new ATOM 0 HB VAL A 10 -4.276 -7.633 -2.250 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -6.414 -8.694 -2.809 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -5.346 -8.545 -4.225 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -5.541 -10.120 -3.419 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.467 -8.959 -0.552 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.526 -10.394 -1.024 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -3.705 -8.987 -0.308 1.00 0.52 H new ATOM 179 N LYS A 11 -3.385 -10.983 -4.522 1.00 0.49 N ATOM 180 CA LYS A 11 -3.404 -12.354 -4.998 1.00 0.58 C ATOM 181 C LYS A 11 -1.989 -12.914 -5.071 1.00 0.53 C ATOM 182 O LYS A 11 -1.778 -14.125 -4.993 1.00 0.60 O ATOM 183 CB LYS A 11 -4.070 -12.407 -6.364 1.00 0.72 C ATOM 184 CG LYS A 11 -5.566 -12.186 -6.296 1.00 1.27 C ATOM 185 CD LYS A 11 -6.281 -13.428 -5.796 1.00 1.76 C ATOM 186 CE LYS A 11 -7.793 -13.269 -5.820 1.00 2.24 C ATOM 187 NZ LYS A 11 -8.480 -14.514 -5.379 1.00 2.93 N ATOM 0 H LYS A 11 -3.647 -10.291 -5.224 1.00 0.49 H new ATOM 0 HA LYS A 11 -3.973 -12.967 -4.299 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -3.625 -11.650 -7.010 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -3.871 -13.375 -6.823 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -5.783 -11.347 -5.635 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -5.942 -11.919 -7.284 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -5.997 -14.281 -6.412 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -5.957 -13.647 -4.779 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -8.083 -12.443 -5.171 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -8.117 -13.011 -6.828 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -9.510 -14.371 -5.407 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -8.222 -15.296 -6.013 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -8.189 -14.746 -4.408 1.00 2.93 H new ATOM 201 N GLU A 12 -1.025 -12.019 -5.216 1.00 0.45 N ATOM 202 CA GLU A 12 0.378 -12.397 -5.248 1.00 0.44 C ATOM 203 C GLU A 12 0.898 -12.632 -3.839 1.00 0.39 C ATOM 204 O GLU A 12 1.814 -13.424 -3.627 1.00 0.43 O ATOM 205 CB GLU A 12 1.206 -11.318 -5.934 1.00 0.46 C ATOM 206 CG GLU A 12 0.918 -11.193 -7.422 1.00 0.60 C ATOM 207 CD GLU A 12 1.288 -12.433 -8.208 1.00 0.77 C ATOM 208 OE1 GLU A 12 0.474 -13.378 -8.264 1.00 0.96 O ATOM 209 OE2 GLU A 12 2.394 -12.467 -8.786 1.00 0.97 O ATOM 0 H GLU A 12 -1.191 -11.017 -5.314 1.00 0.45 H new ATOM 0 HA GLU A 12 0.469 -13.323 -5.815 1.00 0.44 H new ATOM 0 HB2 GLU A 12 1.012 -10.360 -5.452 1.00 0.46 H new ATOM 0 HB3 GLU A 12 2.264 -11.538 -5.793 1.00 0.46 H new ATOM 0 HG2 GLU A 12 -0.142 -10.984 -7.564 1.00 0.60 H new ATOM 0 HG3 GLU A 12 1.467 -10.340 -7.821 1.00 0.60 H new ATOM 216 N TYR A 13 0.303 -11.939 -2.879 1.00 0.34 N ATOM 217 CA TYR A 13 0.714 -12.057 -1.489 1.00 0.35 C ATOM 218 C TYR A 13 -0.469 -12.441 -0.608 1.00 0.39 C ATOM 219 O TYR A 13 -1.018 -11.602 0.101 1.00 0.40 O ATOM 220 CB TYR A 13 1.318 -10.739 -0.997 1.00 0.34 C ATOM 221 CG TYR A 13 2.410 -10.213 -1.893 1.00 0.35 C ATOM 222 CD1 TYR A 13 2.106 -9.388 -2.963 1.00 0.34 C ATOM 223 CD2 TYR A 13 3.738 -10.555 -1.683 1.00 0.44 C ATOM 224 CE1 TYR A 13 3.088 -8.916 -3.804 1.00 0.40 C ATOM 225 CE2 TYR A 13 4.731 -10.091 -2.523 1.00 0.48 C ATOM 226 CZ TYR A 13 4.402 -9.272 -3.583 1.00 0.46 C ATOM 227 OH TYR A 13 5.389 -8.819 -4.428 1.00 0.53 O ATOM 0 H TYR A 13 -0.467 -11.289 -3.038 1.00 0.34 H new ATOM 0 HA TYR A 13 1.469 -12.841 -1.425 1.00 0.35 H new ATOM 0 HB2 TYR A 13 0.528 -9.991 -0.921 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.719 -10.883 0.006 1.00 0.34 H new ATOM 0 HD1 TYR A 13 1.078 -9.109 -3.141 1.00 0.34 H new ATOM 0 HD2 TYR A 13 3.999 -11.193 -0.851 1.00 0.44 H new ATOM 0 HE1 TYR A 13 2.831 -8.271 -4.631 1.00 0.40 H new ATOM 0 HE2 TYR A 13 5.761 -10.368 -2.351 1.00 0.48 H new ATOM 0 HH TYR A 13 5.131 -7.948 -4.795 1.00 0.53 H new ATOM 237 N PRO A 14 -0.882 -13.716 -0.642 1.00 0.47 N ATOM 238 CA PRO A 14 -2.005 -14.193 0.168 1.00 0.55 C ATOM 239 C PRO A 14 -1.648 -14.211 1.650 1.00 0.59 C ATOM 240 O PRO A 14 -2.519 -14.276 2.522 1.00 0.68 O ATOM 241 CB PRO A 14 -2.249 -15.610 -0.354 1.00 0.64 C ATOM 242 CG PRO A 14 -0.944 -16.035 -0.933 1.00 0.75 C ATOM 243 CD PRO A 14 -0.290 -14.789 -1.460 1.00 0.52 C ATOM 0 HA PRO A 14 -2.884 -13.553 0.087 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -2.562 -16.278 0.448 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -3.038 -15.624 -1.106 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -0.320 -16.511 -0.177 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -1.091 -16.764 -1.730 1.00 0.75 H new ATOM 0 HD2 PRO A 14 0.794 -14.827 -1.349 1.00 0.52 H new ATOM 0 HD3 PRO A 14 -0.497 -14.645 -2.521 1.00 0.52 H new ATOM 251 N ASP A 15 -0.353 -14.144 1.924 1.00 0.57 N ATOM 252 CA ASP A 15 0.147 -14.136 3.288 1.00 0.67 C ATOM 253 C ASP A 15 0.319 -12.710 3.793 1.00 0.62 C ATOM 254 O ASP A 15 0.560 -12.494 4.981 1.00 0.76 O ATOM 255 CB ASP A 15 1.479 -14.888 3.380 1.00 0.78 C ATOM 256 CG ASP A 15 1.314 -16.386 3.235 1.00 1.64 C ATOM 257 OD1 ASP A 15 1.128 -16.865 2.098 1.00 2.43 O ATOM 258 OD2 ASP A 15 1.388 -17.098 4.259 1.00 2.15 O ATOM 0 H ASP A 15 0.375 -14.094 1.211 1.00 0.57 H new ATOM 0 HA ASP A 15 -0.586 -14.642 3.917 1.00 0.67 H new ATOM 0 HB2 ASP A 15 2.152 -14.524 2.604 1.00 0.78 H new ATOM 0 HB3 ASP A 15 1.950 -14.669 4.338 1.00 0.78 H new ATOM 263 N PHE A 16 0.195 -11.739 2.895 1.00 0.48 N ATOM 264 CA PHE A 16 0.310 -10.344 3.286 1.00 0.43 C ATOM 265 C PHE A 16 -0.972 -9.592 2.970 1.00 0.37 C ATOM 266 O PHE A 16 -1.286 -9.304 1.816 1.00 0.36 O ATOM 267 CB PHE A 16 1.499 -9.672 2.614 1.00 0.41 C ATOM 268 CG PHE A 16 1.907 -8.421 3.327 1.00 0.40 C ATOM 269 CD1 PHE A 16 2.689 -8.489 4.466 1.00 0.52 C ATOM 270 CD2 PHE A 16 1.497 -7.182 2.876 1.00 0.34 C ATOM 271 CE1 PHE A 16 3.053 -7.343 5.140 1.00 0.56 C ATOM 272 CE2 PHE A 16 1.861 -6.033 3.541 1.00 0.36 C ATOM 273 CZ PHE A 16 2.640 -6.113 4.676 1.00 0.49 C ATOM 0 H PHE A 16 0.017 -11.892 1.902 1.00 0.48 H new ATOM 0 HA PHE A 16 0.476 -10.316 4.363 1.00 0.43 H new ATOM 0 HB2 PHE A 16 2.340 -10.365 2.586 1.00 0.41 H new ATOM 0 HB3 PHE A 16 1.246 -9.435 1.580 1.00 0.41 H new ATOM 0 HD1 PHE A 16 3.018 -9.451 4.831 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.883 -7.114 1.990 1.00 0.34 H new ATOM 0 HE1 PHE A 16 3.661 -7.409 6.030 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.537 -5.070 3.174 1.00 0.36 H new ATOM 0 HZ PHE A 16 2.926 -5.213 5.200 1.00 0.49 H new ATOM 283 N ASN A 17 -1.699 -9.269 4.017 1.00 0.37 N ATOM 284 CA ASN A 17 -2.943 -8.531 3.904 1.00 0.35 C ATOM 285 C ASN A 17 -2.680 -7.038 3.769 1.00 0.30 C ATOM 286 O ASN A 17 -2.525 -6.346 4.768 1.00 0.30 O ATOM 287 CB ASN A 17 -3.814 -8.786 5.136 1.00 0.45 C ATOM 288 CG ASN A 17 -2.994 -8.975 6.406 1.00 0.74 C ATOM 289 OD1 ASN A 17 -2.740 -10.101 6.828 1.00 1.29 O ATOM 290 ND2 ASN A 17 -2.524 -7.885 6.993 1.00 0.71 N ATOM 0 H ASN A 17 -1.445 -9.510 4.975 1.00 0.37 H new ATOM 0 HA ASN A 17 -3.462 -8.875 3.010 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -4.499 -7.949 5.272 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -4.425 -9.673 4.967 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -1.933 -7.966 7.820 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -2.753 -6.965 6.618 1.00 0.71 H new ATOM 297 N PHE A 18 -2.619 -6.535 2.541 1.00 0.28 N ATOM 298 CA PHE A 18 -2.375 -5.112 2.325 1.00 0.26 C ATOM 299 C PHE A 18 -3.446 -4.244 2.980 1.00 0.27 C ATOM 300 O PHE A 18 -3.139 -3.180 3.499 1.00 0.27 O ATOM 301 CB PHE A 18 -2.254 -4.794 0.838 1.00 0.24 C ATOM 302 CG PHE A 18 -1.066 -5.458 0.214 1.00 0.23 C ATOM 303 CD1 PHE A 18 0.197 -5.103 0.630 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.202 -6.439 -0.764 1.00 0.23 C ATOM 305 CE1 PHE A 18 1.310 -5.701 0.098 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.080 -7.044 -1.311 1.00 0.25 C ATOM 307 CZ PHE A 18 1.179 -6.671 -0.873 1.00 0.25 C ATOM 0 H PHE A 18 -2.734 -7.083 1.688 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.425 -4.874 2.804 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -3.160 -5.116 0.324 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -2.178 -3.715 0.704 1.00 0.24 H new ATOM 0 HD1 PHE A 18 0.313 -4.342 1.387 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.186 -6.731 -1.099 1.00 0.23 H new ATOM 0 HE1 PHE A 18 2.292 -5.411 0.441 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -0.188 -7.801 -2.074 1.00 0.25 H new ATOM 0 HZ PHE A 18 2.058 -7.139 -1.291 1.00 0.25 H new ATOM 317 N VAL A 19 -4.693 -4.692 2.978 1.00 0.31 N ATOM 318 CA VAL A 19 -5.744 -3.972 3.677 1.00 0.32 C ATOM 319 C VAL A 19 -5.531 -4.021 5.184 1.00 0.29 C ATOM 320 O VAL A 19 -5.503 -2.983 5.839 1.00 0.27 O ATOM 321 CB VAL A 19 -7.141 -4.507 3.321 1.00 0.41 C ATOM 322 CG1 VAL A 19 -7.623 -3.885 2.024 1.00 1.34 C ATOM 323 CG2 VAL A 19 -7.136 -6.024 3.214 1.00 1.13 C ATOM 0 H VAL A 19 -4.999 -5.542 2.505 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.690 -2.934 3.349 1.00 0.32 H new ATOM 0 HB VAL A 19 -7.827 -4.230 4.122 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -8.613 -4.271 1.781 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -7.673 -2.802 2.136 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -6.930 -4.135 1.221 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -8.137 -6.374 2.961 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -6.437 -6.332 2.436 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -6.831 -6.455 4.168 1.00 1.13 H new ATOM 333 N GLY A 20 -5.328 -5.218 5.728 1.00 0.33 N ATOM 334 CA GLY A 20 -5.037 -5.350 7.148 1.00 0.35 C ATOM 335 C GLY A 20 -3.748 -4.648 7.528 1.00 0.32 C ATOM 336 O GLY A 20 -3.474 -4.411 8.700 1.00 0.38 O ATOM 0 H GLY A 20 -5.359 -6.098 5.213 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -5.861 -4.935 7.728 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -4.965 -6.406 7.407 1.00 0.35 H new ATOM 340 N ARG A 21 -2.956 -4.321 6.519 1.00 0.29 N ATOM 341 CA ARG A 21 -1.705 -3.615 6.706 1.00 0.32 C ATOM 342 C ARG A 21 -1.911 -2.102 6.626 1.00 0.31 C ATOM 343 O ARG A 21 -1.317 -1.344 7.394 1.00 0.39 O ATOM 344 CB ARG A 21 -0.693 -4.086 5.643 1.00 0.33 C ATOM 345 CG ARG A 21 0.299 -3.022 5.183 1.00 0.56 C ATOM 346 CD ARG A 21 1.562 -3.014 6.028 1.00 0.52 C ATOM 347 NE ARG A 21 1.276 -2.880 7.459 1.00 1.51 N ATOM 348 CZ ARG A 21 1.864 -3.607 8.411 1.00 2.26 C ATOM 349 NH1 ARG A 21 2.803 -4.491 8.097 1.00 2.34 N ATOM 350 NH2 ARG A 21 1.515 -3.447 9.679 1.00 3.20 N ATOM 0 H ARG A 21 -3.166 -4.540 5.545 1.00 0.29 H new ATOM 0 HA ARG A 21 -1.315 -3.839 7.699 1.00 0.32 H new ATOM 0 HB2 ARG A 21 -0.135 -4.933 6.043 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -1.243 -4.449 4.775 1.00 0.33 H new ATOM 0 HG2 ARG A 21 0.562 -3.199 4.140 1.00 0.56 H new ATOM 0 HG3 ARG A 21 -0.174 -2.041 5.230 1.00 0.56 H new ATOM 0 HD2 ARG A 21 2.117 -3.936 5.856 1.00 0.52 H new ATOM 0 HD3 ARG A 21 2.203 -2.192 5.710 1.00 0.52 H new ATOM 0 HE ARG A 21 0.584 -2.188 7.745 1.00 1.51 H new ATOM 0 HH11 ARG A 21 3.079 -4.618 7.123 1.00 2.34 H new ATOM 0 HH12 ARG A 21 3.249 -5.044 8.829 1.00 2.34 H new ATOM 0 HH21 ARG A 21 0.796 -2.768 9.928 1.00 3.20 H new ATOM 0 HH22 ARG A 21 1.965 -4.003 10.406 1.00 3.20 H new ATOM 364 N ILE A 22 -2.750 -1.675 5.694 1.00 0.27 N ATOM 365 CA ILE A 22 -2.945 -0.259 5.429 1.00 0.31 C ATOM 366 C ILE A 22 -4.059 0.335 6.285 1.00 0.28 C ATOM 367 O ILE A 22 -3.850 1.307 7.009 1.00 0.32 O ATOM 368 CB ILE A 22 -3.280 -0.041 3.934 1.00 0.40 C ATOM 369 CG1 ILE A 22 -2.046 -0.281 3.056 1.00 0.51 C ATOM 370 CG2 ILE A 22 -3.862 1.342 3.688 1.00 0.52 C ATOM 371 CD1 ILE A 22 -0.860 0.597 3.400 1.00 0.99 C ATOM 0 H ILE A 22 -3.309 -2.293 5.106 1.00 0.27 H new ATOM 0 HA ILE A 22 -2.015 0.249 5.684 1.00 0.31 H new ATOM 0 HB ILE A 22 -4.041 -0.771 3.658 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -1.748 -1.326 3.145 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -2.317 -0.114 2.014 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -4.085 1.460 2.628 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -4.778 1.459 4.267 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -3.140 2.100 3.993 1.00 0.52 H new ATOM 0 HD11 ILE A 22 -0.030 0.365 2.733 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -1.137 1.645 3.283 1.00 0.99 H new ATOM 0 HD13 ILE A 22 -0.559 0.414 4.432 1.00 0.99 H new ATOM 383 N LEU A 23 -5.235 -0.267 6.217 1.00 0.30 N ATOM 384 CA LEU A 23 -6.406 0.280 6.882 1.00 0.35 C ATOM 385 C LEU A 23 -6.729 -0.465 8.174 1.00 0.37 C ATOM 386 O LEU A 23 -7.408 0.075 9.049 1.00 0.47 O ATOM 387 CB LEU A 23 -7.600 0.280 5.917 1.00 0.59 C ATOM 388 CG LEU A 23 -7.788 -1.003 5.099 1.00 0.68 C ATOM 389 CD1 LEU A 23 -8.423 -2.098 5.938 1.00 1.69 C ATOM 390 CD2 LEU A 23 -8.612 -0.730 3.855 1.00 1.15 C ATOM 0 H LEU A 23 -5.404 -1.135 5.708 1.00 0.30 H new ATOM 0 HA LEU A 23 -6.187 1.309 7.167 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -8.509 0.460 6.491 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -7.487 1.117 5.227 1.00 0.59 H new ATOM 0 HG LEU A 23 -6.803 -1.350 4.787 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -8.544 -2.996 5.332 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -7.783 -2.320 6.792 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -9.398 -1.765 6.293 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -8.733 -1.654 3.289 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -9.592 -0.350 4.144 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -8.104 0.010 3.237 1.00 1.15 H new ATOM 402 N GLY A 24 -6.217 -1.691 8.279 1.00 0.35 N ATOM 403 CA GLY A 24 -6.561 -2.587 9.375 1.00 0.45 C ATOM 404 C GLY A 24 -6.528 -1.935 10.747 1.00 0.56 C ATOM 405 O GLY A 24 -7.572 -1.555 11.283 1.00 0.70 O ATOM 0 H GLY A 24 -5.557 -2.086 7.610 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -7.559 -2.990 9.201 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -5.871 -3.431 9.370 1.00 0.45 H new ATOM 409 N PRO A 25 -5.350 -1.826 11.368 1.00 0.59 N ATOM 410 CA PRO A 25 -5.207 -1.171 12.658 1.00 0.74 C ATOM 411 C PRO A 25 -4.905 0.323 12.531 1.00 0.75 C ATOM 412 O PRO A 25 -5.204 1.107 13.431 1.00 0.90 O ATOM 413 CB PRO A 25 -4.024 -1.914 13.271 1.00 0.85 C ATOM 414 CG PRO A 25 -3.174 -2.325 12.110 1.00 0.77 C ATOM 415 CD PRO A 25 -4.069 -2.378 10.893 1.00 0.57 C ATOM 0 HA PRO A 25 -6.120 -1.212 13.252 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -3.470 -1.274 13.957 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -4.357 -2.781 13.842 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -2.361 -1.615 11.958 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -2.717 -3.298 12.294 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -3.661 -1.789 10.071 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -4.185 -3.398 10.527 1.00 0.57 H new ATOM 423 N ARG A 26 -4.325 0.713 11.402 1.00 0.64 N ATOM 424 CA ARG A 26 -3.859 2.079 11.220 1.00 0.71 C ATOM 425 C ARG A 26 -4.561 2.774 10.055 1.00 0.59 C ATOM 426 O ARG A 26 -3.974 3.633 9.398 1.00 0.63 O ATOM 427 CB ARG A 26 -2.339 2.095 11.018 1.00 0.88 C ATOM 428 CG ARG A 26 -1.850 1.228 9.871 1.00 1.34 C ATOM 429 CD ARG A 26 -0.331 1.168 9.839 1.00 1.33 C ATOM 430 NE ARG A 26 0.218 0.564 11.058 1.00 1.92 N ATOM 431 CZ ARG A 26 1.517 0.502 11.352 1.00 2.49 C ATOM 432 NH1 ARG A 26 2.418 1.047 10.542 1.00 2.67 N ATOM 433 NH2 ARG A 26 1.916 -0.091 12.472 1.00 3.43 N ATOM 0 H ARG A 26 -4.167 0.102 10.601 1.00 0.64 H new ATOM 0 HA ARG A 26 -4.107 2.635 12.124 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -2.019 3.122 10.843 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -1.859 1.763 11.939 1.00 0.88 H new ATOM 0 HG2 ARG A 26 -2.255 0.221 9.974 1.00 1.34 H new ATOM 0 HG3 ARG A 26 -2.221 1.626 8.927 1.00 1.34 H new ATOM 0 HD2 ARG A 26 -0.009 0.592 8.971 1.00 1.33 H new ATOM 0 HD3 ARG A 26 0.070 2.175 9.720 1.00 1.33 H new ATOM 0 HE ARG A 26 -0.440 0.164 11.727 1.00 1.92 H new ATOM 0 HH11 ARG A 26 2.118 1.517 9.688 1.00 2.67 H new ATOM 0 HH12 ARG A 26 3.410 0.995 10.774 1.00 2.67 H new ATOM 0 HH21 ARG A 26 1.229 -0.498 13.106 1.00 3.43 H new ATOM 0 HH22 ARG A 26 2.910 -0.139 12.698 1.00 3.43 H new ATOM 447 N GLY A 27 -5.832 2.431 9.827 1.00 0.54 N ATOM 448 CA GLY A 27 -6.629 3.116 8.811 1.00 0.56 C ATOM 449 C GLY A 27 -6.696 4.618 9.036 1.00 0.58 C ATOM 450 O GLY A 27 -7.072 5.383 8.138 1.00 0.56 O ATOM 0 H GLY A 27 -6.325 1.691 10.327 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -6.204 2.918 7.827 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -7.639 2.707 8.810 1.00 0.56 H new ATOM 454 N LEU A 28 -6.320 5.035 10.242 1.00 0.64 N ATOM 455 CA LEU A 28 -6.217 6.443 10.588 1.00 0.68 C ATOM 456 C LEU A 28 -5.327 7.173 9.591 1.00 0.58 C ATOM 457 O LEU A 28 -5.557 8.343 9.296 1.00 0.55 O ATOM 458 CB LEU A 28 -5.647 6.623 12.004 1.00 0.82 C ATOM 459 CG LEU A 28 -6.590 6.285 13.165 1.00 1.46 C ATOM 460 CD1 LEU A 28 -7.898 7.048 13.031 1.00 1.96 C ATOM 461 CD2 LEU A 28 -6.850 4.787 13.257 1.00 2.25 C ATOM 0 H LEU A 28 -6.079 4.403 11.005 1.00 0.64 H new ATOM 0 HA LEU A 28 -7.221 6.866 10.556 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -4.756 6.002 12.095 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -5.326 7.659 12.114 1.00 0.82 H new ATOM 0 HG LEU A 28 -6.100 6.592 14.089 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -8.554 6.795 13.864 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -7.697 8.119 13.040 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -8.382 6.778 12.093 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -7.522 4.585 14.091 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -7.307 4.439 12.330 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -5.907 4.263 13.416 1.00 2.25 H new ATOM 473 N THR A 29 -4.325 6.471 9.059 1.00 0.56 N ATOM 474 CA THR A 29 -3.398 7.073 8.114 1.00 0.52 C ATOM 475 C THR A 29 -4.142 7.560 6.869 1.00 0.42 C ATOM 476 O THR A 29 -3.929 8.681 6.422 1.00 0.41 O ATOM 477 CB THR A 29 -2.244 6.105 7.730 1.00 0.58 C ATOM 478 OG1 THR A 29 -1.209 6.815 7.046 1.00 0.92 O ATOM 479 CG2 THR A 29 -2.722 4.957 6.849 1.00 0.48 C ATOM 0 H THR A 29 -4.140 5.490 9.268 1.00 0.56 H new ATOM 0 HA THR A 29 -2.942 7.932 8.606 1.00 0.52 H new ATOM 0 HB THR A 29 -1.863 5.684 8.660 1.00 0.58 H new ATOM 0 HG1 THR A 29 -0.487 6.195 6.811 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.880 4.309 6.608 1.00 0.48 H new ATOM 0 HG22 THR A 29 -3.482 4.383 7.380 1.00 0.48 H new ATOM 0 HG23 THR A 29 -3.147 5.357 5.929 1.00 0.48 H new ATOM 487 N ALA A 30 -5.072 6.751 6.368 1.00 0.39 N ATOM 488 CA ALA A 30 -5.840 7.116 5.185 1.00 0.34 C ATOM 489 C ALA A 30 -6.684 8.345 5.475 1.00 0.32 C ATOM 490 O ALA A 30 -6.798 9.254 4.650 1.00 0.28 O ATOM 491 CB ALA A 30 -6.715 5.952 4.739 1.00 0.38 C ATOM 0 H ALA A 30 -5.310 5.841 6.763 1.00 0.39 H new ATOM 0 HA ALA A 30 -5.151 7.351 4.374 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -7.282 6.241 3.854 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -6.086 5.094 4.502 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -7.404 5.687 5.541 1.00 0.38 H new ATOM 497 N LYS A 31 -7.243 8.375 6.676 1.00 0.38 N ATOM 498 CA LYS A 31 -8.039 9.503 7.126 1.00 0.41 C ATOM 499 C LYS A 31 -7.187 10.757 7.242 1.00 0.38 C ATOM 500 O LYS A 31 -7.627 11.856 6.906 1.00 0.39 O ATOM 501 CB LYS A 31 -8.649 9.190 8.482 1.00 0.49 C ATOM 502 CG LYS A 31 -9.672 8.068 8.451 1.00 1.16 C ATOM 503 CD LYS A 31 -10.254 7.816 9.829 1.00 1.63 C ATOM 504 CE LYS A 31 -11.402 6.818 9.782 1.00 2.36 C ATOM 505 NZ LYS A 31 -10.976 5.483 9.284 1.00 3.09 N ATOM 0 H LYS A 31 -7.158 7.623 7.360 1.00 0.38 H new ATOM 0 HA LYS A 31 -8.826 9.679 6.393 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -7.852 8.923 9.175 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -9.123 10.090 8.873 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -10.473 8.322 7.756 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -9.204 7.156 8.079 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -9.473 7.441 10.491 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -10.607 8.756 10.253 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -11.827 6.711 10.780 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -12.191 7.207 9.139 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -11.777 4.822 9.335 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -10.658 5.566 8.297 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -10.195 5.127 9.871 1.00 3.09 H new ATOM 519 N GLN A 32 -5.967 10.590 7.729 1.00 0.38 N ATOM 520 CA GLN A 32 -5.077 11.722 7.919 1.00 0.40 C ATOM 521 C GLN A 32 -4.672 12.311 6.585 1.00 0.32 C ATOM 522 O GLN A 32 -4.547 13.517 6.457 1.00 0.33 O ATOM 523 CB GLN A 32 -3.831 11.335 8.723 1.00 0.47 C ATOM 524 CG GLN A 32 -4.135 10.866 10.136 1.00 0.55 C ATOM 525 CD GLN A 32 -5.053 11.815 10.879 1.00 0.63 C ATOM 526 OE1 GLN A 32 -4.602 12.744 11.551 1.00 0.72 O ATOM 527 NE2 GLN A 32 -6.349 11.590 10.754 1.00 0.64 N ATOM 0 H GLN A 32 -5.574 9.688 7.998 1.00 0.38 H new ATOM 0 HA GLN A 32 -5.624 12.473 8.489 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -3.300 10.544 8.194 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -3.160 12.193 8.771 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -4.594 9.878 10.096 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -3.202 10.761 10.689 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -6.679 10.809 10.187 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -7.020 12.198 11.224 1.00 0.64 H new ATOM 536 N LEU A 33 -4.499 11.462 5.583 1.00 0.28 N ATOM 537 CA LEU A 33 -4.068 11.926 4.272 1.00 0.25 C ATOM 538 C LEU A 33 -5.144 12.781 3.636 1.00 0.21 C ATOM 539 O LEU A 33 -4.848 13.832 3.095 1.00 0.22 O ATOM 540 CB LEU A 33 -3.709 10.754 3.348 1.00 0.28 C ATOM 541 CG LEU A 33 -2.842 9.650 3.968 1.00 0.72 C ATOM 542 CD1 LEU A 33 -2.193 8.802 2.887 1.00 1.20 C ATOM 543 CD2 LEU A 33 -1.790 10.229 4.904 1.00 1.61 C ATOM 0 H LEU A 33 -4.649 10.455 5.651 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.170 12.528 4.413 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -4.634 10.303 2.989 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -3.189 11.151 2.476 1.00 0.28 H new ATOM 0 HG LEU A 33 -3.496 9.010 4.560 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -1.583 8.026 3.350 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -2.967 8.338 2.275 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -1.563 9.432 2.260 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -1.194 9.420 5.326 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -1.142 10.906 4.348 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -2.281 10.776 5.709 1.00 1.61 H new ATOM 555 N GLU A 34 -6.395 12.368 3.729 1.00 0.21 N ATOM 556 CA GLU A 34 -7.467 13.151 3.127 1.00 0.25 C ATOM 557 C GLU A 34 -7.672 14.449 3.894 1.00 0.29 C ATOM 558 O GLU A 34 -7.892 15.502 3.302 1.00 0.33 O ATOM 559 CB GLU A 34 -8.770 12.354 3.040 1.00 0.31 C ATOM 560 CG GLU A 34 -9.165 11.667 4.332 1.00 0.38 C ATOM 561 CD GLU A 34 -10.490 10.946 4.229 1.00 0.54 C ATOM 562 OE1 GLU A 34 -11.533 11.579 4.500 1.00 0.87 O ATOM 563 OE2 GLU A 34 -10.500 9.749 3.878 1.00 0.63 O ATOM 0 H GLU A 34 -6.693 11.516 4.203 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.169 13.394 2.107 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.574 13.025 2.738 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -8.671 11.602 2.257 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -8.389 10.954 4.611 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -9.220 12.407 5.130 1.00 0.38 H new ATOM 570 N ALA A 35 -7.578 14.364 5.212 1.00 0.30 N ATOM 571 CA ALA A 35 -7.694 15.536 6.065 1.00 0.36 C ATOM 572 C ALA A 35 -6.523 16.501 5.860 1.00 0.35 C ATOM 573 O ALA A 35 -6.699 17.720 5.843 1.00 0.42 O ATOM 574 CB ALA A 35 -7.780 15.116 7.526 1.00 0.40 C ATOM 0 H ALA A 35 -7.421 13.491 5.716 1.00 0.30 H new ATOM 0 HA ALA A 35 -8.609 16.060 5.788 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -7.867 16.002 8.155 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -8.654 14.481 7.671 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -6.881 14.564 7.799 1.00 0.40 H new ATOM 580 N GLU A 36 -5.330 15.941 5.710 1.00 0.30 N ATOM 581 CA GLU A 36 -4.107 16.725 5.582 1.00 0.34 C ATOM 582 C GLU A 36 -3.878 17.217 4.161 1.00 0.31 C ATOM 583 O GLU A 36 -3.590 18.393 3.943 1.00 0.41 O ATOM 584 CB GLU A 36 -2.909 15.881 6.011 1.00 0.38 C ATOM 585 CG GLU A 36 -2.322 16.277 7.349 1.00 0.74 C ATOM 586 CD GLU A 36 -1.628 17.619 7.290 1.00 1.25 C ATOM 587 OE1 GLU A 36 -0.503 17.691 6.746 1.00 1.69 O ATOM 588 OE2 GLU A 36 -2.199 18.609 7.780 1.00 1.73 O ATOM 0 H GLU A 36 -5.182 14.932 5.674 1.00 0.30 H new ATOM 0 HA GLU A 36 -4.217 17.598 6.226 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.212 14.835 6.054 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -2.133 15.957 5.249 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -3.115 16.312 8.096 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -1.612 15.516 7.673 1.00 0.74 H new ATOM 595 N THR A 37 -3.972 16.317 3.200 1.00 0.24 N ATOM 596 CA THR A 37 -3.571 16.631 1.842 1.00 0.26 C ATOM 597 C THR A 37 -4.737 17.175 1.019 1.00 0.28 C ATOM 598 O THR A 37 -4.541 17.939 0.071 1.00 0.35 O ATOM 599 CB THR A 37 -2.973 15.399 1.129 1.00 0.28 C ATOM 600 OG1 THR A 37 -4.004 14.461 0.800 1.00 0.25 O ATOM 601 CG2 THR A 37 -1.934 14.716 2.014 1.00 0.29 C ATOM 0 H THR A 37 -4.321 15.368 3.333 1.00 0.24 H new ATOM 0 HA THR A 37 -2.805 17.403 1.917 1.00 0.26 H new ATOM 0 HB THR A 37 -2.492 15.742 0.213 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.656 14.421 1.531 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.525 13.850 1.493 1.00 0.29 H new ATOM 0 HG22 THR A 37 -1.130 15.417 2.239 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.404 14.392 2.943 1.00 0.29 H new ATOM 609 N GLY A 38 -5.953 16.790 1.398 1.00 0.28 N ATOM 610 CA GLY A 38 -7.119 17.101 0.593 1.00 0.35 C ATOM 611 C GLY A 38 -7.394 16.006 -0.406 1.00 0.35 C ATOM 612 O GLY A 38 -8.381 16.043 -1.139 1.00 0.44 O ATOM 0 H GLY A 38 -6.150 16.267 2.251 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -7.986 17.235 1.239 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -6.963 18.044 0.070 1.00 0.35 H new ATOM 616 N CYS A 39 -6.510 15.026 -0.433 1.00 0.29 N ATOM 617 CA CYS A 39 -6.688 13.866 -1.273 1.00 0.26 C ATOM 618 C CYS A 39 -7.301 12.744 -0.482 1.00 0.35 C ATOM 619 O CYS A 39 -6.717 12.273 0.492 1.00 0.73 O ATOM 620 CB CYS A 39 -5.354 13.404 -1.842 1.00 0.37 C ATOM 621 SG CYS A 39 -5.474 11.920 -2.857 1.00 1.29 S ATOM 0 H CYS A 39 -5.656 15.015 0.124 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.350 14.141 -2.094 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -4.926 14.209 -2.440 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -4.664 13.216 -1.020 1.00 0.37 H new ATOM 0 HG CYS A 39 -6.082 10.985 -2.189 1.00 1.29 H new ATOM 627 N LYS A 40 -8.466 12.295 -0.901 1.00 0.28 N ATOM 628 CA LYS A 40 -9.063 11.163 -0.261 1.00 0.27 C ATOM 629 C LYS A 40 -8.448 9.914 -0.854 1.00 0.24 C ATOM 630 O LYS A 40 -8.865 9.433 -1.903 1.00 0.26 O ATOM 631 CB LYS A 40 -10.594 11.170 -0.407 1.00 0.35 C ATOM 632 CG LYS A 40 -11.097 11.288 -1.839 1.00 1.07 C ATOM 633 CD LYS A 40 -12.546 10.837 -1.966 1.00 1.36 C ATOM 634 CE LYS A 40 -12.681 9.321 -1.849 1.00 1.62 C ATOM 635 NZ LYS A 40 -11.999 8.611 -2.967 1.00 2.51 N ATOM 0 H LYS A 40 -9.004 12.695 -1.670 1.00 0.28 H new ATOM 0 HA LYS A 40 -8.866 11.197 0.810 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -10.991 10.253 0.028 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -10.997 11.999 0.174 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -11.007 12.322 -2.172 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -10.469 10.686 -2.496 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -13.145 11.316 -1.191 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -12.946 11.164 -2.926 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -12.259 8.992 -0.900 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -13.737 9.051 -1.839 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -12.268 7.606 -2.956 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -12.283 9.036 -3.873 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -10.969 8.695 -2.854 1.00 2.51 H new ATOM 649 N ILE A 41 -7.423 9.408 -0.200 1.00 0.22 N ATOM 650 CA ILE A 41 -6.767 8.218 -0.679 1.00 0.21 C ATOM 651 C ILE A 41 -7.609 7.013 -0.322 1.00 0.23 C ATOM 652 O ILE A 41 -7.801 6.673 0.844 1.00 0.29 O ATOM 653 CB ILE A 41 -5.339 8.080 -0.114 1.00 0.21 C ATOM 654 CG1 ILE A 41 -4.747 6.706 -0.441 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.326 8.330 1.390 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.341 6.518 0.083 1.00 0.25 C ATOM 0 H ILE A 41 -7.032 9.801 0.656 1.00 0.22 H new ATOM 0 HA ILE A 41 -6.668 8.288 -1.762 1.00 0.21 H new ATOM 0 HB ILE A 41 -4.715 8.836 -0.591 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.390 5.932 -0.021 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -4.746 6.567 -1.522 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.308 8.227 1.767 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -5.689 9.337 1.595 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -5.971 7.604 1.885 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -2.983 5.524 -0.184 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -2.685 7.270 -0.357 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.340 6.625 1.168 1.00 0.25 H new ATOM 668 N MET A 42 -8.132 6.397 -1.352 1.00 0.20 N ATOM 669 CA MET A 42 -9.079 5.337 -1.203 1.00 0.21 C ATOM 670 C MET A 42 -8.396 4.028 -1.484 1.00 0.20 C ATOM 671 O MET A 42 -7.687 3.879 -2.482 1.00 0.21 O ATOM 672 CB MET A 42 -10.256 5.549 -2.165 1.00 0.26 C ATOM 673 CG MET A 42 -9.862 5.616 -3.642 1.00 0.29 C ATOM 674 SD MET A 42 -11.247 6.060 -4.712 1.00 0.45 S ATOM 675 CE MET A 42 -12.518 4.936 -4.138 1.00 1.43 C ATOM 0 H MET A 42 -7.907 6.623 -2.321 1.00 0.20 H new ATOM 0 HA MET A 42 -9.467 5.327 -0.185 1.00 0.21 H new ATOM 0 HB2 MET A 42 -10.971 4.738 -2.029 1.00 0.26 H new ATOM 0 HB3 MET A 42 -10.767 6.473 -1.896 1.00 0.26 H new ATOM 0 HG2 MET A 42 -9.062 6.346 -3.768 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.464 4.650 -3.952 1.00 0.29 H new ATOM 0 HE1 MET A 42 -13.231 4.751 -4.942 1.00 1.43 H new ATOM 0 HE2 MET A 42 -12.061 3.994 -3.835 1.00 1.43 H new ATOM 0 HE3 MET A 42 -13.037 5.378 -3.287 1.00 1.43 H new ATOM 685 N VAL A 43 -8.592 3.085 -0.610 1.00 0.22 N ATOM 686 CA VAL A 43 -8.059 1.778 -0.829 1.00 0.25 C ATOM 687 C VAL A 43 -9.014 1.036 -1.738 1.00 0.27 C ATOM 688 O VAL A 43 -10.203 0.922 -1.451 1.00 0.41 O ATOM 689 CB VAL A 43 -7.848 1.003 0.483 1.00 0.32 C ATOM 690 CG1 VAL A 43 -6.843 -0.105 0.257 1.00 0.51 C ATOM 691 CG2 VAL A 43 -7.384 1.928 1.601 1.00 0.79 C ATOM 0 H VAL A 43 -9.116 3.198 0.258 1.00 0.22 H new ATOM 0 HA VAL A 43 -7.075 1.868 -1.289 1.00 0.25 H new ATOM 0 HB VAL A 43 -8.800 0.570 0.790 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -6.693 -0.655 1.186 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -7.216 -0.784 -0.510 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -5.895 0.324 -0.068 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -7.243 1.352 2.515 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -6.441 2.396 1.318 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -8.135 2.699 1.770 1.00 0.79 H new ATOM 701 N ARG A 44 -8.510 0.595 -2.865 1.00 0.29 N ATOM 702 CA ARG A 44 -9.334 -0.075 -3.841 1.00 0.31 C ATOM 703 C ARG A 44 -8.965 -1.537 -3.904 1.00 0.38 C ATOM 704 O ARG A 44 -8.057 -1.983 -3.210 1.00 0.71 O ATOM 705 CB ARG A 44 -9.203 0.560 -5.227 1.00 0.33 C ATOM 706 CG ARG A 44 -9.814 1.949 -5.348 1.00 0.37 C ATOM 707 CD ARG A 44 -10.209 2.243 -6.784 1.00 0.50 C ATOM 708 NE ARG A 44 -11.071 3.413 -6.888 1.00 0.56 N ATOM 709 CZ ARG A 44 -11.760 3.729 -7.986 1.00 0.72 C ATOM 710 NH1 ARG A 44 -11.784 2.898 -9.026 1.00 1.26 N ATOM 711 NH2 ARG A 44 -12.457 4.856 -8.030 1.00 1.10 N ATOM 0 H ARG A 44 -7.529 0.689 -3.129 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.373 0.028 -3.529 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.146 0.618 -5.487 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -9.675 -0.095 -5.959 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -10.690 2.023 -4.703 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -9.100 2.696 -5.003 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -9.311 2.401 -7.381 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -10.722 1.377 -7.203 1.00 0.50 H new ATOM 0 HE ARG A 44 -11.152 4.025 -6.076 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -11.274 2.015 -8.985 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -12.312 3.144 -9.863 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -12.466 5.482 -7.224 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -12.984 5.097 -8.869 1.00 1.10 H new ATOM 725 N GLY A 45 -9.655 -2.275 -4.745 1.00 0.26 N ATOM 726 CA GLY A 45 -9.449 -3.694 -4.789 1.00 0.29 C ATOM 727 C GLY A 45 -10.374 -4.411 -3.844 1.00 0.29 C ATOM 728 O GLY A 45 -11.298 -3.809 -3.281 1.00 0.33 O ATOM 0 H GLY A 45 -10.353 -1.917 -5.397 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -9.611 -4.056 -5.804 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.415 -3.921 -4.531 1.00 0.29 H new ATOM 732 N LYS A 46 -10.121 -5.684 -3.654 1.00 0.39 N ATOM 733 CA LYS A 46 -10.995 -6.518 -2.860 1.00 0.50 C ATOM 734 C LYS A 46 -10.627 -6.442 -1.379 1.00 0.50 C ATOM 735 O LYS A 46 -9.517 -6.799 -0.985 1.00 0.62 O ATOM 736 CB LYS A 46 -10.946 -7.963 -3.375 1.00 0.74 C ATOM 737 CG LYS A 46 -9.574 -8.619 -3.277 1.00 0.90 C ATOM 738 CD LYS A 46 -9.304 -9.525 -4.469 1.00 0.94 C ATOM 739 CE LYS A 46 -9.064 -8.718 -5.736 1.00 0.72 C ATOM 740 NZ LYS A 46 -9.157 -9.551 -6.965 1.00 1.45 N ATOM 0 H LYS A 46 -9.311 -6.169 -4.041 1.00 0.39 H new ATOM 0 HA LYS A 46 -12.017 -6.151 -2.958 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -11.663 -8.561 -2.812 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -11.268 -7.976 -4.416 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -8.804 -7.849 -3.222 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -9.511 -9.199 -2.356 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -8.435 -10.150 -4.264 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -10.151 -10.195 -4.618 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -9.793 -7.910 -5.792 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -8.078 -8.255 -5.688 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -8.986 -8.957 -7.801 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -8.444 -10.307 -6.926 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -10.106 -9.972 -7.028 1.00 1.45 H new ATOM 754 N GLY A 47 -11.543 -5.931 -0.566 1.00 0.57 N ATOM 755 CA GLY A 47 -11.340 -5.996 0.869 1.00 0.68 C ATOM 756 C GLY A 47 -11.218 -4.641 1.525 1.00 0.51 C ATOM 757 O GLY A 47 -10.948 -4.552 2.722 1.00 0.60 O ATOM 0 H GLY A 47 -12.407 -5.481 -0.866 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -12.172 -6.535 1.321 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -10.438 -6.572 1.074 1.00 0.68 H new ATOM 761 N SER A 48 -11.448 -3.587 0.761 1.00 0.54 N ATOM 762 CA SER A 48 -11.225 -2.238 1.253 1.00 0.72 C ATOM 763 C SER A 48 -12.200 -1.854 2.377 1.00 1.02 C ATOM 764 O SER A 48 -11.787 -1.606 3.505 1.00 1.43 O ATOM 765 CB SER A 48 -11.358 -1.269 0.087 1.00 0.82 C ATOM 766 OG SER A 48 -12.399 -1.673 -0.794 1.00 1.31 O ATOM 0 H SER A 48 -11.788 -3.638 -0.199 1.00 0.54 H new ATOM 0 HA SER A 48 -10.223 -2.190 1.680 1.00 0.72 H new ATOM 0 HB2 SER A 48 -11.564 -0.267 0.464 1.00 0.82 H new ATOM 0 HB3 SER A 48 -10.415 -1.218 -0.457 1.00 0.82 H new ATOM 0 HG SER A 48 -12.660 -0.917 -1.361 1.00 1.31 H new ATOM 772 N MET A 49 -13.490 -1.822 2.066 1.00 1.18 N ATOM 773 CA MET A 49 -14.514 -1.468 3.046 1.00 1.58 C ATOM 774 C MET A 49 -15.582 -2.550 3.131 1.00 1.30 C ATOM 775 O MET A 49 -16.736 -2.269 3.437 1.00 1.70 O ATOM 776 CB MET A 49 -15.155 -0.124 2.692 1.00 2.49 C ATOM 777 CG MET A 49 -14.259 1.089 2.917 1.00 3.25 C ATOM 778 SD MET A 49 -14.295 1.706 4.618 1.00 4.35 S ATOM 779 CE MET A 49 -13.384 0.433 5.492 1.00 5.15 C ATOM 0 H MET A 49 -13.855 -2.038 1.138 1.00 1.18 H new ATOM 0 HA MET A 49 -14.032 -1.382 4.020 1.00 1.58 H new ATOM 0 HB2 MET A 49 -15.457 -0.146 1.645 1.00 2.49 H new ATOM 0 HB3 MET A 49 -16.063 -0.003 3.283 1.00 2.49 H new ATOM 0 HG2 MET A 49 -13.234 0.827 2.655 1.00 3.25 H new ATOM 0 HG3 MET A 49 -14.566 1.888 2.242 1.00 3.25 H new ATOM 0 HE1 MET A 49 -13.068 0.813 6.463 1.00 5.15 H new ATOM 0 HE2 MET A 49 -14.022 -0.439 5.634 1.00 5.15 H new ATOM 0 HE3 MET A 49 -12.507 0.149 4.911 1.00 5.15 H new ATOM 789 N ARG A 50 -15.192 -3.788 2.878 1.00 0.89 N ATOM 790 CA ARG A 50 -16.143 -4.886 2.768 1.00 1.28 C ATOM 791 C ARG A 50 -16.582 -5.404 4.139 1.00 1.22 C ATOM 792 O ARG A 50 -16.929 -6.575 4.282 1.00 1.55 O ATOM 793 CB ARG A 50 -15.569 -6.027 1.927 1.00 1.65 C ATOM 794 CG ARG A 50 -14.458 -6.820 2.590 1.00 2.14 C ATOM 795 CD ARG A 50 -14.474 -8.254 2.091 1.00 2.26 C ATOM 796 NE ARG A 50 -15.727 -8.925 2.441 1.00 3.05 N ATOM 797 CZ ARG A 50 -16.096 -10.119 1.982 1.00 3.84 C ATOM 798 NH1 ARG A 50 -15.300 -10.810 1.175 1.00 4.04 N ATOM 799 NH2 ARG A 50 -17.269 -10.623 2.332 1.00 4.74 N ATOM 0 H ARG A 50 -14.218 -4.061 2.744 1.00 0.89 H new ATOM 0 HA ARG A 50 -17.026 -4.492 2.266 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -16.378 -6.710 1.670 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -15.191 -5.614 0.992 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -13.493 -6.361 2.373 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -14.583 -6.802 3.673 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -14.342 -8.266 1.009 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -13.634 -8.800 2.521 1.00 2.26 H new ATOM 0 HE ARG A 50 -16.361 -8.445 3.080 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -14.395 -10.427 0.901 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -15.593 -11.724 0.829 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -17.886 -10.097 2.951 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -17.556 -11.537 1.983 1.00 4.74 H new ATOM 813 N ASP A 51 -16.547 -4.529 5.140 1.00 0.99 N ATOM 814 CA ASP A 51 -17.001 -4.862 6.488 1.00 1.15 C ATOM 815 C ASP A 51 -18.398 -5.475 6.438 1.00 1.27 C ATOM 816 O ASP A 51 -19.202 -5.102 5.582 1.00 1.24 O ATOM 817 CB ASP A 51 -17.005 -3.614 7.370 1.00 1.25 C ATOM 818 CG ASP A 51 -17.401 -3.927 8.801 1.00 1.85 C ATOM 819 OD1 ASP A 51 -16.512 -4.277 9.603 1.00 1.97 O ATOM 820 OD2 ASP A 51 -18.601 -3.844 9.124 1.00 2.67 O ATOM 0 H ASP A 51 -16.205 -3.573 5.041 1.00 0.99 H new ATOM 0 HA ASP A 51 -16.313 -5.591 6.917 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -16.014 -3.160 7.360 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -17.696 -2.880 6.955 1.00 1.25 H new ATOM 825 N LYS A 52 -18.678 -6.400 7.356 1.00 1.46 N ATOM 826 CA LYS A 52 -19.884 -7.227 7.296 1.00 1.63 C ATOM 827 C LYS A 52 -21.149 -6.396 7.139 1.00 1.60 C ATOM 828 O LYS A 52 -22.043 -6.745 6.355 1.00 1.65 O ATOM 829 CB LYS A 52 -20.011 -8.085 8.551 1.00 1.89 C ATOM 830 CG LYS A 52 -18.874 -9.068 8.739 1.00 2.13 C ATOM 831 CD LYS A 52 -19.120 -9.961 9.942 1.00 2.73 C ATOM 832 CE LYS A 52 -17.953 -10.898 10.192 1.00 3.39 C ATOM 833 NZ LYS A 52 -16.699 -10.154 10.474 1.00 4.02 N ATOM 0 H LYS A 52 -18.079 -6.597 8.158 1.00 1.46 H new ATOM 0 HA LYS A 52 -19.779 -7.862 6.416 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -20.062 -7.432 9.422 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -20.951 -8.635 8.510 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -18.766 -9.680 7.843 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -17.938 -8.526 8.870 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -19.287 -9.344 10.825 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -20.027 -10.544 9.783 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -18.185 -11.551 11.033 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -17.808 -11.538 9.322 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -15.996 -10.801 10.884 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -16.327 -9.753 9.589 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -16.895 -9.385 11.147 1.00 4.02 H new ATOM 847 N LYS A 53 -21.237 -5.295 7.856 1.00 1.58 N ATOM 848 CA LYS A 53 -22.402 -4.454 7.728 1.00 1.61 C ATOM 849 C LYS A 53 -22.442 -3.866 6.323 1.00 1.43 C ATOM 850 O LYS A 53 -23.452 -3.962 5.636 1.00 1.45 O ATOM 851 CB LYS A 53 -22.446 -3.355 8.806 1.00 1.70 C ATOM 852 CG LYS A 53 -21.307 -2.349 8.753 1.00 1.61 C ATOM 853 CD LYS A 53 -21.427 -1.320 9.869 1.00 1.81 C ATOM 854 CE LYS A 53 -22.725 -0.530 9.770 1.00 2.29 C ATOM 855 NZ LYS A 53 -22.888 0.423 10.900 1.00 2.51 N ATOM 0 H LYS A 53 -20.532 -4.969 8.518 1.00 1.58 H new ATOM 0 HA LYS A 53 -23.291 -5.064 7.886 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -23.389 -2.817 8.715 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -22.444 -3.830 9.787 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -20.354 -2.871 8.837 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -21.310 -1.844 7.787 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -21.380 -1.823 10.835 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -20.580 -0.635 9.825 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -22.744 0.019 8.828 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -23.569 -1.220 9.754 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -23.784 0.939 10.792 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -22.896 -0.101 11.798 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -22.097 1.099 10.901 1.00 2.51 H new ATOM 869 N LYS A 54 -21.321 -3.316 5.871 1.00 1.31 N ATOM 870 CA LYS A 54 -21.269 -2.654 4.574 1.00 1.17 C ATOM 871 C LYS A 54 -21.652 -3.593 3.441 1.00 1.19 C ATOM 872 O LYS A 54 -22.426 -3.219 2.569 1.00 1.21 O ATOM 873 CB LYS A 54 -19.897 -2.025 4.333 1.00 1.09 C ATOM 874 CG LYS A 54 -19.815 -0.612 4.871 1.00 1.22 C ATOM 875 CD LYS A 54 -18.387 -0.115 4.961 1.00 1.37 C ATOM 876 CE LYS A 54 -18.323 1.243 5.638 1.00 1.53 C ATOM 877 NZ LYS A 54 -19.096 2.279 4.895 1.00 2.16 N ATOM 0 H LYS A 54 -20.438 -3.315 6.382 1.00 1.31 H new ATOM 0 HA LYS A 54 -22.009 -1.853 4.589 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -19.130 -2.638 4.806 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -19.685 -2.018 3.264 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -20.390 0.054 4.227 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -20.274 -0.574 5.859 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -17.784 -0.832 5.518 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -17.958 -0.047 3.961 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -18.712 1.160 6.653 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -17.283 1.558 5.720 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -18.915 3.214 5.314 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -18.801 2.284 3.898 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -20.112 2.063 4.955 1.00 2.16 H new ATOM 891 N GLU A 55 -21.143 -4.810 3.457 1.00 1.26 N ATOM 892 CA GLU A 55 -21.537 -5.795 2.451 1.00 1.33 C ATOM 893 C GLU A 55 -23.028 -6.112 2.505 1.00 1.46 C ATOM 894 O GLU A 55 -23.594 -6.593 1.523 1.00 1.53 O ATOM 895 CB GLU A 55 -20.711 -7.080 2.583 1.00 1.44 C ATOM 896 CG GLU A 55 -20.414 -7.465 4.013 1.00 1.58 C ATOM 897 CD GLU A 55 -19.851 -8.867 4.142 1.00 1.79 C ATOM 898 OE1 GLU A 55 -18.641 -9.048 3.913 1.00 2.05 O ATOM 899 OE2 GLU A 55 -20.614 -9.798 4.468 1.00 1.96 O ATOM 0 H GLU A 55 -20.465 -5.143 4.142 1.00 1.26 H new ATOM 0 HA GLU A 55 -21.334 -5.348 1.478 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -21.246 -7.897 2.099 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -19.770 -6.954 2.047 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -19.704 -6.754 4.436 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -21.329 -7.391 4.601 1.00 1.58 H new ATOM 906 N GLU A 56 -23.663 -5.867 3.639 1.00 1.51 N ATOM 907 CA GLU A 56 -25.102 -6.065 3.737 1.00 1.64 C ATOM 908 C GLU A 56 -25.896 -4.893 3.147 1.00 1.57 C ATOM 909 O GLU A 56 -26.679 -5.091 2.221 1.00 1.62 O ATOM 910 CB GLU A 56 -25.530 -6.324 5.178 1.00 1.78 C ATOM 911 CG GLU A 56 -25.045 -7.660 5.708 1.00 1.87 C ATOM 912 CD GLU A 56 -25.729 -8.058 6.997 1.00 2.05 C ATOM 913 OE1 GLU A 56 -26.866 -8.570 6.935 1.00 2.33 O ATOM 914 OE2 GLU A 56 -25.138 -7.861 8.077 1.00 2.40 O ATOM 0 H GLU A 56 -23.215 -5.536 4.493 1.00 1.51 H new ATOM 0 HA GLU A 56 -25.332 -6.948 3.141 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -25.147 -5.526 5.814 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -26.618 -6.287 5.241 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -25.219 -8.430 4.956 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -23.968 -7.612 5.872 1.00 1.87 H new ATOM 921 N GLN A 57 -25.704 -3.677 3.657 1.00 1.48 N ATOM 922 CA GLN A 57 -26.544 -2.555 3.210 1.00 1.47 C ATOM 923 C GLN A 57 -25.790 -1.614 2.270 1.00 1.36 C ATOM 924 O GLN A 57 -26.378 -1.040 1.355 1.00 1.40 O ATOM 925 CB GLN A 57 -27.129 -1.760 4.389 1.00 1.55 C ATOM 926 CG GLN A 57 -26.124 -0.910 5.146 1.00 1.59 C ATOM 927 CD GLN A 57 -25.209 -1.731 6.014 1.00 1.75 C ATOM 928 OE1 GLN A 57 -23.964 -1.297 6.136 1.00 2.37 O flip ATOM 929 NE2 GLN A 57 -25.613 -2.753 6.566 1.00 1.85 N flip ATOM 0 H GLN A 57 -25.000 -3.442 4.357 1.00 1.48 H new ATOM 0 HA GLN A 57 -27.371 -3.002 2.659 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -27.922 -1.113 4.014 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -27.591 -2.459 5.086 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -25.528 -0.339 4.434 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -26.657 -0.189 5.766 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -26.581 -3.050 6.444 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -24.980 -3.304 7.146 1.00 1.85 H new ATOM 938 N ASN A 58 -24.494 -1.459 2.493 1.00 1.27 N ATOM 939 CA ASN A 58 -23.668 -0.594 1.653 1.00 1.21 C ATOM 940 C ASN A 58 -23.165 -1.375 0.448 1.00 1.16 C ATOM 941 O ASN A 58 -22.288 -0.926 -0.290 1.00 1.13 O ATOM 942 CB ASN A 58 -22.490 -0.029 2.454 1.00 1.21 C ATOM 943 CG ASN A 58 -22.915 0.993 3.495 1.00 1.55 C ATOM 944 OD1 ASN A 58 -22.333 1.068 4.575 1.00 2.20 O ATOM 945 ND2 ASN A 58 -23.922 1.794 3.181 1.00 1.95 N ATOM 0 H ASN A 58 -23.987 -1.920 3.249 1.00 1.27 H new ATOM 0 HA ASN A 58 -24.275 0.242 1.306 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -21.968 -0.848 2.949 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -21.780 0.433 1.768 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -24.237 2.501 3.845 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -24.382 1.704 2.275 1.00 1.95 H new ATOM 952 N ARG A 59 -23.710 -2.573 0.293 1.00 1.20 N ATOM 953 CA ARG A 59 -23.408 -3.440 -0.834 1.00 1.22 C ATOM 954 C ARG A 59 -23.557 -2.702 -2.165 1.00 1.19 C ATOM 955 O ARG A 59 -24.510 -1.949 -2.377 1.00 1.24 O ATOM 956 CB ARG A 59 -24.316 -4.672 -0.819 1.00 1.36 C ATOM 957 CG ARG A 59 -25.799 -4.351 -0.912 1.00 1.47 C ATOM 958 CD ARG A 59 -26.637 -5.617 -0.941 1.00 1.69 C ATOM 959 NE ARG A 59 -28.071 -5.336 -0.995 1.00 2.08 N ATOM 960 CZ ARG A 59 -28.953 -6.116 -1.621 1.00 2.67 C ATOM 961 NH1 ARG A 59 -28.531 -7.171 -2.306 1.00 2.95 N ATOM 962 NH2 ARG A 59 -30.250 -5.831 -1.580 1.00 3.45 N ATOM 0 H ARG A 59 -24.379 -2.973 0.951 1.00 1.20 H new ATOM 0 HA ARG A 59 -22.370 -3.757 -0.735 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -24.043 -5.322 -1.651 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -24.133 -5.234 0.097 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -26.094 -3.736 -0.062 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -25.991 -3.765 -1.811 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -26.354 -6.217 -1.806 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -26.420 -6.214 -0.055 1.00 1.69 H new ATOM 0 HE ARG A 59 -28.416 -4.497 -0.528 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -27.534 -7.383 -2.353 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -29.203 -7.770 -2.786 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -30.576 -5.012 -1.068 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -30.920 -6.432 -2.061 1.00 3.45 H new ATOM 976 N GLY A 60 -22.599 -2.914 -3.047 1.00 1.15 N ATOM 977 CA GLY A 60 -22.640 -2.304 -4.371 1.00 1.15 C ATOM 978 C GLY A 60 -22.035 -0.907 -4.415 1.00 1.07 C ATOM 979 O GLY A 60 -21.860 -0.338 -5.493 1.00 1.09 O ATOM 0 H GLY A 60 -21.783 -3.502 -2.876 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -22.107 -2.944 -5.074 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -23.676 -2.254 -4.707 1.00 1.15 H new ATOM 983 N LYS A 61 -21.715 -0.358 -3.253 1.00 1.00 N ATOM 984 CA LYS A 61 -21.125 0.980 -3.155 1.00 0.95 C ATOM 985 C LYS A 61 -19.640 0.951 -3.529 1.00 0.80 C ATOM 986 O LYS A 61 -19.089 -0.131 -3.681 1.00 0.77 O ATOM 987 CB LYS A 61 -21.334 1.552 -1.751 1.00 1.04 C ATOM 988 CG LYS A 61 -22.723 2.139 -1.543 1.00 1.55 C ATOM 989 CD LYS A 61 -22.893 3.428 -2.330 1.00 2.06 C ATOM 990 CE LYS A 61 -24.313 3.962 -2.252 1.00 2.55 C ATOM 991 NZ LYS A 61 -25.244 3.217 -3.141 1.00 3.16 N ATOM 0 H LYS A 61 -21.853 -0.819 -2.354 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.630 1.634 -3.866 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -21.166 0.765 -1.016 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -20.588 2.325 -1.566 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -23.477 1.416 -1.854 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -22.885 2.332 -0.483 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -22.202 4.179 -1.948 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -22.629 3.253 -3.373 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -24.667 3.898 -1.223 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -24.318 5.017 -2.526 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -26.200 3.616 -3.055 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -24.923 3.298 -4.127 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -25.261 2.215 -2.864 1.00 3.16 H new ATOM 1005 N PRO A 62 -19.001 2.138 -3.740 1.00 0.77 N ATOM 1006 CA PRO A 62 -17.582 2.301 -4.124 1.00 0.66 C ATOM 1007 C PRO A 62 -16.624 1.193 -3.691 1.00 0.58 C ATOM 1008 O PRO A 62 -15.704 0.838 -4.422 1.00 0.51 O ATOM 1009 CB PRO A 62 -17.237 3.584 -3.385 1.00 0.70 C ATOM 1010 CG PRO A 62 -18.454 4.429 -3.558 1.00 0.81 C ATOM 1011 CD PRO A 62 -19.629 3.474 -3.662 1.00 0.85 C ATOM 0 HA PRO A 62 -17.471 2.292 -5.208 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -17.026 3.396 -2.332 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -16.353 4.063 -3.806 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -18.579 5.107 -2.714 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -18.374 5.045 -4.453 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -20.287 3.555 -2.797 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -20.235 3.682 -4.544 1.00 0.85 H new ATOM 1019 N ASN A 63 -16.870 0.620 -2.541 1.00 0.64 N ATOM 1020 CA ASN A 63 -16.013 -0.416 -1.995 1.00 0.63 C ATOM 1021 C ASN A 63 -16.071 -1.651 -2.876 1.00 0.56 C ATOM 1022 O ASN A 63 -15.073 -2.335 -3.078 1.00 0.51 O ATOM 1023 CB ASN A 63 -16.456 -0.754 -0.578 1.00 0.79 C ATOM 1024 CG ASN A 63 -17.389 0.292 0.008 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -16.953 1.230 0.665 1.00 1.93 O ATOM 1026 ND2 ASN A 63 -18.678 0.155 -0.254 1.00 1.06 N ATOM 0 H ASN A 63 -17.669 0.854 -1.952 1.00 0.64 H new ATOM 0 HA ASN A 63 -14.984 -0.056 -1.966 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -16.957 -1.722 -0.579 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -15.578 -0.850 0.060 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -19.345 0.843 0.094 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -19.005 -0.639 -0.804 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.254 -1.906 -3.402 1.00 0.61 N ATOM 1034 CA TRP A 64 -17.494 -2.997 -4.318 1.00 0.62 C ATOM 1035 C TRP A 64 -17.313 -2.512 -5.736 1.00 0.60 C ATOM 1036 O TRP A 64 -17.017 -3.296 -6.630 1.00 0.66 O ATOM 1037 CB TRP A 64 -18.894 -3.543 -4.110 1.00 0.78 C ATOM 1038 CG TRP A 64 -19.206 -3.645 -2.652 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -19.830 -2.718 -1.868 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -18.839 -4.716 -1.794 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -19.884 -3.161 -0.572 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -19.279 -4.388 -0.502 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -18.184 -5.929 -1.996 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -19.077 -5.232 0.579 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -17.985 -6.766 -0.922 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -18.429 -6.415 0.352 1.00 1.18 C ATOM 0 H TRP A 64 -18.085 -1.351 -3.200 1.00 0.61 H new ATOM 0 HA TRP A 64 -16.781 -3.800 -4.130 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -19.620 -2.893 -4.598 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -18.981 -4.525 -4.576 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -20.223 -1.775 -2.217 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -20.305 -2.660 0.211 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -17.838 -6.208 -2.980 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -19.420 -4.964 1.568 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -17.478 -7.708 -1.068 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -18.258 -7.091 1.177 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.499 -1.206 -5.919 1.00 0.57 N ATOM 1058 CA GLU A 65 -17.209 -0.544 -7.182 1.00 0.55 C ATOM 1059 C GLU A 65 -15.803 -0.902 -7.639 1.00 0.48 C ATOM 1060 O GLU A 65 -15.568 -1.246 -8.793 1.00 0.51 O ATOM 1061 CB GLU A 65 -17.327 0.975 -7.016 1.00 0.59 C ATOM 1062 CG GLU A 65 -16.303 1.774 -7.814 1.00 0.69 C ATOM 1063 CD GLU A 65 -16.263 3.232 -7.419 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -17.068 4.016 -7.961 1.00 1.59 O ATOM 1065 OE2 GLU A 65 -15.426 3.599 -6.562 1.00 1.28 O ATOM 0 H GLU A 65 -17.854 -0.581 -5.195 1.00 0.57 H new ATOM 0 HA GLU A 65 -17.927 -0.877 -7.931 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -18.328 1.285 -7.317 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -17.221 1.223 -5.960 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -15.315 1.336 -7.671 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -16.535 1.696 -8.876 1.00 0.69 H new ATOM 1072 N HIS A 66 -14.869 -0.781 -6.711 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.481 -1.108 -6.972 1.00 0.38 C ATOM 1074 C HIS A 66 -13.096 -2.488 -6.435 1.00 0.36 C ATOM 1075 O HIS A 66 -11.945 -2.895 -6.557 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.557 -0.028 -6.406 1.00 0.38 C ATOM 1077 CG HIS A 66 -12.747 0.277 -4.953 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -13.036 1.538 -4.481 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.627 -0.510 -3.867 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -13.077 1.512 -3.160 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -12.832 0.279 -2.762 1.00 0.47 N ATOM 0 H HIS A 66 -15.051 -0.455 -5.762 1.00 0.43 H new ATOM 0 HA HIS A 66 -13.359 -1.144 -8.055 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.524 -0.338 -6.564 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -12.705 0.889 -6.976 1.00 0.38 H new ATOM 0 HD1 HIS A 66 -13.194 2.363 -5.060 1.00 0.47 H new ATOM 0 HD2 HIS A 66 -12.409 -1.568 -3.865 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -13.277 2.356 -2.517 1.00 0.52 H new ATOM 1090 N LEU A 67 -14.046 -3.197 -5.824 1.00 0.38 N ATOM 1091 CA LEU A 67 -13.761 -4.516 -5.238 1.00 0.40 C ATOM 1092 C LEU A 67 -13.396 -5.518 -6.318 1.00 0.41 C ATOM 1093 O LEU A 67 -12.765 -6.543 -6.066 1.00 0.43 O ATOM 1094 CB LEU A 67 -14.965 -5.048 -4.463 1.00 0.48 C ATOM 1095 CG LEU A 67 -14.736 -6.382 -3.751 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -14.490 -6.162 -2.268 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -15.914 -7.316 -3.975 1.00 1.59 C ATOM 0 H LEU A 67 -15.012 -2.887 -5.720 1.00 0.38 H new ATOM 0 HA LEU A 67 -12.921 -4.389 -4.555 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -15.260 -4.304 -3.723 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -15.802 -5.160 -5.153 1.00 0.48 H new ATOM 0 HG LEU A 67 -13.848 -6.851 -4.174 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -14.329 -7.123 -1.779 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -13.608 -5.535 -2.134 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -15.356 -5.670 -1.825 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -15.733 -8.260 -3.461 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -16.822 -6.857 -3.583 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -16.033 -7.501 -5.042 1.00 1.59 H new ATOM 1109 N ASN A 68 -13.805 -5.194 -7.518 1.00 0.43 N ATOM 1110 CA ASN A 68 -13.606 -6.051 -8.675 1.00 0.47 C ATOM 1111 C ASN A 68 -12.252 -5.762 -9.317 1.00 0.44 C ATOM 1112 O ASN A 68 -11.877 -6.359 -10.329 1.00 0.52 O ATOM 1113 CB ASN A 68 -14.753 -5.837 -9.661 1.00 0.57 C ATOM 1114 CG ASN A 68 -15.085 -4.371 -9.824 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -14.576 -3.704 -10.723 1.00 1.86 O ATOM 1116 ND2 ASN A 68 -15.926 -3.839 -8.938 1.00 0.58 N ATOM 0 H ASN A 68 -14.290 -4.322 -7.729 1.00 0.43 H new ATOM 0 HA ASN A 68 -13.605 -7.097 -8.368 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -14.484 -6.259 -10.629 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -15.636 -6.374 -9.314 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -16.166 -2.849 -8.993 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -16.330 -4.422 -8.205 1.00 0.58 H new ATOM 1123 N GLU A 69 -11.532 -4.833 -8.706 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.154 -4.547 -9.066 1.00 0.37 C ATOM 1125 C GLU A 69 -9.230 -5.291 -8.108 1.00 0.32 C ATOM 1126 O GLU A 69 -9.688 -5.846 -7.107 1.00 0.35 O ATOM 1127 CB GLU A 69 -9.880 -3.041 -8.971 1.00 0.38 C ATOM 1128 CG GLU A 69 -10.751 -2.184 -9.881 1.00 0.45 C ATOM 1129 CD GLU A 69 -10.470 -0.699 -9.728 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -9.381 -0.252 -10.141 1.00 1.39 O ATOM 1131 OE2 GLU A 69 -11.333 0.030 -9.191 1.00 1.85 O ATOM 0 H GLU A 69 -11.889 -4.256 -7.945 1.00 0.37 H new ATOM 0 HA GLU A 69 -9.975 -4.872 -10.091 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -10.029 -2.721 -7.940 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -8.833 -2.859 -9.213 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -10.585 -2.477 -10.918 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -11.801 -2.376 -9.660 1.00 0.45 H new ATOM 1138 N ASP A 70 -7.938 -5.314 -8.402 1.00 0.32 N ATOM 1139 CA ASP A 70 -6.974 -5.886 -7.468 1.00 0.30 C ATOM 1140 C ASP A 70 -6.668 -4.870 -6.390 1.00 0.22 C ATOM 1141 O ASP A 70 -6.675 -3.662 -6.653 1.00 0.24 O ATOM 1142 CB ASP A 70 -5.671 -6.326 -8.141 1.00 0.41 C ATOM 1143 CG ASP A 70 -5.020 -7.491 -7.406 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -4.571 -7.305 -6.259 1.00 1.10 O ATOM 1145 OD2 ASP A 70 -4.976 -8.605 -7.972 1.00 1.21 O ATOM 0 H ASP A 70 -7.536 -4.950 -9.266 1.00 0.32 H new ATOM 0 HA ASP A 70 -7.427 -6.782 -7.044 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -5.874 -6.615 -9.172 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -4.978 -5.485 -8.176 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.446 -5.360 -5.181 1.00 0.19 N ATOM 1151 CA LEU A 71 -6.231 -4.511 -4.022 1.00 0.17 C ATOM 1152 C LEU A 71 -5.125 -3.492 -4.315 1.00 0.17 C ATOM 1153 O LEU A 71 -3.998 -3.853 -4.611 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.834 -5.387 -2.830 1.00 0.19 C ATOM 1155 CG LEU A 71 -6.350 -4.930 -1.465 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -5.796 -5.824 -0.366 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -5.986 -3.480 -1.212 1.00 0.79 C ATOM 0 H LEU A 71 -6.410 -6.359 -4.976 1.00 0.19 H new ATOM 0 HA LEU A 71 -7.148 -3.970 -3.790 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -6.193 -6.400 -3.012 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -4.746 -5.438 -2.787 1.00 0.19 H new ATOM 0 HG LEU A 71 -7.437 -5.011 -1.461 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.171 -5.488 0.600 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -6.112 -6.853 -0.540 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -4.707 -5.773 -0.370 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -6.363 -3.175 -0.236 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -4.902 -3.368 -1.234 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -6.431 -2.853 -1.984 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.462 -2.219 -4.298 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.463 -1.184 -4.506 1.00 0.17 C ATOM 1171 C HIS A 72 -4.801 0.056 -3.706 1.00 0.17 C ATOM 1172 O HIS A 72 -5.921 0.206 -3.227 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.310 -0.832 -5.992 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.528 -0.245 -6.645 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.409 -1.003 -7.378 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -5.971 1.038 -6.740 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -7.331 -0.222 -7.900 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -7.091 1.021 -7.533 1.00 0.29 N ATOM 0 H HIS A 72 -6.410 -1.875 -4.144 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.509 -1.580 -4.157 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.486 -0.126 -6.097 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -4.027 -1.734 -6.534 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -6.357 -2.014 -7.499 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.525 1.906 -6.278 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -8.149 -0.546 -8.526 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.853 0.959 -3.593 1.00 0.19 N ATOM 1188 CA VAL A 73 -4.097 2.206 -2.898 1.00 0.19 C ATOM 1189 C VAL A 73 -4.214 3.305 -3.930 1.00 0.20 C ATOM 1190 O VAL A 73 -3.362 3.443 -4.808 1.00 0.28 O ATOM 1191 CB VAL A 73 -2.997 2.545 -1.864 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -3.029 1.554 -0.709 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.621 2.562 -2.509 1.00 0.29 C ATOM 0 H VAL A 73 -2.911 0.856 -3.970 1.00 0.19 H new ATOM 0 HA VAL A 73 -5.021 2.108 -2.329 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.199 3.543 -1.476 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -2.249 1.807 0.009 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -4.002 1.598 -0.219 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -2.859 0.547 -1.089 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -0.870 2.803 -1.757 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.407 1.582 -2.935 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.598 3.313 -3.298 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.295 4.040 -3.877 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.559 5.032 -4.887 1.00 0.18 C ATOM 1205 C LEU A 74 -5.765 6.382 -4.260 1.00 0.18 C ATOM 1206 O LEU A 74 -6.715 6.614 -3.521 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.762 4.597 -5.742 1.00 0.22 C ATOM 1208 CG LEU A 74 -7.159 5.519 -6.900 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -8.023 4.758 -7.879 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -7.920 6.741 -6.410 1.00 0.80 C ATOM 0 H LEU A 74 -6.005 3.971 -3.148 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.696 5.118 -5.547 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.548 3.610 -6.152 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.624 4.488 -5.084 1.00 0.22 H new ATOM 0 HG LEU A 74 -6.243 5.859 -7.384 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -8.305 5.414 -8.702 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -7.467 3.905 -8.269 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -8.921 4.404 -7.373 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -8.184 7.370 -7.260 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -8.828 6.423 -5.898 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -7.294 7.307 -5.720 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.866 7.275 -4.579 1.00 0.19 N ATOM 1223 CA ILE A 75 -4.971 8.635 -4.139 1.00 0.18 C ATOM 1224 C ILE A 75 -5.909 9.381 -5.066 1.00 0.18 C ATOM 1225 O ILE A 75 -5.603 9.614 -6.236 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.581 9.310 -4.099 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.643 8.642 -5.110 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -3.000 9.251 -2.695 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.293 9.311 -5.239 1.00 0.30 C ATOM 0 H ILE A 75 -4.044 7.078 -5.150 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.372 8.658 -3.126 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.690 10.359 -4.373 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.494 7.602 -4.819 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -3.127 8.633 -6.087 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -2.021 9.731 -2.686 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.665 9.769 -2.004 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -2.897 8.210 -2.387 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.691 8.777 -5.974 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.428 10.343 -5.562 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.786 9.296 -4.274 1.00 0.30 H new ATOM 1241 N THR A 76 -7.072 9.714 -4.536 1.00 0.17 N ATOM 1242 CA THR A 76 -8.087 10.399 -5.296 1.00 0.20 C ATOM 1243 C THR A 76 -8.093 11.861 -4.908 1.00 0.19 C ATOM 1244 O THR A 76 -8.430 12.193 -3.772 1.00 0.22 O ATOM 1245 CB THR A 76 -9.479 9.840 -4.996 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.370 8.584 -4.321 1.00 0.25 O ATOM 1247 CG2 THR A 76 -10.254 9.648 -6.273 1.00 0.31 C ATOM 0 H THR A 76 -7.333 9.516 -3.570 1.00 0.17 H new ATOM 0 HA THR A 76 -7.861 10.263 -6.354 1.00 0.20 H new ATOM 0 HB THR A 76 -10.004 10.553 -4.360 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.096 8.734 -3.392 1.00 0.25 H new ATOM 0 HG21 THR A 76 -11.242 9.250 -6.043 1.00 0.31 H new ATOM 0 HG22 THR A 76 -10.359 10.606 -6.783 1.00 0.31 H new ATOM 0 HG23 THR A 76 -9.723 8.949 -6.919 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.719 12.739 -5.806 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.758 14.143 -5.476 1.00 0.25 C ATOM 1257 C VAL A 77 -8.736 14.857 -6.384 1.00 0.33 C ATOM 1258 O VAL A 77 -8.700 14.715 -7.612 1.00 0.44 O ATOM 1259 CB VAL A 77 -6.358 14.824 -5.510 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -6.127 15.635 -6.775 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -6.182 15.703 -4.285 1.00 0.86 C ATOM 0 H VAL A 77 -7.392 12.516 -6.746 1.00 0.23 H new ATOM 0 HA VAL A 77 -8.098 14.221 -4.443 1.00 0.25 H new ATOM 0 HB VAL A 77 -5.614 14.028 -5.506 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -5.135 16.086 -6.742 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -6.200 14.982 -7.644 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -6.880 16.420 -6.847 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -5.201 16.176 -4.315 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -6.955 16.471 -4.274 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -6.264 15.093 -3.385 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.667 15.545 -5.762 1.00 0.37 N ATOM 1272 CA GLU A 78 -10.586 16.381 -6.488 1.00 0.50 C ATOM 1273 C GLU A 78 -10.055 17.807 -6.436 1.00 0.63 C ATOM 1274 O GLU A 78 -10.388 18.566 -5.525 1.00 0.77 O ATOM 1275 CB GLU A 78 -11.979 16.290 -5.854 1.00 0.63 C ATOM 1276 CG GLU A 78 -12.494 14.860 -5.740 1.00 0.62 C ATOM 1277 CD GLU A 78 -13.813 14.760 -4.999 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -13.805 14.778 -3.749 1.00 1.63 O ATOM 1279 OE2 GLU A 78 -14.868 14.658 -5.662 1.00 1.55 O ATOM 0 H GLU A 78 -9.805 15.539 -4.751 1.00 0.37 H new ATOM 0 HA GLU A 78 -10.672 16.058 -7.526 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -11.949 16.739 -4.861 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.681 16.876 -6.448 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -12.613 14.442 -6.740 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -11.749 14.252 -5.227 1.00 0.62 H new ATOM 1286 N ASP A 79 -9.227 18.152 -7.419 1.00 0.66 N ATOM 1287 CA ASP A 79 -8.495 19.420 -7.432 1.00 0.84 C ATOM 1288 C ASP A 79 -7.434 19.365 -8.529 1.00 0.75 C ATOM 1289 O ASP A 79 -6.947 18.286 -8.871 1.00 1.08 O ATOM 1290 CB ASP A 79 -7.807 19.673 -6.081 1.00 1.20 C ATOM 1291 CG ASP A 79 -7.498 21.138 -5.837 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -7.004 21.814 -6.759 1.00 1.81 O ATOM 1293 OD2 ASP A 79 -7.761 21.628 -4.721 1.00 2.05 O ATOM 0 H ASP A 79 -9.043 17.562 -8.230 1.00 0.66 H new ATOM 0 HA ASP A 79 -9.200 20.230 -7.618 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -8.447 19.304 -5.279 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -6.881 19.100 -6.039 1.00 1.20 H new ATOM 1298 N ALA A 80 -7.100 20.514 -9.092 1.00 0.91 N ATOM 1299 CA ALA A 80 -6.094 20.592 -10.144 1.00 1.17 C ATOM 1300 C ALA A 80 -4.740 21.046 -9.593 1.00 1.09 C ATOM 1301 O ALA A 80 -3.739 21.036 -10.309 1.00 1.60 O ATOM 1302 CB ALA A 80 -6.562 21.532 -11.244 1.00 1.85 C ATOM 0 H ALA A 80 -7.512 21.412 -8.838 1.00 0.91 H new ATOM 0 HA ALA A 80 -5.963 19.593 -10.560 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -5.804 21.584 -12.025 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -7.495 21.160 -11.668 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -6.723 22.527 -10.828 1.00 1.85 H new ATOM 1308 N GLN A 81 -4.719 21.450 -8.324 1.00 1.04 N ATOM 1309 CA GLN A 81 -3.515 22.013 -7.709 1.00 1.65 C ATOM 1310 C GLN A 81 -2.365 21.008 -7.630 1.00 0.98 C ATOM 1311 O GLN A 81 -2.534 19.860 -7.195 1.00 0.75 O ATOM 1312 CB GLN A 81 -3.818 22.540 -6.302 1.00 2.75 C ATOM 1313 CG GLN A 81 -4.711 23.769 -6.281 1.00 3.72 C ATOM 1314 CD GLN A 81 -4.997 24.254 -4.872 1.00 4.69 C ATOM 1315 OE1 GLN A 81 -4.261 25.074 -4.322 1.00 5.14 O ATOM 1316 NE2 GLN A 81 -6.062 23.749 -4.271 1.00 5.39 N ATOM 0 H GLN A 81 -5.524 21.398 -7.699 1.00 1.04 H new ATOM 0 HA GLN A 81 -3.200 22.833 -8.355 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -4.294 21.748 -5.723 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -2.878 22.778 -5.804 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -4.236 24.569 -6.848 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -5.652 23.539 -6.781 1.00 3.72 H new ATOM 0 HE21 GLN A 81 -6.649 23.072 -4.758 1.00 5.39 H new ATOM 0 HE22 GLN A 81 -6.296 24.037 -3.321 1.00 5.39 H new ATOM 1325 N ASN A 82 -1.184 21.463 -8.039 1.00 0.84 N ATOM 1326 CA ASN A 82 0.043 20.687 -7.888 1.00 0.71 C ATOM 1327 C ASN A 82 0.329 20.457 -6.414 1.00 0.59 C ATOM 1328 O ASN A 82 0.888 19.431 -6.033 1.00 0.56 O ATOM 1329 CB ASN A 82 1.233 21.408 -8.533 1.00 1.13 C ATOM 1330 CG ASN A 82 1.174 21.407 -10.048 1.00 1.74 C ATOM 1331 OD1 ASN A 82 0.563 22.288 -10.657 1.00 2.48 O ATOM 1332 ND2 ASN A 82 1.830 20.436 -10.666 1.00 2.28 N ATOM 0 H ASN A 82 -1.051 22.373 -8.481 1.00 0.84 H new ATOM 0 HA ASN A 82 -0.096 19.730 -8.390 1.00 0.71 H new ATOM 0 HB2 ASN A 82 1.264 22.438 -8.177 1.00 1.13 H new ATOM 0 HB3 ASN A 82 2.158 20.931 -8.210 1.00 1.13 H new ATOM 0 HD21 ASN A 82 1.843 20.397 -11.685 1.00 2.28 H new ATOM 0 HD22 ASN A 82 2.322 19.727 -10.123 1.00 2.28 H new ATOM 1339 N ARG A 83 -0.058 21.426 -5.589 1.00 0.65 N ATOM 1340 CA ARG A 83 0.048 21.300 -4.140 1.00 0.63 C ATOM 1341 C ARG A 83 -0.699 20.063 -3.667 1.00 0.46 C ATOM 1342 O ARG A 83 -0.218 19.319 -2.816 1.00 0.43 O ATOM 1343 CB ARG A 83 -0.537 22.530 -3.445 1.00 0.81 C ATOM 1344 CG ARG A 83 -0.368 22.508 -1.933 1.00 1.66 C ATOM 1345 CD ARG A 83 -1.252 23.543 -1.254 1.00 2.10 C ATOM 1346 NE ARG A 83 -2.670 23.197 -1.345 1.00 2.64 N ATOM 1347 CZ ARG A 83 -3.663 24.007 -0.976 1.00 3.34 C ATOM 1348 NH1 ARG A 83 -3.404 25.212 -0.480 1.00 3.68 N ATOM 1349 NH2 ARG A 83 -4.922 23.605 -1.094 1.00 4.17 N ATOM 0 H ARG A 83 -0.451 22.313 -5.903 1.00 0.65 H new ATOM 0 HA ARG A 83 1.104 21.214 -3.886 1.00 0.63 H new ATOM 0 HB2 ARG A 83 -0.059 23.425 -3.843 1.00 0.81 H new ATOM 0 HB3 ARG A 83 -1.598 22.602 -3.683 1.00 0.81 H new ATOM 0 HG2 ARG A 83 -0.612 21.516 -1.554 1.00 1.66 H new ATOM 0 HG3 ARG A 83 0.675 22.698 -1.680 1.00 1.66 H new ATOM 0 HD2 ARG A 83 -0.967 23.631 -0.206 1.00 2.10 H new ATOM 0 HD3 ARG A 83 -1.087 24.518 -1.713 1.00 2.10 H new ATOM 0 HE ARG A 83 -2.915 22.278 -1.714 1.00 2.64 H new ATOM 0 HH11 ARG A 83 -2.439 25.525 -0.379 1.00 3.68 H new ATOM 0 HH12 ARG A 83 -4.171 25.824 -0.201 1.00 3.68 H new ATOM 0 HH21 ARG A 83 -5.129 22.678 -1.466 1.00 4.17 H new ATOM 0 HH22 ARG A 83 -5.683 24.223 -0.812 1.00 4.17 H new ATOM 1363 N ALA A 84 -1.873 19.852 -4.248 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.729 18.742 -3.878 1.00 0.38 C ATOM 1365 C ALA A 84 -2.036 17.415 -4.137 1.00 0.29 C ATOM 1366 O ALA A 84 -1.894 16.595 -3.231 1.00 0.35 O ATOM 1367 CB ALA A 84 -4.049 18.814 -4.635 1.00 0.49 C ATOM 0 H ALA A 84 -2.254 20.445 -4.985 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.937 18.812 -2.810 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.680 17.974 -4.346 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -4.556 19.748 -4.394 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -3.856 18.771 -5.707 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.575 17.222 -5.371 1.00 0.25 N ATOM 1374 CA GLU A 85 -0.916 15.974 -5.744 1.00 0.26 C ATOM 1375 C GLU A 85 0.422 15.818 -5.020 1.00 0.28 C ATOM 1376 O GLU A 85 0.822 14.708 -4.685 1.00 0.34 O ATOM 1377 CB GLU A 85 -0.704 15.889 -7.255 1.00 0.34 C ATOM 1378 CG GLU A 85 0.250 16.946 -7.789 1.00 0.49 C ATOM 1379 CD GLU A 85 0.777 16.637 -9.170 1.00 0.79 C ATOM 1380 OE1 GLU A 85 -0.030 16.561 -10.117 1.00 1.24 O ATOM 1381 OE2 GLU A 85 2.012 16.498 -9.316 1.00 1.31 O ATOM 0 H GLU A 85 -1.645 17.908 -6.123 1.00 0.25 H new ATOM 0 HA GLU A 85 -1.573 15.159 -5.440 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -0.318 14.901 -7.506 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -1.666 15.992 -7.756 1.00 0.34 H new ATOM 0 HG2 GLU A 85 -0.261 17.908 -7.810 1.00 0.49 H new ATOM 0 HG3 GLU A 85 1.090 17.047 -7.102 1.00 0.49 H new ATOM 1388 N LEU A 86 1.106 16.925 -4.766 1.00 0.30 N ATOM 1389 CA LEU A 86 2.382 16.880 -4.067 1.00 0.36 C ATOM 1390 C LEU A 86 2.167 16.369 -2.648 1.00 0.28 C ATOM 1391 O LEU A 86 2.922 15.536 -2.140 1.00 0.28 O ATOM 1392 CB LEU A 86 3.025 18.276 -4.045 1.00 0.47 C ATOM 1393 CG LEU A 86 4.560 18.325 -3.923 1.00 0.73 C ATOM 1394 CD1 LEU A 86 5.023 17.886 -2.539 1.00 1.45 C ATOM 1395 CD2 LEU A 86 5.212 17.466 -4.999 1.00 1.47 C ATOM 0 H LEU A 86 0.800 17.861 -5.032 1.00 0.30 H new ATOM 0 HA LEU A 86 3.056 16.201 -4.590 1.00 0.36 H new ATOM 0 HB2 LEU A 86 2.739 18.798 -4.958 1.00 0.47 H new ATOM 0 HB3 LEU A 86 2.599 18.835 -3.212 1.00 0.47 H new ATOM 0 HG LEU A 86 4.870 19.360 -4.067 1.00 0.73 H new ATOM 0 HD11 LEU A 86 6.111 17.932 -2.488 1.00 1.45 H new ATOM 0 HD12 LEU A 86 4.595 18.547 -1.786 1.00 1.45 H new ATOM 0 HD13 LEU A 86 4.694 16.864 -2.353 1.00 1.45 H new ATOM 0 HD21 LEU A 86 6.296 17.514 -4.896 1.00 1.47 H new ATOM 0 HD22 LEU A 86 4.882 16.433 -4.889 1.00 1.47 H new ATOM 0 HD23 LEU A 86 4.925 17.836 -5.983 1.00 1.47 H new ATOM 1407 N LYS A 87 1.109 16.856 -2.028 1.00 0.24 N ATOM 1408 CA LYS A 87 0.797 16.500 -0.661 1.00 0.22 C ATOM 1409 C LYS A 87 0.355 15.040 -0.578 1.00 0.18 C ATOM 1410 O LYS A 87 0.758 14.311 0.329 1.00 0.20 O ATOM 1411 CB LYS A 87 -0.288 17.441 -0.130 1.00 0.27 C ATOM 1412 CG LYS A 87 -0.046 17.922 1.290 1.00 0.29 C ATOM 1413 CD LYS A 87 -0.949 19.101 1.625 1.00 0.75 C ATOM 1414 CE LYS A 87 -0.598 19.727 2.965 1.00 1.40 C ATOM 1415 NZ LYS A 87 -0.879 18.812 4.100 1.00 1.74 N ATOM 0 H LYS A 87 0.448 17.504 -2.455 1.00 0.24 H new ATOM 0 HA LYS A 87 1.688 16.608 -0.042 1.00 0.22 H new ATOM 0 HB2 LYS A 87 -0.359 18.306 -0.789 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -1.250 16.930 -0.171 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -0.230 17.107 1.991 1.00 0.29 H new ATOM 0 HG3 LYS A 87 0.998 18.213 1.407 1.00 0.29 H new ATOM 0 HD2 LYS A 87 -0.867 19.854 0.841 1.00 0.75 H new ATOM 0 HD3 LYS A 87 -1.987 18.769 1.641 1.00 0.75 H new ATOM 0 HE2 LYS A 87 0.457 19.999 2.972 1.00 1.40 H new ATOM 0 HE3 LYS A 87 -1.166 20.649 3.094 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 -0.401 19.162 4.955 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 -1.905 18.773 4.268 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 -0.529 17.859 3.873 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.453 14.604 -1.538 1.00 0.19 N ATOM 1430 CA LEU A 88 -0.925 13.225 -1.549 1.00 0.21 C ATOM 1431 C LEU A 88 0.196 12.244 -1.887 1.00 0.21 C ATOM 1432 O LEU A 88 0.256 11.161 -1.316 1.00 0.22 O ATOM 1433 CB LEU A 88 -2.126 13.044 -2.496 1.00 0.30 C ATOM 1434 CG LEU A 88 -1.966 13.562 -3.929 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -1.264 12.545 -4.798 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -3.315 13.899 -4.530 1.00 1.33 C ATOM 0 H LEU A 88 -0.792 15.178 -2.310 1.00 0.19 H new ATOM 0 HA LEU A 88 -1.264 12.998 -0.538 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.362 11.981 -2.544 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -2.987 13.542 -2.050 1.00 0.30 H new ATOM 0 HG LEU A 88 -1.358 14.466 -3.887 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -1.164 12.938 -5.810 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -0.275 12.338 -4.389 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -1.846 11.624 -4.823 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -3.179 14.265 -5.548 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -3.940 13.006 -4.546 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -3.799 14.669 -3.929 1.00 1.33 H new ATOM 1448 N LYS A 89 1.098 12.623 -2.789 1.00 0.26 N ATOM 1449 CA LYS A 89 2.153 11.706 -3.219 1.00 0.31 C ATOM 1450 C LYS A 89 3.138 11.422 -2.092 1.00 0.29 C ATOM 1451 O LYS A 89 3.614 10.302 -1.956 1.00 0.30 O ATOM 1452 CB LYS A 89 2.875 12.203 -4.488 1.00 0.41 C ATOM 1453 CG LYS A 89 3.587 13.547 -4.370 1.00 0.47 C ATOM 1454 CD LYS A 89 4.999 13.425 -3.809 1.00 0.90 C ATOM 1455 CE LYS A 89 5.891 12.575 -4.698 1.00 1.05 C ATOM 1456 NZ LYS A 89 7.308 12.605 -4.249 1.00 2.07 N ATOM 0 H LYS A 89 1.122 13.542 -3.231 1.00 0.26 H new ATOM 0 HA LYS A 89 1.668 10.765 -3.479 1.00 0.31 H new ATOM 0 HB2 LYS A 89 3.607 11.451 -4.783 1.00 0.41 H new ATOM 0 HB3 LYS A 89 2.145 12.271 -5.294 1.00 0.41 H new ATOM 0 HG2 LYS A 89 3.632 14.016 -5.353 1.00 0.47 H new ATOM 0 HG3 LYS A 89 3.003 14.207 -3.728 1.00 0.47 H new ATOM 0 HD2 LYS A 89 5.434 14.419 -3.702 1.00 0.90 H new ATOM 0 HD3 LYS A 89 4.957 12.987 -2.812 1.00 0.90 H new ATOM 0 HE2 LYS A 89 5.531 11.546 -4.697 1.00 1.05 H new ATOM 0 HE3 LYS A 89 5.828 12.933 -5.725 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 7.933 12.669 -5.077 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 7.460 13.431 -3.635 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 7.523 11.736 -3.720 1.00 2.07 H new ATOM 1470 N ARG A 90 3.426 12.421 -1.269 1.00 0.27 N ATOM 1471 CA ARG A 90 4.324 12.214 -0.139 1.00 0.30 C ATOM 1472 C ARG A 90 3.646 11.348 0.916 1.00 0.25 C ATOM 1473 O ARG A 90 4.264 10.455 1.496 1.00 0.28 O ATOM 1474 CB ARG A 90 4.790 13.542 0.475 1.00 0.36 C ATOM 1475 CG ARG A 90 3.662 14.450 0.933 1.00 0.35 C ATOM 1476 CD ARG A 90 3.950 15.058 2.295 1.00 0.75 C ATOM 1477 NE ARG A 90 3.985 14.047 3.351 1.00 1.44 N ATOM 1478 CZ ARG A 90 4.380 14.289 4.597 1.00 1.98 C ATOM 1479 NH1 ARG A 90 4.791 15.502 4.945 1.00 2.10 N ATOM 1480 NH2 ARG A 90 4.367 13.318 5.498 1.00 2.93 N ATOM 0 H ARG A 90 3.058 13.368 -1.359 1.00 0.27 H new ATOM 0 HA ARG A 90 5.211 11.700 -0.510 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.436 13.328 1.326 1.00 0.36 H new ATOM 0 HB3 ARG A 90 5.395 14.075 -0.258 1.00 0.36 H new ATOM 0 HG2 ARG A 90 3.516 15.246 0.203 1.00 0.35 H new ATOM 0 HG3 ARG A 90 2.732 13.882 0.977 1.00 0.35 H new ATOM 0 HD2 ARG A 90 4.905 15.582 2.263 1.00 0.75 H new ATOM 0 HD3 ARG A 90 3.187 15.800 2.529 1.00 0.75 H new ATOM 0 HE ARG A 90 3.689 13.099 3.118 1.00 1.44 H new ATOM 0 HH11 ARG A 90 4.805 16.253 4.255 1.00 2.10 H new ATOM 0 HH12 ARG A 90 5.093 15.683 5.902 1.00 2.10 H new ATOM 0 HH21 ARG A 90 4.054 12.383 5.236 1.00 2.93 H new ATOM 0 HH22 ARG A 90 4.670 13.505 6.454 1.00 2.93 H new ATOM 1494 N ALA A 91 2.363 11.601 1.138 1.00 0.22 N ATOM 1495 CA ALA A 91 1.589 10.843 2.109 1.00 0.23 C ATOM 1496 C ALA A 91 1.413 9.403 1.648 1.00 0.21 C ATOM 1497 O ALA A 91 1.527 8.461 2.433 1.00 0.24 O ATOM 1498 CB ALA A 91 0.234 11.498 2.321 1.00 0.26 C ATOM 0 H ALA A 91 1.835 12.329 0.656 1.00 0.22 H new ATOM 0 HA ALA A 91 2.130 10.836 3.055 1.00 0.23 H new ATOM 0 HB1 ALA A 91 -0.338 10.923 3.049 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.375 12.514 2.690 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.308 11.527 1.376 1.00 0.26 H new ATOM 1504 N VAL A 92 1.147 9.240 0.363 1.00 0.18 N ATOM 1505 CA VAL A 92 0.923 7.924 -0.205 1.00 0.19 C ATOM 1506 C VAL A 92 2.232 7.149 -0.316 1.00 0.22 C ATOM 1507 O VAL A 92 2.236 5.924 -0.288 1.00 0.24 O ATOM 1508 CB VAL A 92 0.232 8.010 -1.579 1.00 0.22 C ATOM 1509 CG1 VAL A 92 1.217 8.367 -2.683 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.495 6.711 -1.890 1.00 0.26 C ATOM 0 H VAL A 92 1.081 10.006 -0.307 1.00 0.18 H new ATOM 0 HA VAL A 92 0.258 7.387 0.471 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.503 8.814 -1.534 1.00 0.22 H new ATOM 0 HG11 VAL A 92 0.692 8.418 -3.637 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.671 9.334 -2.467 1.00 0.25 H new ATOM 0 HG13 VAL A 92 1.994 7.605 -2.737 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -0.978 6.788 -2.864 1.00 0.26 H new ATOM 0 HG22 VAL A 92 0.220 5.888 -1.904 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.249 6.524 -1.125 1.00 0.26 H new ATOM 1520 N GLU A 93 3.340 7.863 -0.470 1.00 0.25 N ATOM 1521 CA GLU A 93 4.648 7.232 -0.450 1.00 0.31 C ATOM 1522 C GLU A 93 4.958 6.655 0.926 1.00 0.31 C ATOM 1523 O GLU A 93 5.689 5.673 1.049 1.00 0.33 O ATOM 1524 CB GLU A 93 5.731 8.204 -0.881 1.00 0.39 C ATOM 1525 CG GLU A 93 5.923 8.237 -2.386 1.00 0.71 C ATOM 1526 CD GLU A 93 7.256 8.817 -2.792 1.00 1.14 C ATOM 1527 OE1 GLU A 93 7.356 10.051 -2.942 1.00 1.61 O ATOM 1528 OE2 GLU A 93 8.211 8.032 -2.965 1.00 1.63 O ATOM 0 H GLU A 93 3.357 8.873 -0.609 1.00 0.25 H new ATOM 0 HA GLU A 93 4.629 6.409 -1.165 1.00 0.31 H new ATOM 0 HB2 GLU A 93 5.477 9.204 -0.529 1.00 0.39 H new ATOM 0 HB3 GLU A 93 6.672 7.928 -0.405 1.00 0.39 H new ATOM 0 HG2 GLU A 93 5.837 7.225 -2.781 1.00 0.71 H new ATOM 0 HG3 GLU A 93 5.123 8.825 -2.837 1.00 0.71 H new ATOM 1535 N GLU A 94 4.415 7.275 1.957 1.00 0.31 N ATOM 1536 CA GLU A 94 4.467 6.695 3.291 1.00 0.34 C ATOM 1537 C GLU A 94 3.654 5.398 3.310 1.00 0.29 C ATOM 1538 O GLU A 94 4.034 4.412 3.951 1.00 0.29 O ATOM 1539 CB GLU A 94 3.961 7.701 4.326 1.00 0.42 C ATOM 1540 CG GLU A 94 4.784 8.980 4.345 1.00 0.90 C ATOM 1541 CD GLU A 94 4.272 10.008 5.331 1.00 1.40 C ATOM 1542 OE1 GLU A 94 4.659 9.942 6.516 1.00 1.62 O ATOM 1543 OE2 GLU A 94 3.487 10.891 4.931 1.00 2.09 O ATOM 0 H GLU A 94 3.936 8.174 1.900 1.00 0.31 H new ATOM 0 HA GLU A 94 5.498 6.455 3.552 1.00 0.34 H new ATOM 0 HB2 GLU A 94 2.920 7.945 4.112 1.00 0.42 H new ATOM 0 HB3 GLU A 94 3.984 7.243 5.315 1.00 0.42 H new ATOM 0 HG2 GLU A 94 5.817 8.735 4.590 1.00 0.90 H new ATOM 0 HG3 GLU A 94 4.788 9.416 3.346 1.00 0.90 H new ATOM 1550 N VAL A 95 2.550 5.387 2.566 1.00 0.28 N ATOM 1551 CA VAL A 95 1.821 4.148 2.316 1.00 0.26 C ATOM 1552 C VAL A 95 2.698 3.167 1.551 1.00 0.25 C ATOM 1553 O VAL A 95 2.696 1.984 1.843 1.00 0.26 O ATOM 1554 CB VAL A 95 0.512 4.369 1.530 1.00 0.25 C ATOM 1555 CG1 VAL A 95 0.031 3.055 0.924 1.00 0.48 C ATOM 1556 CG2 VAL A 95 -0.553 4.974 2.429 1.00 0.62 C ATOM 0 H VAL A 95 2.144 6.215 2.130 1.00 0.28 H new ATOM 0 HA VAL A 95 1.557 3.744 3.293 1.00 0.26 H new ATOM 0 HB VAL A 95 0.706 5.069 0.718 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -0.893 3.226 0.372 1.00 0.48 H new ATOM 0 HG12 VAL A 95 0.792 2.667 0.247 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -0.149 2.332 1.719 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -1.469 5.123 1.858 1.00 0.62 H new ATOM 0 HG22 VAL A 95 -0.751 4.301 3.263 1.00 0.62 H new ATOM 0 HG23 VAL A 95 -0.204 5.933 2.812 1.00 0.62 H new ATOM 1566 N LYS A 96 3.456 3.667 0.581 1.00 0.26 N ATOM 1567 CA LYS A 96 4.394 2.852 -0.171 1.00 0.30 C ATOM 1568 C LYS A 96 5.366 2.130 0.768 1.00 0.33 C ATOM 1569 O LYS A 96 5.853 1.042 0.464 1.00 0.39 O ATOM 1570 CB LYS A 96 5.147 3.757 -1.135 1.00 0.36 C ATOM 1571 CG LYS A 96 6.088 3.048 -2.077 1.00 0.88 C ATOM 1572 CD LYS A 96 6.933 4.062 -2.817 1.00 1.20 C ATOM 1573 CE LYS A 96 8.001 4.648 -1.906 1.00 1.69 C ATOM 1574 NZ LYS A 96 8.950 5.537 -2.640 1.00 2.00 N ATOM 0 H LYS A 96 3.435 4.646 0.297 1.00 0.26 H new ATOM 0 HA LYS A 96 3.853 2.086 -0.727 1.00 0.30 H new ATOM 0 HB2 LYS A 96 4.421 4.317 -1.725 1.00 0.36 H new ATOM 0 HB3 LYS A 96 5.717 4.484 -0.556 1.00 0.36 H new ATOM 0 HG2 LYS A 96 6.729 2.365 -1.520 1.00 0.88 H new ATOM 0 HG3 LYS A 96 5.521 2.446 -2.787 1.00 0.88 H new ATOM 0 HD2 LYS A 96 7.404 3.589 -3.679 1.00 1.20 H new ATOM 0 HD3 LYS A 96 6.298 4.861 -3.200 1.00 1.20 H new ATOM 0 HE2 LYS A 96 7.522 5.213 -1.106 1.00 1.69 H new ATOM 0 HE3 LYS A 96 8.557 3.838 -1.435 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 9.668 5.898 -1.980 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 9.416 4.998 -3.398 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 8.428 6.335 -3.054 1.00 2.00 H new ATOM 1588 N LYS A 97 5.651 2.751 1.906 1.00 0.33 N ATOM 1589 CA LYS A 97 6.506 2.148 2.912 1.00 0.39 C ATOM 1590 C LYS A 97 5.739 1.042 3.637 1.00 0.35 C ATOM 1591 O LYS A 97 6.319 0.045 4.066 1.00 0.45 O ATOM 1592 CB LYS A 97 6.994 3.228 3.896 1.00 0.49 C ATOM 1593 CG LYS A 97 8.124 2.794 4.832 1.00 1.09 C ATOM 1594 CD LYS A 97 7.608 2.031 6.047 1.00 1.89 C ATOM 1595 CE LYS A 97 8.734 1.669 7.006 1.00 2.76 C ATOM 1596 NZ LYS A 97 9.797 0.866 6.349 1.00 3.43 N ATOM 0 H LYS A 97 5.299 3.676 2.153 1.00 0.33 H new ATOM 0 HA LYS A 97 7.381 1.704 2.437 1.00 0.39 H new ATOM 0 HB2 LYS A 97 7.330 4.093 3.324 1.00 0.49 H new ATOM 0 HB3 LYS A 97 6.148 3.555 4.501 1.00 0.49 H new ATOM 0 HG2 LYS A 97 8.827 2.167 4.283 1.00 1.09 H new ATOM 0 HG3 LYS A 97 8.675 3.674 5.165 1.00 1.09 H new ATOM 0 HD2 LYS A 97 6.867 2.636 6.569 1.00 1.89 H new ATOM 0 HD3 LYS A 97 7.104 1.122 5.719 1.00 1.89 H new ATOM 0 HE2 LYS A 97 9.170 2.582 7.412 1.00 2.76 H new ATOM 0 HE3 LYS A 97 8.326 1.109 7.847 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 10.452 0.501 7.070 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 9.365 0.070 5.839 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 10.320 1.465 5.678 1.00 3.43 H new ATOM 1610 N LEU A 98 4.427 1.218 3.762 1.00 0.30 N ATOM 1611 CA LEU A 98 3.588 0.230 4.436 1.00 0.33 C ATOM 1612 C LEU A 98 3.139 -0.898 3.504 1.00 0.27 C ATOM 1613 O LEU A 98 3.178 -2.065 3.875 1.00 0.35 O ATOM 1614 CB LEU A 98 2.344 0.904 5.021 1.00 0.45 C ATOM 1615 CG LEU A 98 2.593 1.825 6.214 1.00 0.83 C ATOM 1616 CD1 LEU A 98 1.287 2.439 6.691 1.00 1.70 C ATOM 1617 CD2 LEU A 98 3.273 1.065 7.342 1.00 1.29 C ATOM 0 H LEU A 98 3.923 2.031 3.408 1.00 0.30 H new ATOM 0 HA LEU A 98 4.199 -0.206 5.227 1.00 0.33 H new ATOM 0 HB2 LEU A 98 1.861 1.482 4.233 1.00 0.45 H new ATOM 0 HB3 LEU A 98 1.641 0.128 5.324 1.00 0.45 H new ATOM 0 HG LEU A 98 3.256 2.630 5.897 1.00 0.83 H new ATOM 0 HD11 LEU A 98 1.481 3.093 7.541 1.00 1.70 H new ATOM 0 HD12 LEU A 98 0.841 3.018 5.883 1.00 1.70 H new ATOM 0 HD13 LEU A 98 0.601 1.647 6.991 1.00 1.70 H new ATOM 0 HD21 LEU A 98 3.442 1.737 8.183 1.00 1.29 H new ATOM 0 HD22 LEU A 98 2.636 0.239 7.660 1.00 1.29 H new ATOM 0 HD23 LEU A 98 4.228 0.673 6.993 1.00 1.29 H new ATOM 1629 N LEU A 99 2.752 -0.546 2.287 1.00 0.21 N ATOM 1630 CA LEU A 99 2.156 -1.497 1.348 1.00 0.22 C ATOM 1631 C LEU A 99 3.160 -2.525 0.827 1.00 0.25 C ATOM 1632 O LEU A 99 2.848 -3.306 -0.067 1.00 0.43 O ATOM 1633 CB LEU A 99 1.466 -0.779 0.176 1.00 0.36 C ATOM 1634 CG LEU A 99 2.292 0.240 -0.626 1.00 0.38 C ATOM 1635 CD1 LEU A 99 3.453 -0.412 -1.367 1.00 1.29 C ATOM 1636 CD2 LEU A 99 1.394 0.968 -1.612 1.00 1.30 C ATOM 0 H LEU A 99 2.840 0.401 1.919 1.00 0.21 H new ATOM 0 HA LEU A 99 1.401 -2.042 1.914 1.00 0.22 H new ATOM 0 HB2 LEU A 99 1.107 -1.539 -0.518 1.00 0.36 H new ATOM 0 HB3 LEU A 99 0.589 -0.265 0.568 1.00 0.36 H new ATOM 0 HG LEU A 99 2.717 0.949 0.085 1.00 0.38 H new ATOM 0 HD11 LEU A 99 4.006 0.349 -1.918 1.00 1.29 H new ATOM 0 HD12 LEU A 99 4.117 -0.895 -0.650 1.00 1.29 H new ATOM 0 HD13 LEU A 99 3.068 -1.157 -2.063 1.00 1.29 H new ATOM 0 HD21 LEU A 99 1.984 1.689 -2.178 1.00 1.30 H new ATOM 0 HD22 LEU A 99 0.947 0.248 -2.297 1.00 1.30 H new ATOM 0 HD23 LEU A 99 0.606 1.490 -1.069 1.00 1.30 H new ATOM 1648 N VAL A 100 4.365 -2.516 1.361 1.00 0.32 N ATOM 1649 CA VAL A 100 5.349 -3.507 0.985 1.00 0.36 C ATOM 1650 C VAL A 100 5.181 -4.752 1.855 1.00 0.37 C ATOM 1651 O VAL A 100 5.082 -4.657 3.081 1.00 0.45 O ATOM 1652 CB VAL A 100 6.795 -2.956 1.087 1.00 0.48 C ATOM 1653 CG1 VAL A 100 7.132 -2.539 2.509 1.00 1.35 C ATOM 1654 CG2 VAL A 100 7.805 -3.970 0.570 1.00 1.29 C ATOM 0 H VAL A 100 4.684 -1.837 2.052 1.00 0.32 H new ATOM 0 HA VAL A 100 5.183 -3.770 -0.060 1.00 0.36 H new ATOM 0 HB VAL A 100 6.851 -2.068 0.457 1.00 0.48 H new ATOM 0 HG11 VAL A 100 8.153 -2.158 2.544 1.00 1.35 H new ATOM 0 HG12 VAL A 100 6.442 -1.760 2.833 1.00 1.35 H new ATOM 0 HG13 VAL A 100 7.043 -3.400 3.171 1.00 1.35 H new ATOM 0 HG21 VAL A 100 8.810 -3.557 0.653 1.00 1.29 H new ATOM 0 HG22 VAL A 100 7.738 -4.884 1.160 1.00 1.29 H new ATOM 0 HG23 VAL A 100 7.591 -4.196 -0.475 1.00 1.29 H new ATOM 1664 N PRO A 101 5.113 -5.939 1.226 1.00 0.39 N ATOM 1665 CA PRO A 101 4.976 -7.219 1.939 1.00 0.49 C ATOM 1666 C PRO A 101 6.181 -7.518 2.825 1.00 0.65 C ATOM 1667 O PRO A 101 6.175 -8.483 3.589 1.00 0.88 O ATOM 1668 CB PRO A 101 4.877 -8.250 0.809 1.00 0.64 C ATOM 1669 CG PRO A 101 5.508 -7.582 -0.360 1.00 0.60 C ATOM 1670 CD PRO A 101 5.148 -6.133 -0.233 1.00 0.45 C ATOM 0 HA PRO A 101 4.118 -7.220 2.611 1.00 0.49 H new ATOM 0 HB2 PRO A 101 5.396 -9.173 1.067 1.00 0.64 H new ATOM 0 HB3 PRO A 101 3.840 -8.515 0.603 1.00 0.64 H new ATOM 0 HG2 PRO A 101 6.589 -7.720 -0.355 1.00 0.60 H new ATOM 0 HG3 PRO A 101 5.138 -7.998 -1.297 1.00 0.60 H new ATOM 0 HD2 PRO A 101 5.886 -5.488 -0.710 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.186 -5.912 -0.695 1.00 0.45 H new ATOM 1678 N ALA A 102 7.216 -6.691 2.672 1.00 0.68 N ATOM 1679 CA ALA A 102 8.437 -6.753 3.477 1.00 0.92 C ATOM 1680 C ALA A 102 9.334 -7.890 3.021 1.00 1.62 C ATOM 1681 O ALA A 102 10.483 -7.678 2.634 1.00 2.54 O ATOM 1682 CB ALA A 102 8.121 -6.849 4.967 1.00 1.15 C ATOM 0 H ALA A 102 7.230 -5.947 1.974 1.00 0.68 H new ATOM 0 HA ALA A 102 8.982 -5.822 3.324 1.00 0.92 H new ATOM 0 HB1 ALA A 102 9.051 -6.893 5.534 1.00 1.15 H new ATOM 0 HB2 ALA A 102 7.549 -5.973 5.275 1.00 1.15 H new ATOM 0 HB3 ALA A 102 7.537 -7.749 5.158 1.00 1.15 H new ATOM 1688 N ALA A 103 8.795 -9.085 3.055 1.00 1.90 N ATOM 1689 CA ALA A 103 9.483 -10.252 2.551 1.00 2.74 C ATOM 1690 C ALA A 103 9.107 -10.479 1.096 1.00 3.51 C ATOM 1691 O ALA A 103 8.051 -11.040 0.799 1.00 4.17 O ATOM 1692 CB ALA A 103 9.152 -11.478 3.390 1.00 3.15 C ATOM 0 H ALA A 103 7.867 -9.277 3.433 1.00 1.90 H new ATOM 0 HA ALA A 103 10.558 -10.083 2.617 1.00 2.74 H new ATOM 0 HB1 ALA A 103 9.681 -12.344 2.993 1.00 3.15 H new ATOM 0 HB2 ALA A 103 9.460 -11.307 4.422 1.00 3.15 H new ATOM 0 HB3 ALA A 103 8.078 -11.662 3.358 1.00 3.15 H new ATOM 1698 N GLU A 104 9.948 -9.999 0.194 1.00 3.92 N ATOM 1699 CA GLU A 104 9.688 -10.120 -1.227 1.00 5.00 C ATOM 1700 C GLU A 104 11.004 -10.177 -1.992 1.00 5.52 C ATOM 1701 O GLU A 104 11.998 -9.575 -1.577 1.00 5.64 O ATOM 1702 CB GLU A 104 8.836 -8.941 -1.706 1.00 5.60 C ATOM 1703 CG GLU A 104 8.279 -9.120 -3.108 1.00 6.47 C ATOM 1704 CD GLU A 104 8.844 -8.135 -4.108 1.00 7.07 C ATOM 1705 OE1 GLU A 104 9.962 -8.363 -4.607 1.00 7.55 O ATOM 1706 OE2 GLU A 104 8.162 -7.139 -4.413 1.00 7.30 O ATOM 0 H GLU A 104 10.819 -9.521 0.424 1.00 3.92 H new ATOM 0 HA GLU A 104 9.138 -11.042 -1.414 1.00 5.00 H new ATOM 0 HB2 GLU A 104 8.008 -8.796 -1.012 1.00 5.60 H new ATOM 0 HB3 GLU A 104 9.439 -8.033 -1.677 1.00 5.60 H new ATOM 0 HG2 GLU A 104 8.490 -10.134 -3.448 1.00 6.47 H new ATOM 0 HG3 GLU A 104 7.195 -9.014 -3.077 1.00 6.47 H new ATOM 1713 N GLY A 105 11.016 -10.919 -3.086 1.00 6.19 N ATOM 1714 CA GLY A 105 12.209 -11.027 -3.896 1.00 7.00 C ATOM 1715 C GLY A 105 11.882 -11.233 -5.359 1.00 7.89 C ATOM 1716 O GLY A 105 12.499 -12.058 -6.030 1.00 8.70 O ATOM 0 H GLY A 105 10.216 -11.451 -3.429 1.00 6.19 H new ATOM 0 HA2 GLY A 105 12.808 -10.124 -3.782 1.00 7.00 H new ATOM 0 HA3 GLY A 105 12.816 -11.859 -3.539 1.00 7.00 H new ATOM 1720 N GLU A 106 10.921 -10.470 -5.856 1.00 7.96 N ATOM 1721 CA GLU A 106 10.438 -10.634 -7.219 1.00 8.97 C ATOM 1722 C GLU A 106 10.138 -9.290 -7.870 1.00 9.33 C ATOM 1723 O GLU A 106 10.878 -8.813 -8.734 1.00 9.43 O ATOM 1724 CB GLU A 106 9.153 -11.471 -7.234 1.00 9.46 C ATOM 1725 CG GLU A 106 9.330 -12.918 -6.817 1.00 9.55 C ATOM 1726 CD GLU A 106 10.045 -13.741 -7.863 1.00 10.47 C ATOM 1727 OE1 GLU A 106 9.625 -13.708 -9.042 1.00 10.82 O ATOM 1728 OE2 GLU A 106 11.001 -14.459 -7.506 1.00 10.99 O ATOM 0 H GLU A 106 10.458 -9.727 -5.333 1.00 7.96 H new ATOM 0 HA GLU A 106 11.226 -11.138 -7.779 1.00 8.97 H new ATOM 0 HB2 GLU A 106 8.424 -11.004 -6.572 1.00 9.46 H new ATOM 0 HB3 GLU A 106 8.732 -11.446 -8.239 1.00 9.46 H new ATOM 0 HG2 GLU A 106 9.891 -12.957 -5.883 1.00 9.55 H new ATOM 0 HG3 GLU A 106 8.352 -13.358 -6.620 1.00 9.55 H new ATOM 1735 N ASP A 107 9.053 -8.676 -7.420 1.00 9.76 N ATOM 1736 CA ASP A 107 8.476 -7.532 -8.103 1.00 10.43 C ATOM 1737 C ASP A 107 9.262 -6.266 -7.828 1.00 10.48 C ATOM 1738 O ASP A 107 9.734 -5.613 -8.757 1.00 11.15 O ATOM 1739 CB ASP A 107 7.017 -7.359 -7.681 1.00 10.67 C ATOM 1740 CG ASP A 107 6.203 -6.607 -8.712 1.00 11.41 C ATOM 1741 OD1 ASP A 107 6.174 -5.366 -8.667 1.00 11.98 O ATOM 1742 OD2 ASP A 107 5.581 -7.267 -9.576 1.00 11.57 O ATOM 0 H ASP A 107 8.552 -8.956 -6.577 1.00 9.76 H new ATOM 0 HA ASP A 107 8.520 -7.718 -9.176 1.00 10.43 H new ATOM 0 HB2 ASP A 107 6.571 -8.340 -7.515 1.00 10.67 H new ATOM 0 HB3 ASP A 107 6.977 -6.826 -6.731 1.00 10.67 H new ATOM 1747 N SER A 108 9.433 -5.946 -6.557 1.00 9.96 N ATOM 1748 CA SER A 108 10.106 -4.722 -6.149 1.00 10.24 C ATOM 1749 C SER A 108 11.564 -4.714 -6.608 1.00 10.41 C ATOM 1750 O SER A 108 12.152 -3.654 -6.833 1.00 11.07 O ATOM 1751 CB SER A 108 10.013 -4.592 -4.631 1.00 9.88 C ATOM 1752 OG SER A 108 10.335 -3.278 -4.192 1.00 10.00 O ATOM 0 H SER A 108 9.111 -6.524 -5.780 1.00 9.96 H new ATOM 0 HA SER A 108 9.617 -3.869 -6.619 1.00 10.24 H new ATOM 0 HB2 SER A 108 9.004 -4.847 -4.306 1.00 9.88 H new ATOM 0 HB3 SER A 108 10.689 -5.307 -4.163 1.00 9.88 H new ATOM 0 HG SER A 108 9.665 -2.647 -4.529 1.00 10.00 H new ATOM 1758 N LEU A 109 12.134 -5.899 -6.765 1.00 10.02 N ATOM 1759 CA LEU A 109 13.521 -6.024 -7.188 1.00 10.41 C ATOM 1760 C LEU A 109 13.674 -5.788 -8.687 1.00 11.26 C ATOM 1761 O LEU A 109 14.486 -4.974 -9.112 1.00 11.94 O ATOM 1762 CB LEU A 109 14.068 -7.405 -6.832 1.00 10.12 C ATOM 1763 CG LEU A 109 14.109 -7.727 -5.340 1.00 9.48 C ATOM 1764 CD1 LEU A 109 14.680 -9.116 -5.128 1.00 9.47 C ATOM 1765 CD2 LEU A 109 14.933 -6.692 -4.589 1.00 9.65 C ATOM 0 H LEU A 109 11.658 -6.787 -6.606 1.00 10.02 H new ATOM 0 HA LEU A 109 14.091 -5.260 -6.659 1.00 10.41 H new ATOM 0 HB2 LEU A 109 13.460 -8.158 -7.333 1.00 10.12 H new ATOM 0 HB3 LEU A 109 15.078 -7.492 -7.233 1.00 10.12 H new ATOM 0 HG LEU A 109 13.092 -7.699 -4.948 1.00 9.48 H new ATOM 0 HD11 LEU A 109 14.707 -9.340 -4.062 1.00 9.47 H new ATOM 0 HD12 LEU A 109 14.053 -9.849 -5.637 1.00 9.47 H new ATOM 0 HD13 LEU A 109 15.691 -9.160 -5.533 1.00 9.47 H new ATOM 0 HD21 LEU A 109 14.949 -6.940 -3.528 1.00 9.65 H new ATOM 0 HD22 LEU A 109 15.952 -6.687 -4.976 1.00 9.65 H new ATOM 0 HD23 LEU A 109 14.489 -5.706 -4.724 1.00 9.65 H new ATOM 1777 N LYS A 110 12.922 -6.533 -9.480 1.00 11.40 N ATOM 1778 CA LYS A 110 13.052 -6.475 -10.933 1.00 12.34 C ATOM 1779 C LYS A 110 12.151 -5.407 -11.565 1.00 12.93 C ATOM 1780 O LYS A 110 12.632 -4.439 -12.155 1.00 13.70 O ATOM 1781 CB LYS A 110 12.749 -7.849 -11.521 1.00 12.53 C ATOM 1782 CG LYS A 110 13.109 -7.984 -12.989 1.00 12.99 C ATOM 1783 CD LYS A 110 13.052 -9.435 -13.418 1.00 13.18 C ATOM 1784 CE LYS A 110 13.508 -9.622 -14.852 1.00 13.26 C ATOM 1785 NZ LYS A 110 13.638 -11.058 -15.194 1.00 13.83 N ATOM 0 H LYS A 110 12.214 -7.186 -9.145 1.00 11.40 H new ATOM 0 HA LYS A 110 14.078 -6.189 -11.165 1.00 12.34 H new ATOM 0 HB2 LYS A 110 13.293 -8.604 -10.953 1.00 12.53 H new ATOM 0 HB3 LYS A 110 11.687 -8.060 -11.397 1.00 12.53 H new ATOM 0 HG2 LYS A 110 12.422 -7.393 -13.594 1.00 12.99 H new ATOM 0 HG3 LYS A 110 14.109 -7.586 -13.162 1.00 12.99 H new ATOM 0 HD2 LYS A 110 13.679 -10.033 -12.757 1.00 13.18 H new ATOM 0 HD3 LYS A 110 12.032 -9.805 -13.311 1.00 13.18 H new ATOM 0 HE2 LYS A 110 12.795 -9.149 -15.527 1.00 13.26 H new ATOM 0 HE3 LYS A 110 14.466 -9.123 -14.999 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 13.951 -11.153 -16.181 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 14.336 -11.503 -14.565 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 12.718 -11.528 -15.076 1.00 13.83 H new ATOM 1799 N LYS A 111 10.846 -5.594 -11.429 1.00 12.70 N ATOM 1800 CA LYS A 111 9.851 -4.779 -12.128 1.00 13.45 C ATOM 1801 C LYS A 111 9.713 -3.390 -11.504 1.00 13.69 C ATOM 1802 O LYS A 111 9.809 -2.370 -12.188 1.00 14.58 O ATOM 1803 CB LYS A 111 8.508 -5.525 -12.110 1.00 13.35 C ATOM 1804 CG LYS A 111 7.282 -4.648 -12.308 1.00 13.65 C ATOM 1805 CD LYS A 111 6.014 -5.486 -12.320 1.00 14.12 C ATOM 1806 CE LYS A 111 4.788 -4.664 -11.964 1.00 14.42 C ATOM 1807 NZ LYS A 111 4.870 -4.124 -10.582 1.00 14.52 N ATOM 0 H LYS A 111 10.442 -6.315 -10.831 1.00 12.70 H new ATOM 0 HA LYS A 111 10.177 -4.626 -13.157 1.00 13.45 H new ATOM 0 HB2 LYS A 111 8.522 -6.286 -12.891 1.00 13.35 H new ATOM 0 HB3 LYS A 111 8.412 -6.047 -11.158 1.00 13.35 H new ATOM 0 HG2 LYS A 111 7.226 -3.908 -11.510 1.00 13.65 H new ATOM 0 HG3 LYS A 111 7.369 -4.100 -13.246 1.00 13.65 H new ATOM 0 HD2 LYS A 111 5.880 -5.928 -13.307 1.00 14.12 H new ATOM 0 HD3 LYS A 111 6.117 -6.310 -11.613 1.00 14.12 H new ATOM 0 HE2 LYS A 111 4.684 -3.841 -12.671 1.00 14.42 H new ATOM 0 HE3 LYS A 111 3.895 -5.282 -12.061 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 3.926 -4.140 -10.146 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 5.521 -4.708 -10.019 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 5.221 -3.145 -10.612 1.00 14.52 H new ATOM 1821 N MET A 112 9.516 -3.373 -10.202 1.00 13.03 N ATOM 1822 CA MET A 112 9.289 -2.146 -9.448 1.00 13.43 C ATOM 1823 C MET A 112 10.549 -1.281 -9.386 1.00 13.93 C ATOM 1824 O MET A 112 10.485 -0.080 -9.116 1.00 14.71 O ATOM 1825 CB MET A 112 8.809 -2.502 -8.045 1.00 12.78 C ATOM 1826 CG MET A 112 8.477 -1.302 -7.190 1.00 12.65 C ATOM 1827 SD MET A 112 7.896 -1.749 -5.543 1.00 12.08 S ATOM 1828 CE MET A 112 6.437 -2.705 -5.949 1.00 12.60 C ATOM 0 H MET A 112 9.508 -4.216 -9.627 1.00 13.03 H new ATOM 0 HA MET A 112 8.524 -1.560 -9.958 1.00 13.43 H new ATOM 0 HB2 MET A 112 7.926 -3.136 -8.124 1.00 12.78 H new ATOM 0 HB3 MET A 112 9.580 -3.090 -7.546 1.00 12.78 H new ATOM 0 HG2 MET A 112 9.362 -0.672 -7.098 1.00 12.65 H new ATOM 0 HG3 MET A 112 7.713 -0.707 -7.690 1.00 12.65 H new ATOM 0 HE1 MET A 112 5.771 -2.737 -5.086 1.00 12.60 H new ATOM 0 HE2 MET A 112 5.920 -2.241 -6.789 1.00 12.60 H new ATOM 0 HE3 MET A 112 6.730 -3.720 -6.219 1.00 12.60 H new ATOM 1838 N LYS A 113 11.686 -1.901 -9.672 1.00 13.65 N ATOM 1839 CA LYS A 113 12.994 -1.273 -9.507 1.00 14.28 C ATOM 1840 C LYS A 113 13.132 0.008 -10.318 1.00 15.23 C ATOM 1841 O LYS A 113 13.768 0.963 -9.876 1.00 16.03 O ATOM 1842 CB LYS A 113 14.071 -2.251 -9.976 1.00 13.94 C ATOM 1843 CG LYS A 113 15.498 -1.738 -9.867 1.00 14.60 C ATOM 1844 CD LYS A 113 16.129 -2.113 -8.539 1.00 15.23 C ATOM 1845 CE LYS A 113 15.615 -1.266 -7.388 1.00 16.15 C ATOM 1846 NZ LYS A 113 16.050 -1.823 -6.077 1.00 16.72 N ATOM 0 H LYS A 113 11.729 -2.857 -10.026 1.00 13.65 H new ATOM 0 HA LYS A 113 13.105 -1.020 -8.453 1.00 14.28 H new ATOM 0 HB2 LYS A 113 13.985 -3.168 -9.394 1.00 13.94 H new ATOM 0 HB3 LYS A 113 13.874 -2.514 -11.015 1.00 13.94 H new ATOM 0 HG2 LYS A 113 16.095 -2.147 -10.682 1.00 14.60 H new ATOM 0 HG3 LYS A 113 15.505 -0.654 -9.980 1.00 14.60 H new ATOM 0 HD2 LYS A 113 15.929 -3.164 -8.330 1.00 15.23 H new ATOM 0 HD3 LYS A 113 17.211 -2.003 -8.611 1.00 15.23 H new ATOM 0 HE2 LYS A 113 15.981 -0.245 -7.492 1.00 16.15 H new ATOM 0 HE3 LYS A 113 14.527 -1.220 -7.424 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 15.992 -1.083 -5.349 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 15.431 -2.616 -5.814 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 17.031 -2.159 -6.151 1.00 16.72 H new ATOM 1860 N LEU A 114 12.523 0.033 -11.488 1.00 15.27 N ATOM 1861 CA LEU A 114 12.761 1.110 -12.426 1.00 16.25 C ATOM 1862 C LEU A 114 11.941 2.348 -12.088 1.00 16.89 C ATOM 1863 O LEU A 114 12.486 3.392 -11.730 1.00 17.72 O ATOM 1864 CB LEU A 114 12.445 0.637 -13.845 1.00 16.24 C ATOM 1865 CG LEU A 114 13.187 -0.626 -14.281 1.00 16.63 C ATOM 1866 CD1 LEU A 114 12.673 -1.109 -15.626 1.00 17.08 C ATOM 1867 CD2 LEU A 114 14.684 -0.369 -14.343 1.00 16.95 C ATOM 0 H LEU A 114 11.864 -0.676 -11.809 1.00 15.27 H new ATOM 0 HA LEU A 114 13.813 1.388 -12.358 1.00 16.25 H new ATOM 0 HB2 LEU A 114 11.373 0.456 -13.922 1.00 16.24 H new ATOM 0 HB3 LEU A 114 12.684 1.440 -14.542 1.00 16.24 H new ATOM 0 HG LEU A 114 13.002 -1.406 -13.543 1.00 16.63 H new ATOM 0 HD11 LEU A 114 13.213 -2.009 -15.920 1.00 17.08 H new ATOM 0 HD12 LEU A 114 11.609 -1.333 -15.550 1.00 17.08 H new ATOM 0 HD13 LEU A 114 12.828 -0.332 -16.375 1.00 17.08 H new ATOM 0 HD21 LEU A 114 15.197 -1.279 -14.655 1.00 16.95 H new ATOM 0 HD22 LEU A 114 14.887 0.426 -15.060 1.00 16.95 H new ATOM 0 HD23 LEU A 114 15.043 -0.070 -13.358 1.00 16.95 H new ATOM 1879 N MET A 115 10.629 2.228 -12.196 1.00 16.60 N ATOM 1880 CA MET A 115 9.747 3.373 -12.005 1.00 17.37 C ATOM 1881 C MET A 115 9.177 3.437 -10.592 1.00 17.30 C ATOM 1882 O MET A 115 9.287 4.453 -9.905 1.00 18.16 O ATOM 1883 CB MET A 115 8.590 3.305 -13.003 1.00 17.40 C ATOM 1884 CG MET A 115 7.555 4.401 -12.803 1.00 18.36 C ATOM 1885 SD MET A 115 5.997 4.035 -13.630 1.00 18.37 S ATOM 1886 CE MET A 115 5.533 2.515 -12.796 1.00 17.17 C ATOM 0 H MET A 115 10.150 1.354 -12.414 1.00 16.60 H new ATOM 0 HA MET A 115 10.345 4.270 -12.168 1.00 17.37 H new ATOM 0 HB2 MET A 115 8.989 3.372 -14.015 1.00 17.40 H new ATOM 0 HB3 MET A 115 8.102 2.334 -12.916 1.00 17.40 H new ATOM 0 HG2 MET A 115 7.374 4.536 -11.737 1.00 18.36 H new ATOM 0 HG3 MET A 115 7.951 5.344 -13.181 1.00 18.36 H new ATOM 0 HE1 MET A 115 4.460 2.354 -12.903 1.00 17.17 H new ATOM 0 HE2 MET A 115 6.071 1.678 -13.240 1.00 17.17 H new ATOM 0 HE3 MET A 115 5.785 2.589 -11.738 1.00 17.17 H new ATOM 1896 N GLU A 116 8.593 2.331 -10.164 1.00 16.38 N ATOM 1897 CA GLU A 116 7.686 2.322 -9.024 1.00 16.41 C ATOM 1898 C GLU A 116 8.393 2.426 -7.677 1.00 16.77 C ATOM 1899 O GLU A 116 7.746 2.650 -6.655 1.00 17.19 O ATOM 1900 CB GLU A 116 6.788 1.092 -9.082 1.00 15.41 C ATOM 1901 CG GLU A 116 7.055 0.217 -10.290 1.00 15.12 C ATOM 1902 CD GLU A 116 5.982 -0.818 -10.519 1.00 15.91 C ATOM 1903 OE1 GLU A 116 4.886 -0.454 -10.999 1.00 16.29 O ATOM 1904 OE2 GLU A 116 6.234 -1.997 -10.237 1.00 16.27 O ATOM 0 H GLU A 116 8.732 1.416 -10.593 1.00 16.38 H new ATOM 0 HA GLU A 116 7.076 3.222 -9.101 1.00 16.41 H new ATOM 0 HB2 GLU A 116 6.930 0.503 -8.176 1.00 15.41 H new ATOM 0 HB3 GLU A 116 5.746 1.411 -9.095 1.00 15.41 H new ATOM 0 HG2 GLU A 116 7.139 0.847 -11.176 1.00 15.12 H new ATOM 0 HG3 GLU A 116 8.014 -0.285 -10.163 1.00 15.12 H new ATOM 1911 N LEU A 117 9.710 2.269 -7.660 1.00 16.72 N ATOM 1912 CA LEU A 117 10.460 2.466 -6.428 1.00 17.21 C ATOM 1913 C LEU A 117 10.371 3.925 -5.999 1.00 18.39 C ATOM 1914 O LEU A 117 10.490 4.244 -4.812 1.00 18.98 O ATOM 1915 CB LEU A 117 11.941 2.091 -6.601 1.00 17.03 C ATOM 1916 CG LEU A 117 12.345 0.655 -6.231 1.00 17.18 C ATOM 1917 CD1 LEU A 117 13.664 0.677 -5.481 1.00 18.26 C ATOM 1918 CD2 LEU A 117 11.275 -0.027 -5.391 1.00 16.60 C ATOM 0 H LEU A 117 10.273 2.010 -8.470 1.00 16.72 H new ATOM 0 HA LEU A 117 10.023 1.817 -5.669 1.00 17.21 H new ATOM 0 HB2 LEU A 117 12.214 2.262 -7.642 1.00 17.03 H new ATOM 0 HB3 LEU A 117 12.537 2.776 -5.998 1.00 17.03 H new ATOM 0 HG LEU A 117 12.456 0.083 -7.152 1.00 17.18 H new ATOM 0 HD11 LEU A 117 13.950 -0.341 -5.219 1.00 18.26 H new ATOM 0 HD12 LEU A 117 14.434 1.119 -6.113 1.00 18.26 H new ATOM 0 HD13 LEU A 117 13.556 1.269 -4.572 1.00 18.26 H new ATOM 0 HD21 LEU A 117 11.594 -1.040 -5.148 1.00 16.60 H new ATOM 0 HD22 LEU A 117 11.122 0.536 -4.470 1.00 16.60 H new ATOM 0 HD23 LEU A 117 10.341 -0.066 -5.952 1.00 16.60 H new ATOM 1930 N ALA A 118 10.140 4.798 -6.994 1.00 18.81 N ATOM 1931 CA ALA A 118 10.285 6.248 -6.836 1.00 19.94 C ATOM 1932 C ALA A 118 11.744 6.570 -6.571 1.00 20.25 C ATOM 1933 O ALA A 118 12.105 7.691 -6.208 1.00 20.88 O ATOM 1934 CB ALA A 118 9.392 6.785 -5.726 1.00 20.42 C ATOM 0 H ALA A 118 9.848 4.514 -7.929 1.00 18.81 H new ATOM 0 HA ALA A 118 9.966 6.738 -7.756 1.00 19.94 H new ATOM 0 HB1 ALA A 118 9.528 7.863 -5.639 1.00 20.42 H new ATOM 0 HB2 ALA A 118 8.350 6.568 -5.960 1.00 20.42 H new ATOM 0 HB3 ALA A 118 9.658 6.309 -4.782 1.00 20.42 H new ATOM 1940 N ILE A 119 12.569 5.547 -6.808 1.00 19.90 N ATOM 1941 CA ILE A 119 14.003 5.558 -6.558 1.00 20.25 C ATOM 1942 C ILE A 119 14.310 5.701 -5.064 1.00 21.12 C ATOM 1943 O ILE A 119 14.901 4.804 -4.458 1.00 21.13 O ATOM 1944 CB ILE A 119 14.744 6.642 -7.365 1.00 20.40 C ATOM 1945 CG1 ILE A 119 14.144 6.779 -8.771 1.00 20.16 C ATOM 1946 CG2 ILE A 119 16.206 6.250 -7.462 1.00 20.03 C ATOM 1947 CD1 ILE A 119 14.764 7.886 -9.600 1.00 20.59 C ATOM 0 H ILE A 119 12.241 4.661 -7.192 1.00 19.90 H new ATOM 0 HA ILE A 119 14.375 4.592 -6.901 1.00 20.25 H new ATOM 0 HB ILE A 119 14.642 7.604 -6.862 1.00 20.40 H new ATOM 0 HG12 ILE A 119 14.263 5.833 -9.299 1.00 20.16 H new ATOM 0 HG13 ILE A 119 13.073 6.962 -8.682 1.00 20.16 H new ATOM 0 HG21 ILE A 119 16.748 7.006 -8.030 1.00 20.03 H new ATOM 0 HG22 ILE A 119 16.630 6.175 -6.461 1.00 20.03 H new ATOM 0 HG23 ILE A 119 16.292 5.287 -7.965 1.00 20.03 H new ATOM 0 HD11 ILE A 119 14.286 7.918 -10.579 1.00 20.59 H new ATOM 0 HD12 ILE A 119 14.622 8.842 -9.095 1.00 20.59 H new ATOM 0 HD13 ILE A 119 15.830 7.695 -9.723 1.00 20.59 H new ATOM 1959 N LEU A 120 13.888 6.808 -4.469 1.00 21.92 N ATOM 1960 CA LEU A 120 14.114 7.047 -3.053 1.00 22.85 C ATOM 1961 C LEU A 120 13.224 6.149 -2.208 1.00 23.12 C ATOM 1962 O LEU A 120 12.006 6.083 -2.406 1.00 23.32 O ATOM 1963 CB LEU A 120 13.876 8.516 -2.685 1.00 23.66 C ATOM 1964 CG LEU A 120 14.964 9.503 -3.132 1.00 23.95 C ATOM 1965 CD1 LEU A 120 16.342 9.013 -2.712 1.00 23.98 C ATOM 1966 CD2 LEU A 120 14.910 9.732 -4.634 1.00 23.52 C ATOM 0 H LEU A 120 13.386 7.556 -4.948 1.00 21.92 H new ATOM 0 HA LEU A 120 15.157 6.810 -2.845 1.00 22.85 H new ATOM 0 HB2 LEU A 120 12.927 8.830 -3.119 1.00 23.66 H new ATOM 0 HB3 LEU A 120 13.770 8.587 -1.602 1.00 23.66 H new ATOM 0 HG LEU A 120 14.775 10.457 -2.639 1.00 23.95 H new ATOM 0 HD11 LEU A 120 17.097 9.727 -3.039 1.00 23.98 H new ATOM 0 HD12 LEU A 120 16.379 8.917 -1.627 1.00 23.98 H new ATOM 0 HD13 LEU A 120 16.538 8.043 -3.169 1.00 23.98 H new ATOM 0 HD21 LEU A 120 15.691 10.435 -4.923 1.00 23.52 H new ATOM 0 HD22 LEU A 120 15.064 8.785 -5.152 1.00 23.52 H new ATOM 0 HD23 LEU A 120 13.936 10.140 -4.905 1.00 23.52 H new ATOM 1978 N ASN A 121 13.847 5.458 -1.270 1.00 23.21 N ATOM 1979 CA ASN A 121 13.151 4.532 -0.390 1.00 23.56 C ATOM 1980 C ASN A 121 14.051 4.189 0.792 1.00 24.31 C ATOM 1981 O ASN A 121 15.039 4.887 1.035 1.00 24.76 O ATOM 1982 CB ASN A 121 12.741 3.264 -1.161 1.00 23.18 C ATOM 1983 CG ASN A 121 13.908 2.350 -1.496 1.00 23.09 C ATOM 1984 OD1 ASN A 121 14.207 1.413 -0.758 1.00 23.47 O ATOM 1985 ND2 ASN A 121 14.583 2.618 -2.603 1.00 22.69 N ATOM 0 H ASN A 121 14.850 5.522 -1.096 1.00 23.21 H new ATOM 0 HA ASN A 121 12.241 4.999 -0.015 1.00 23.56 H new ATOM 0 HB2 ASN A 121 12.014 2.708 -0.569 1.00 23.18 H new ATOM 0 HB3 ASN A 121 12.243 3.556 -2.085 1.00 23.18 H new ATOM 0 HD21 ASN A 121 15.380 2.039 -2.867 1.00 22.69 H new ATOM 0 HD22 ASN A 121 14.306 3.404 -3.191 1.00 22.69 H new ATOM 1992 N GLY A 122 13.709 3.132 1.522 1.00 24.55 N ATOM 1993 CA GLY A 122 14.502 2.712 2.665 1.00 25.33 C ATOM 1994 C GLY A 122 15.955 2.420 2.318 1.00 25.47 C ATOM 1995 O GLY A 122 16.844 2.644 3.141 1.00 26.12 O ATOM 0 H GLY A 122 12.889 2.553 1.340 1.00 24.55 H new ATOM 0 HA2 GLY A 122 14.468 3.490 3.427 1.00 25.33 H new ATOM 0 HA3 GLY A 122 14.054 1.819 3.101 1.00 25.33 H new ATOM 1999 N THR A 123 16.195 1.918 1.108 1.00 24.93 N ATOM 2000 CA THR A 123 17.546 1.627 0.647 1.00 25.12 C ATOM 2001 C THR A 123 18.357 2.918 0.516 1.00 25.36 C ATOM 2002 O THR A 123 19.348 3.122 1.219 1.00 25.90 O ATOM 2003 CB THR A 123 17.526 0.903 -0.716 1.00 24.51 C ATOM 2004 OG1 THR A 123 16.635 -0.220 -0.667 1.00 24.32 O ATOM 2005 CG2 THR A 123 18.919 0.427 -1.102 1.00 24.86 C ATOM 0 H THR A 123 15.465 1.704 0.428 1.00 24.93 H new ATOM 0 HA THR A 123 18.011 0.976 1.387 1.00 25.12 H new ATOM 0 HB THR A 123 17.178 1.612 -1.467 1.00 24.51 H new ATOM 0 HG1 THR A 123 15.708 0.095 -0.718 1.00 24.32 H new ATOM 0 HG21 THR A 123 18.876 -0.080 -2.066 1.00 24.86 H new ATOM 0 HG22 THR A 123 19.590 1.283 -1.171 1.00 24.86 H new ATOM 0 HG23 THR A 123 19.290 -0.264 -0.345 1.00 24.86 H new ATOM 2013 N TYR A 124 17.915 3.794 -0.377 1.00 25.05 N ATOM 2014 CA TYR A 124 18.580 5.071 -0.586 1.00 25.37 C ATOM 2015 C TYR A 124 17.979 6.124 0.324 1.00 25.65 C ATOM 2016 O TYR A 124 17.447 7.137 -0.127 1.00 25.59 O ATOM 2017 CB TYR A 124 18.490 5.494 -2.054 1.00 25.19 C ATOM 2018 CG TYR A 124 19.343 4.640 -2.963 1.00 25.19 C ATOM 2019 CD1 TYR A 124 18.867 3.437 -3.467 1.00 25.09 C ATOM 2020 CD2 TYR A 124 20.634 5.027 -3.296 1.00 25.38 C ATOM 2021 CE1 TYR A 124 19.653 2.643 -4.277 1.00 25.20 C ATOM 2022 CE2 TYR A 124 21.426 4.241 -4.110 1.00 25.49 C ATOM 2023 CZ TYR A 124 20.932 3.049 -4.595 1.00 25.41 C ATOM 2024 OH TYR A 124 21.724 2.257 -5.397 1.00 25.62 O ATOM 0 H TYR A 124 17.098 3.642 -0.968 1.00 25.05 H new ATOM 0 HA TYR A 124 19.636 4.963 -0.337 1.00 25.37 H new ATOM 0 HB2 TYR A 124 17.451 5.439 -2.380 1.00 25.19 H new ATOM 0 HB3 TYR A 124 18.798 6.535 -2.147 1.00 25.19 H new ATOM 0 HD1 TYR A 124 17.865 3.117 -3.221 1.00 25.09 H new ATOM 0 HD2 TYR A 124 21.025 5.958 -2.912 1.00 25.38 H new ATOM 0 HE1 TYR A 124 19.269 1.709 -4.660 1.00 25.20 H new ATOM 0 HE2 TYR A 124 22.426 4.558 -4.365 1.00 25.49 H new ATOM 0 HH TYR A 124 22.595 2.688 -5.525 1.00 25.62 H new ATOM 2034 N ARG A 125 18.074 5.860 1.618 1.00 26.04 N ATOM 2035 CA ARG A 125 17.556 6.755 2.636 1.00 26.48 C ATOM 2036 C ARG A 125 18.470 7.963 2.761 1.00 26.87 C ATOM 2037 O ARG A 125 18.093 8.996 3.317 1.00 27.16 O ATOM 2038 CB ARG A 125 17.481 6.010 3.966 1.00 27.04 C ATOM 2039 CG ARG A 125 16.322 6.421 4.855 1.00 27.29 C ATOM 2040 CD ARG A 125 16.244 5.523 6.080 1.00 27.33 C ATOM 2041 NE ARG A 125 16.350 4.109 5.712 1.00 27.77 N ATOM 2042 CZ ARG A 125 16.213 3.098 6.566 1.00 27.96 C ATOM 2043 NH1 ARG A 125 15.882 3.322 7.831 1.00 27.74 N ATOM 2044 NH2 ARG A 125 16.391 1.850 6.146 1.00 28.45 N ATOM 0 H ARG A 125 18.513 5.018 1.990 1.00 26.04 H new ATOM 0 HA ARG A 125 16.558 7.095 2.359 1.00 26.48 H new ATOM 0 HB2 ARG A 125 17.407 4.941 3.765 1.00 27.04 H new ATOM 0 HB3 ARG A 125 18.413 6.168 4.509 1.00 27.04 H new ATOM 0 HG2 ARG A 125 16.444 7.459 5.165 1.00 27.29 H new ATOM 0 HG3 ARG A 125 15.389 6.364 4.295 1.00 27.29 H new ATOM 0 HD2 ARG A 125 17.044 5.781 6.774 1.00 27.33 H new ATOM 0 HD3 ARG A 125 15.302 5.696 6.601 1.00 27.33 H new ATOM 0 HE ARG A 125 16.542 3.884 4.736 1.00 27.77 H new ATOM 0 HH11 ARG A 125 15.730 4.276 8.157 1.00 27.74 H new ATOM 0 HH12 ARG A 125 15.780 2.540 8.478 1.00 27.74 H new ATOM 0 HH21 ARG A 125 16.632 1.669 5.171 1.00 28.45 H new ATOM 0 HH22 ARG A 125 16.287 1.073 6.798 1.00 28.45 H new ATOM 2058 N ASP A 126 19.668 7.810 2.211 1.00 26.97 N ATOM 2059 CA ASP A 126 20.700 8.821 2.250 1.00 27.44 C ATOM 2060 C ASP A 126 20.235 10.131 1.631 1.00 27.02 C ATOM 2061 O ASP A 126 20.346 11.189 2.246 1.00 27.36 O ATOM 2062 CB ASP A 126 21.925 8.302 1.503 1.00 27.72 C ATOM 2063 CG ASP A 126 22.621 7.162 2.219 1.00 27.85 C ATOM 2064 OD1 ASP A 126 22.145 6.008 2.118 1.00 27.59 O ATOM 2065 OD2 ASP A 126 23.657 7.412 2.872 1.00 28.27 O ATOM 0 H ASP A 126 19.948 6.962 1.718 1.00 26.97 H new ATOM 0 HA ASP A 126 20.945 9.023 3.293 1.00 27.44 H new ATOM 0 HB2 ASP A 126 21.623 7.969 0.510 1.00 27.72 H new ATOM 0 HB3 ASP A 126 22.631 9.120 1.363 1.00 27.72 H new ATOM 2070 N ALA A 127 19.726 10.058 0.409 1.00 26.35 N ATOM 2071 CA ALA A 127 19.238 11.241 -0.277 1.00 25.95 C ATOM 2072 C ALA A 127 17.738 11.405 -0.078 1.00 25.77 C ATOM 2073 O ALA A 127 17.152 12.414 -0.475 1.00 25.47 O ATOM 2074 CB ALA A 127 19.576 11.179 -1.757 1.00 25.25 C ATOM 0 H ALA A 127 19.641 9.193 -0.125 1.00 26.35 H new ATOM 0 HA ALA A 127 19.734 12.110 0.154 1.00 25.95 H new ATOM 0 HB1 ALA A 127 19.202 12.074 -2.253 1.00 25.25 H new ATOM 0 HB2 ALA A 127 20.657 11.120 -1.881 1.00 25.25 H new ATOM 0 HB3 ALA A 127 19.112 10.298 -2.200 1.00 25.25 H new ATOM 2080 N ASN A 128 17.125 10.406 0.540 1.00 26.04 N ATOM 2081 CA ASN A 128 15.696 10.439 0.821 1.00 26.08 C ATOM 2082 C ASN A 128 15.418 11.425 1.946 1.00 26.74 C ATOM 2083 O ASN A 128 14.531 12.272 1.848 1.00 26.73 O ATOM 2084 CB ASN A 128 15.204 9.041 1.201 1.00 26.34 C ATOM 2085 CG ASN A 128 13.689 8.947 1.259 1.00 26.63 C ATOM 2086 OD1 ASN A 128 12.980 9.694 0.587 1.00 26.61 O ATOM 2087 ND2 ASN A 128 13.182 8.020 2.060 1.00 27.01 N ATOM 0 H ASN A 128 17.597 9.559 0.858 1.00 26.04 H new ATOM 0 HA ASN A 128 15.161 10.763 -0.072 1.00 26.08 H new ATOM 0 HB2 ASN A 128 15.581 8.319 0.477 1.00 26.34 H new ATOM 0 HB3 ASN A 128 15.618 8.766 2.171 1.00 26.34 H new ATOM 0 HD21 ASN A 128 12.171 7.908 2.134 1.00 27.01 H new ATOM 0 HD22 ASN A 128 13.803 7.419 2.602 1.00 27.01 H new ATOM 2094 N LEU A 129 16.193 11.308 3.010 1.00 27.38 N ATOM 2095 CA LEU A 129 16.156 12.272 4.094 1.00 28.13 C ATOM 2096 C LEU A 129 17.442 13.078 4.063 1.00 28.06 C ATOM 2097 O LEU A 129 18.245 12.929 3.144 1.00 28.19 O ATOM 2098 CB LEU A 129 16.003 11.582 5.458 1.00 28.95 C ATOM 2099 CG LEU A 129 14.605 11.040 5.798 1.00 29.65 C ATOM 2100 CD1 LEU A 129 13.545 12.114 5.598 1.00 30.01 C ATOM 2101 CD2 LEU A 129 14.279 9.796 4.982 1.00 30.08 C ATOM 0 H LEU A 129 16.860 10.549 3.146 1.00 27.38 H new ATOM 0 HA LEU A 129 15.292 12.923 3.959 1.00 28.13 H new ATOM 0 HB2 LEU A 129 16.710 10.754 5.503 1.00 28.95 H new ATOM 0 HB3 LEU A 129 16.292 12.291 6.234 1.00 28.95 H new ATOM 0 HG LEU A 129 14.606 10.754 6.850 1.00 29.65 H new ATOM 0 HD11 LEU A 129 12.564 11.708 5.845 1.00 30.01 H new ATOM 0 HD12 LEU A 129 13.760 12.963 6.247 1.00 30.01 H new ATOM 0 HD13 LEU A 129 13.551 12.442 4.559 1.00 30.01 H new ATOM 0 HD21 LEU A 129 13.284 9.438 5.246 1.00 30.08 H new ATOM 0 HD22 LEU A 129 14.307 10.040 3.920 1.00 30.08 H new ATOM 0 HD23 LEU A 129 15.013 9.019 5.195 1.00 30.08 H new ATOM 2113 N LYS A 130 17.638 13.937 5.044 1.00 27.93 N ATOM 2114 CA LYS A 130 18.884 14.669 5.152 1.00 27.96 C ATOM 2115 C LYS A 130 19.899 13.856 5.945 1.00 28.18 C ATOM 2116 O LYS A 130 21.099 14.126 5.915 1.00 28.19 O ATOM 2117 CB LYS A 130 18.658 16.036 5.801 1.00 27.75 C ATOM 2118 CG LYS A 130 17.996 15.976 7.167 1.00 27.52 C ATOM 2119 CD LYS A 130 17.770 17.366 7.749 1.00 27.65 C ATOM 2120 CE LYS A 130 16.531 18.052 7.175 1.00 28.04 C ATOM 2121 NZ LYS A 130 16.617 18.299 5.708 1.00 28.17 N ATOM 0 H LYS A 130 16.955 14.144 5.773 1.00 27.93 H new ATOM 0 HA LYS A 130 19.277 14.837 4.149 1.00 27.96 H new ATOM 0 HB2 LYS A 130 19.618 16.543 5.897 1.00 27.75 H new ATOM 0 HB3 LYS A 130 18.042 16.643 5.138 1.00 27.75 H new ATOM 0 HG2 LYS A 130 17.041 15.457 7.085 1.00 27.52 H new ATOM 0 HG3 LYS A 130 18.618 15.394 7.847 1.00 27.52 H new ATOM 0 HD2 LYS A 130 17.669 17.290 8.832 1.00 27.65 H new ATOM 0 HD3 LYS A 130 18.646 17.984 7.553 1.00 27.65 H new ATOM 0 HE2 LYS A 130 15.656 17.436 7.381 1.00 28.04 H new ATOM 0 HE3 LYS A 130 16.381 19.002 7.688 1.00 28.04 H new ATOM 0 HZ1 LYS A 130 16.041 19.129 5.461 1.00 28.17 H new ATOM 0 HZ2 LYS A 130 17.607 18.474 5.443 1.00 28.17 H new ATOM 0 HZ3 LYS A 130 16.263 17.467 5.195 1.00 28.17 H new ATOM 2135 N SER A 131 19.398 12.863 6.665 1.00 28.45 N ATOM 2136 CA SER A 131 20.234 11.938 7.409 1.00 28.77 C ATOM 2137 C SER A 131 19.506 10.606 7.564 1.00 28.91 C ATOM 2138 O SER A 131 18.313 10.582 7.865 1.00 29.19 O ATOM 2139 CB SER A 131 20.580 12.515 8.788 1.00 29.25 C ATOM 2140 OG SER A 131 21.256 13.758 8.667 1.00 29.23 O ATOM 0 H SER A 131 18.399 12.677 6.749 1.00 28.45 H new ATOM 0 HA SER A 131 21.163 11.781 6.861 1.00 28.77 H new ATOM 0 HB2 SER A 131 19.668 12.649 9.369 1.00 29.25 H new ATOM 0 HB3 SER A 131 21.205 11.809 9.335 1.00 29.25 H new ATOM 0 HG SER A 131 21.464 14.106 9.559 1.00 29.23 H new ATOM 2146 N PRO A 132 20.204 9.479 7.350 1.00 28.80 N ATOM 2147 CA PRO A 132 19.626 8.136 7.482 1.00 29.01 C ATOM 2148 C PRO A 132 19.417 7.732 8.944 1.00 29.52 C ATOM 2149 O PRO A 132 19.580 6.567 9.308 1.00 29.70 O ATOM 2150 CB PRO A 132 20.670 7.220 6.820 1.00 28.82 C ATOM 2151 CG PRO A 132 21.658 8.132 6.168 1.00 28.49 C ATOM 2152 CD PRO A 132 21.610 9.413 6.943 1.00 28.57 C ATOM 0 HA PRO A 132 18.639 8.077 7.023 1.00 29.01 H new ATOM 0 HB2 PRO A 132 21.155 6.582 7.559 1.00 28.82 H new ATOM 0 HB3 PRO A 132 20.204 6.561 6.088 1.00 28.82 H new ATOM 0 HG2 PRO A 132 22.659 7.701 6.188 1.00 28.49 H new ATOM 0 HG3 PRO A 132 21.403 8.299 5.121 1.00 28.49 H new ATOM 0 HD2 PRO A 132 22.281 9.394 7.801 1.00 28.57 H new ATOM 0 HD3 PRO A 132 21.897 10.269 6.332 1.00 28.57 H new ATOM 2160 N ALA A 133 19.028 8.695 9.769 1.00 29.82 N ATOM 2161 CA ALA A 133 18.817 8.455 11.187 1.00 30.39 C ATOM 2162 C ALA A 133 17.399 7.960 11.442 1.00 30.54 C ATOM 2163 O ALA A 133 17.064 7.537 12.547 1.00 30.82 O ATOM 2164 CB ALA A 133 19.097 9.721 11.985 1.00 30.73 C ATOM 0 H ALA A 133 18.852 9.656 9.476 1.00 29.82 H new ATOM 0 HA ALA A 133 19.511 7.681 11.514 1.00 30.39 H new ATOM 0 HB1 ALA A 133 18.935 9.526 13.045 1.00 30.73 H new ATOM 0 HB2 ALA A 133 20.130 10.030 11.827 1.00 30.73 H new ATOM 0 HB3 ALA A 133 18.427 10.515 11.655 1.00 30.73 H new ATOM 2170 N LEU A 134 16.573 8.021 10.408 1.00 30.43 N ATOM 2171 CA LEU A 134 15.207 7.530 10.484 1.00 30.66 C ATOM 2172 C LEU A 134 14.920 6.609 9.299 1.00 30.82 C ATOM 2173 O LEU A 134 15.184 5.394 9.421 1.00 31.05 O ATOM 2174 CB LEU A 134 14.189 8.689 10.548 1.00 30.92 C ATOM 2175 CG LEU A 134 14.233 9.714 9.402 1.00 30.78 C ATOM 2176 CD1 LEU A 134 12.917 10.468 9.321 1.00 31.20 C ATOM 2177 CD2 LEU A 134 15.378 10.698 9.593 1.00 30.60 C ATOM 0 H LEU A 134 16.829 8.409 9.500 1.00 30.43 H new ATOM 0 HA LEU A 134 15.098 6.960 11.407 1.00 30.66 H new ATOM 0 HB2 LEU A 134 13.187 8.260 10.582 1.00 30.92 H new ATOM 0 HB3 LEU A 134 14.340 9.222 11.487 1.00 30.92 H new ATOM 0 HG LEU A 134 14.395 9.171 8.471 1.00 30.78 H new ATOM 0 HD11 LEU A 134 12.961 11.190 8.506 1.00 31.20 H new ATOM 0 HD12 LEU A 134 12.105 9.764 9.138 1.00 31.20 H new ATOM 0 HD13 LEU A 134 12.739 10.991 10.260 1.00 31.20 H new ATOM 0 HD21 LEU A 134 15.386 11.411 8.769 1.00 30.60 H new ATOM 0 HD22 LEU A 134 15.246 11.232 10.534 1.00 30.60 H new ATOM 0 HD23 LEU A 134 16.324 10.156 9.613 1.00 30.60 H new ATOM 2189 N HIS A 135 14.461 7.095 8.250 1.00 30.79 N TER 2190 HIS A 135