USER MOD reduce.3.24.130724 H: found=0, std=0, add=1254, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1254 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: B 67 SER OG : rot 86:sc= 1.23 USER MOD Set 1.2: B 74 HIS : no HD1:sc= -0.596 K(o=0.63,f=-0.47) USER MOD Set 2.1: A 61 THR OG1 : rot 3:sc= 1.02 USER MOD Set 2.2: B 65 LYS NZ :NH3+ 137:sc= 1.24 (180deg=0.974) USER MOD Set 3.1: B 43 ASN : amide:sc= -0.0241 K(o=0.32,f=-2.2!) USER MOD Set 3.2: B 47 GLN : amide:sc= 0.341 K(o=0.32,f=-0.7) USER MOD Set 4.1: B 14 LYS NZ :NH3+ -167:sc= 1.18 (180deg=-0.0137) USER MOD Set 4.2: B 17 GLN : amide:sc= 0.267 K(o=1.4,f=-6.7!) USER MOD Set 5.1: A 29 THR OG1 : rot -129:sc= 1.21 USER MOD Set 5.2: B 7 TYR OH : rot 130:sc= 0.995 USER MOD Set 6.1: A 6 LYS NZ :NH3+ 164:sc= 1.01 (180deg=0.18) USER MOD Set 6.2: A 7 TYR OH : rot 30:sc= -0.179 USER MOD Set 6.3: B 29 THR OG1 : rot 167:sc= 1.38 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.00483 (180deg=-0.0614) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 15:sc= 0.266 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 2.11 (180deg=2.03) USER MOD Single : A 17 GLN : amide:sc= 0.202 X(o=0.2,f=-0.059) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 2.4 (180deg=2.4) USER MOD Single : A 35 MET CE :methyl 147:sc= -0.125 (180deg=-2.38!) USER MOD Single : A 36 CYS SG : rot 79:sc= 1.21 USER MOD Single : A 39 ASN : amide:sc= -0.293 K(o=-0.29,f=-0.85) USER MOD Single : A 42 THR OG1 : rot 74:sc= 1.07 USER MOD Single : A 43 ASN : amide:sc= -0.0848 K(o=-0.085,f=-0.89) USER MOD Single : A 47 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.6) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0196) USER MOD Single : A 59 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0055) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= 1.2 (180deg=1) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 67 SER OG : rot -31:sc= -0.692 USER MOD Single : A 71 HIS : no HE2:sc= -0.162 K(o=-0.16,f=-2.4!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.972 K(o=0.97,f=-6.4!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : B 1 MET CE :methyl 161:sc= -0.1 (180deg=-0.56) USER MOD Single : B 1 MET N :NH3+ -167:sc= -0.0182 (180deg=-0.219) USER MOD Single : B 5 SER OG : rot 180:sc= 0.0725 USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : B 25 LYS NZ :NH3+ -124:sc= 1.3 (180deg=-0.321) USER MOD Single : B 35 MET CE :methyl 152:sc= -0.0652 (180deg=-1.67) USER MOD Single : B 36 CYS SG : rot 86:sc= 1.14 USER MOD Single : B 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 42 THR OG1 : rot 75:sc= 1.14 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 ASN : amide:sc= 1.16 K(o=1.2,f=-0.071) USER MOD Single : B 61 THR OG1 : rot -3:sc= 0.828 USER MOD Single : B 62 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.22) USER MOD Single : B 66 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.1) USER MOD Single : B 71 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : B 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 73 HIS : no HD1:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : B 75 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : B 76 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.452 -14.595 -14.530 1.00 0.00 N ATOM 2 CA MET A 1 -23.541 -13.592 -13.934 1.00 0.00 C ATOM 3 C MET A 1 -22.135 -14.162 -13.805 1.00 0.00 C ATOM 4 O MET A 1 -21.971 -15.345 -13.501 1.00 0.00 O ATOM 5 CB MET A 1 -24.052 -13.156 -12.556 1.00 0.00 C ATOM 6 CG MET A 1 -25.364 -12.393 -12.608 1.00 0.00 C ATOM 7 SD MET A 1 -25.238 -10.865 -13.558 1.00 0.00 S ATOM 8 CE MET A 1 -26.919 -10.255 -13.448 1.00 0.00 C ATOM 0 H1 MET A 1 -24.861 -14.215 -15.407 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.921 -15.463 -14.744 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.216 -14.813 -13.858 1.00 0.00 H new ATOM 0 HA MET A 1 -23.512 -12.723 -14.592 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.179 -14.038 -11.929 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.297 -12.532 -12.078 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.133 -13.028 -13.048 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.686 -12.160 -11.593 1.00 0.00 H new ATOM 0 HE1 MET A 1 -27.000 -9.312 -13.989 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.600 -10.985 -13.886 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.181 -10.096 -12.402 1.00 0.00 H new ATOM 20 N PRO A 2 -21.102 -13.338 -14.054 1.00 0.00 N ATOM 21 CA PRO A 2 -19.702 -13.755 -13.921 1.00 0.00 C ATOM 22 C PRO A 2 -19.322 -14.000 -12.464 1.00 0.00 C ATOM 23 O PRO A 2 -19.789 -13.296 -11.566 1.00 0.00 O ATOM 24 CB PRO A 2 -18.905 -12.569 -14.489 1.00 0.00 C ATOM 25 CG PRO A 2 -19.908 -11.713 -15.191 1.00 0.00 C ATOM 26 CD PRO A 2 -21.212 -11.940 -14.489 1.00 0.00 C ATOM 0 HA PRO A 2 -19.506 -14.693 -14.440 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -18.405 -12.016 -13.694 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -18.131 -12.910 -15.176 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -19.621 -10.662 -15.149 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -19.981 -11.982 -16.245 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -21.342 -11.262 -13.645 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -22.062 -11.788 -15.154 1.00 0.00 H new ATOM 34 N ILE A 3 -18.472 -14.991 -12.230 1.00 0.00 N ATOM 35 CA ILE A 3 -18.095 -15.355 -10.872 1.00 0.00 C ATOM 36 C ILE A 3 -16.628 -15.041 -10.576 1.00 0.00 C ATOM 37 O ILE A 3 -15.735 -15.858 -10.788 1.00 0.00 O ATOM 38 CB ILE A 3 -18.415 -16.838 -10.550 1.00 0.00 C ATOM 39 CG1 ILE A 3 -18.365 -17.734 -11.804 1.00 0.00 C ATOM 40 CG2 ILE A 3 -19.777 -16.938 -9.882 1.00 0.00 C ATOM 41 CD1 ILE A 3 -16.969 -18.083 -12.276 1.00 0.00 C ATOM 0 H ILE A 3 -18.033 -15.554 -12.959 1.00 0.00 H new ATOM 0 HA ILE A 3 -18.706 -14.736 -10.215 1.00 0.00 H new ATOM 0 HB ILE A 3 -17.645 -17.200 -9.869 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -18.905 -18.658 -11.596 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -18.893 -17.232 -12.614 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -19.997 -17.982 -9.658 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -19.772 -16.362 -8.957 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -20.541 -16.542 -10.552 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -17.032 -18.715 -13.162 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -16.428 -17.169 -12.520 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -16.441 -18.617 -11.486 1.00 0.00 H new ATOM 53 N VAL A 4 -16.388 -13.827 -10.103 1.00 0.00 N ATOM 54 CA VAL A 4 -15.045 -13.397 -9.726 1.00 0.00 C ATOM 55 C VAL A 4 -14.971 -13.126 -8.227 1.00 0.00 C ATOM 56 O VAL A 4 -13.967 -12.628 -7.717 1.00 0.00 O ATOM 57 CB VAL A 4 -14.620 -12.124 -10.494 1.00 0.00 C ATOM 58 CG1 VAL A 4 -14.533 -12.400 -11.987 1.00 0.00 C ATOM 59 CG2 VAL A 4 -15.581 -10.974 -10.217 1.00 0.00 C ATOM 0 H VAL A 4 -17.108 -13.117 -9.970 1.00 0.00 H new ATOM 0 HA VAL A 4 -14.362 -14.205 -9.987 1.00 0.00 H new ATOM 0 HB VAL A 4 -13.631 -11.832 -10.140 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.233 -11.491 -12.508 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.797 -13.183 -12.170 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.507 -12.724 -12.354 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.260 -10.091 -10.769 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -16.585 -11.255 -10.534 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -15.586 -10.753 -9.150 1.00 0.00 H new ATOM 69 N SER A 5 -16.042 -13.472 -7.529 1.00 0.00 N ATOM 70 CA SER A 5 -16.149 -13.216 -6.103 1.00 0.00 C ATOM 71 C SER A 5 -15.281 -14.182 -5.300 1.00 0.00 C ATOM 72 O SER A 5 -15.619 -15.356 -5.142 1.00 0.00 O ATOM 73 CB SER A 5 -17.610 -13.336 -5.671 1.00 0.00 C ATOM 74 OG SER A 5 -18.451 -12.581 -6.528 1.00 0.00 O ATOM 0 H SER A 5 -16.856 -13.935 -7.933 1.00 0.00 H new ATOM 0 HA SER A 5 -15.792 -12.205 -5.906 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.914 -14.383 -5.686 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.721 -12.986 -4.645 1.00 0.00 H new ATOM 0 HG SER A 5 -19.382 -12.672 -6.236 1.00 0.00 H new ATOM 80 N LYS A 6 -14.143 -13.690 -4.830 1.00 0.00 N ATOM 81 CA LYS A 6 -13.291 -14.464 -3.934 1.00 0.00 C ATOM 82 C LYS A 6 -13.583 -14.098 -2.484 1.00 0.00 C ATOM 83 O LYS A 6 -13.438 -14.920 -1.580 1.00 0.00 O ATOM 84 CB LYS A 6 -11.808 -14.222 -4.235 1.00 0.00 C ATOM 85 CG LYS A 6 -11.332 -14.826 -5.549 1.00 0.00 C ATOM 86 CD LYS A 6 -9.825 -14.675 -5.731 1.00 0.00 C ATOM 87 CE LYS A 6 -9.052 -15.306 -4.578 1.00 0.00 C ATOM 88 NZ LYS A 6 -7.581 -15.322 -4.811 1.00 0.00 N ATOM 0 H LYS A 6 -13.788 -12.760 -5.053 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.509 -15.520 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.623 -13.148 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.211 -14.634 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.597 -15.883 -5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.848 -14.343 -6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.523 -15.140 -6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.571 -13.617 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.264 -14.757 -3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.403 -16.327 -4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.089 -15.502 -3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.345 -16.072 -5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.280 -14.402 -5.192 1.00 0.00 H new ATOM 102 N TYR A 7 -13.999 -12.856 -2.269 1.00 0.00 N ATOM 103 CA TYR A 7 -14.253 -12.355 -0.925 1.00 0.00 C ATOM 104 C TYR A 7 -15.556 -11.572 -0.906 1.00 0.00 C ATOM 105 O TYR A 7 -16.123 -11.282 -1.961 1.00 0.00 O ATOM 106 CB TYR A 7 -13.103 -11.449 -0.462 1.00 0.00 C ATOM 107 CG TYR A 7 -11.735 -11.971 -0.830 1.00 0.00 C ATOM 108 CD1 TYR A 7 -11.161 -13.030 -0.140 1.00 0.00 C ATOM 109 CD2 TYR A 7 -11.029 -11.415 -1.889 1.00 0.00 C ATOM 110 CE1 TYR A 7 -9.922 -13.521 -0.494 1.00 0.00 C ATOM 111 CE2 TYR A 7 -9.787 -11.895 -2.246 1.00 0.00 C ATOM 112 CZ TYR A 7 -9.240 -12.950 -1.549 1.00 0.00 C ATOM 113 OH TYR A 7 -8.009 -13.444 -1.913 1.00 0.00 O ATOM 0 H TYR A 7 -14.168 -12.176 -3.010 1.00 0.00 H new ATOM 0 HA TYR A 7 -14.327 -13.204 -0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -13.234 -10.459 -0.898 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -13.158 -11.331 0.620 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.693 -13.476 0.687 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -11.460 -10.593 -2.442 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.488 -14.347 0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.246 -11.447 -3.067 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.967 -14.401 -1.707 1.00 0.00 H new ATOM 123 N SER A 8 -16.031 -11.240 0.284 1.00 0.00 N ATOM 124 CA SER A 8 -17.207 -10.400 0.423 1.00 0.00 C ATOM 125 C SER A 8 -16.799 -8.938 0.278 1.00 0.00 C ATOM 126 O SER A 8 -15.913 -8.465 0.992 1.00 0.00 O ATOM 127 CB SER A 8 -17.874 -10.641 1.785 1.00 0.00 C ATOM 128 OG SER A 8 -19.042 -9.849 1.946 1.00 0.00 O ATOM 0 H SER A 8 -15.619 -11.540 1.167 1.00 0.00 H new ATOM 0 HA SER A 8 -17.927 -10.650 -0.356 1.00 0.00 H new ATOM 0 HB2 SER A 8 -18.133 -11.695 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.167 -10.412 2.582 1.00 0.00 H new ATOM 0 HG SER A 8 -19.317 -9.492 1.076 1.00 0.00 H new ATOM 134 N ASN A 9 -17.436 -8.229 -0.650 1.00 0.00 N ATOM 135 CA ASN A 9 -17.105 -6.826 -0.907 1.00 0.00 C ATOM 136 C ASN A 9 -17.316 -5.987 0.345 1.00 0.00 C ATOM 137 O ASN A 9 -16.565 -5.052 0.615 1.00 0.00 O ATOM 138 CB ASN A 9 -17.958 -6.260 -2.044 1.00 0.00 C ATOM 139 CG ASN A 9 -17.740 -6.970 -3.366 1.00 0.00 C ATOM 140 OD1 ASN A 9 -16.663 -7.499 -3.638 1.00 0.00 O ATOM 141 ND2 ASN A 9 -18.768 -6.984 -4.198 1.00 0.00 N ATOM 0 H ASN A 9 -18.183 -8.600 -1.237 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.055 -6.784 -1.197 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.011 -6.332 -1.770 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.732 -5.201 -2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.685 -7.446 -5.104 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.644 -6.533 -3.934 1.00 0.00 H new ATOM 148 N GLU A 10 -18.336 -6.347 1.115 1.00 0.00 N ATOM 149 CA GLU A 10 -18.657 -5.654 2.354 1.00 0.00 C ATOM 150 C GLU A 10 -17.493 -5.767 3.335 1.00 0.00 C ATOM 151 O GLU A 10 -17.181 -4.826 4.067 1.00 0.00 O ATOM 152 CB GLU A 10 -19.930 -6.234 2.984 1.00 0.00 C ATOM 153 CG GLU A 10 -21.184 -6.111 2.120 1.00 0.00 C ATOM 154 CD GLU A 10 -21.122 -6.929 0.843 1.00 0.00 C ATOM 155 OE1 GLU A 10 -20.962 -8.164 0.925 1.00 0.00 O ATOM 156 OE2 GLU A 10 -21.230 -6.343 -0.250 1.00 0.00 O ATOM 0 H GLU A 10 -18.960 -7.124 0.898 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.831 -4.603 2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.761 -7.287 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.110 -5.732 3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -22.049 -6.427 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -21.338 -5.063 1.864 1.00 0.00 H new ATOM 163 N ARG A 11 -16.843 -6.924 3.324 1.00 0.00 N ATOM 164 CA ARG A 11 -15.692 -7.172 4.180 1.00 0.00 C ATOM 165 C ARG A 11 -14.482 -6.393 3.673 1.00 0.00 C ATOM 166 O ARG A 11 -13.692 -5.876 4.464 1.00 0.00 O ATOM 167 CB ARG A 11 -15.395 -8.675 4.226 1.00 0.00 C ATOM 168 CG ARG A 11 -14.177 -9.047 5.051 1.00 0.00 C ATOM 169 CD ARG A 11 -14.073 -10.553 5.217 1.00 0.00 C ATOM 170 NE ARG A 11 -12.861 -10.951 5.927 1.00 0.00 N ATOM 171 CZ ARG A 11 -12.737 -10.960 7.258 1.00 0.00 C ATOM 172 NH1 ARG A 11 -13.731 -10.541 8.035 1.00 0.00 N ATOM 173 NH2 ARG A 11 -11.609 -11.381 7.808 1.00 0.00 N ATOM 0 H ARG A 11 -17.097 -7.711 2.726 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.915 -6.832 5.191 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -16.265 -9.193 4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.253 -9.037 3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.276 -8.667 4.568 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.238 -8.573 6.030 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.945 -10.917 5.760 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.088 -11.026 4.235 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.056 -11.241 5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.600 -10.208 7.617 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.625 -10.552 9.049 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.840 -11.696 7.217 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.509 -11.390 8.823 1.00 0.00 H new ATOM 187 N VAL A 12 -14.358 -6.298 2.353 1.00 0.00 N ATOM 188 CA VAL A 12 -13.287 -5.525 1.734 1.00 0.00 C ATOM 189 C VAL A 12 -13.395 -4.059 2.143 1.00 0.00 C ATOM 190 O VAL A 12 -12.422 -3.460 2.607 1.00 0.00 O ATOM 191 CB VAL A 12 -13.321 -5.636 0.192 1.00 0.00 C ATOM 192 CG1 VAL A 12 -12.185 -4.836 -0.433 1.00 0.00 C ATOM 193 CG2 VAL A 12 -13.253 -7.093 -0.245 1.00 0.00 C ATOM 0 H VAL A 12 -14.988 -6.748 1.689 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.340 -5.936 2.083 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.265 -5.218 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.229 -4.929 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.283 -3.787 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.230 -5.219 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.278 -7.148 -1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.328 -7.539 0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.104 -7.636 0.166 1.00 0.00 H new ATOM 203 N GLU A 13 -14.596 -3.503 1.992 1.00 0.00 N ATOM 204 CA GLU A 13 -14.874 -2.124 2.389 1.00 0.00 C ATOM 205 C GLU A 13 -14.541 -1.900 3.862 1.00 0.00 C ATOM 206 O GLU A 13 -14.080 -0.822 4.249 1.00 0.00 O ATOM 207 CB GLU A 13 -16.346 -1.793 2.140 1.00 0.00 C ATOM 208 CG GLU A 13 -16.732 -1.746 0.671 1.00 0.00 C ATOM 209 CD GLU A 13 -16.075 -0.598 -0.063 1.00 0.00 C ATOM 210 OE1 GLU A 13 -16.494 0.561 0.149 1.00 0.00 O ATOM 211 OE2 GLU A 13 -15.155 -0.843 -0.861 1.00 0.00 O ATOM 0 H GLU A 13 -15.398 -3.991 1.594 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.246 -1.466 1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.964 -2.536 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.572 -0.829 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.452 -2.686 0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.815 -1.656 0.586 1.00 0.00 H new ATOM 218 N LYS A 14 -14.778 -2.922 4.677 1.00 0.00 N ATOM 219 CA LYS A 14 -14.471 -2.853 6.098 1.00 0.00 C ATOM 220 C LYS A 14 -12.970 -2.716 6.321 1.00 0.00 C ATOM 221 O LYS A 14 -12.517 -1.814 7.023 1.00 0.00 O ATOM 222 CB LYS A 14 -14.980 -4.101 6.823 1.00 0.00 C ATOM 223 CG LYS A 14 -14.592 -4.134 8.291 1.00 0.00 C ATOM 224 CD LYS A 14 -14.946 -5.455 8.942 1.00 0.00 C ATOM 225 CE LYS A 14 -14.478 -5.489 10.386 1.00 0.00 C ATOM 226 NZ LYS A 14 -13.003 -5.321 10.498 1.00 0.00 N ATOM 0 H LYS A 14 -15.182 -3.809 4.376 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.973 -1.974 6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.066 -4.146 6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.585 -4.988 6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.521 -3.958 8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.096 -3.324 8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.024 -5.608 8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.487 -6.273 8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.977 -4.699 10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.771 -6.436 10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.709 -5.485 11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.527 -6.005 9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.741 -4.355 10.215 1.00 0.00 H new ATOM 240 N ILE A 15 -12.207 -3.607 5.704 1.00 0.00 N ATOM 241 CA ILE A 15 -10.761 -3.637 5.881 1.00 0.00 C ATOM 242 C ILE A 15 -10.126 -2.341 5.388 1.00 0.00 C ATOM 243 O ILE A 15 -9.202 -1.817 6.011 1.00 0.00 O ATOM 244 CB ILE A 15 -10.137 -4.848 5.156 1.00 0.00 C ATOM 245 CG1 ILE A 15 -10.752 -6.142 5.694 1.00 0.00 C ATOM 246 CG2 ILE A 15 -8.622 -4.860 5.338 1.00 0.00 C ATOM 247 CD1 ILE A 15 -10.321 -7.382 4.948 1.00 0.00 C ATOM 0 H ILE A 15 -12.567 -4.323 5.073 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.561 -3.737 6.948 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.349 -4.770 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -10.483 -6.251 6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.838 -6.062 5.649 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.200 -5.721 4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.199 -3.945 4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.384 -4.923 6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.799 -8.257 5.389 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.614 -7.297 3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.238 -7.489 5.014 1.00 0.00 H new ATOM 259 N ILE A 16 -10.637 -1.812 4.281 1.00 0.00 N ATOM 260 CA ILE A 16 -10.182 -0.522 3.775 1.00 0.00 C ATOM 261 C ILE A 16 -10.425 0.565 4.821 1.00 0.00 C ATOM 262 O ILE A 16 -9.570 1.419 5.059 1.00 0.00 O ATOM 263 CB ILE A 16 -10.895 -0.144 2.457 1.00 0.00 C ATOM 264 CG1 ILE A 16 -10.614 -1.196 1.380 1.00 0.00 C ATOM 265 CG2 ILE A 16 -10.450 1.232 1.981 1.00 0.00 C ATOM 266 CD1 ILE A 16 -11.365 -0.966 0.084 1.00 0.00 C ATOM 0 H ILE A 16 -11.364 -2.255 3.719 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.115 -0.604 3.570 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.968 -0.112 2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.544 -1.210 1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.876 -2.180 1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.964 1.479 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.694 1.976 2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.373 1.227 1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.113 -1.752 -0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.438 -0.982 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.086 0.002 -0.331 1.00 0.00 H new ATOM 278 N GLN A 17 -11.593 0.504 5.456 1.00 0.00 N ATOM 279 CA GLN A 17 -11.951 1.435 6.522 1.00 0.00 C ATOM 280 C GLN A 17 -10.992 1.294 7.700 1.00 0.00 C ATOM 281 O GLN A 17 -10.497 2.291 8.231 1.00 0.00 O ATOM 282 CB GLN A 17 -13.393 1.186 6.982 1.00 0.00 C ATOM 283 CG GLN A 17 -13.875 2.142 8.064 1.00 0.00 C ATOM 284 CD GLN A 17 -13.829 3.591 7.622 1.00 0.00 C ATOM 285 OE1 GLN A 17 -14.783 4.105 7.035 1.00 0.00 O ATOM 286 NE2 GLN A 17 -12.731 4.267 7.918 1.00 0.00 N ATOM 0 H GLN A 17 -12.313 -0.187 5.248 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.876 2.450 6.133 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -14.056 1.265 6.121 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.473 0.164 7.353 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.896 1.883 8.344 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.259 2.018 8.955 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.963 3.805 8.405 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.652 5.250 7.659 1.00 0.00 H new ATOM 295 N ASP A 18 -10.722 0.053 8.091 1.00 0.00 N ATOM 296 CA ASP A 18 -9.813 -0.229 9.198 1.00 0.00 C ATOM 297 C ASP A 18 -8.412 0.309 8.912 1.00 0.00 C ATOM 298 O ASP A 18 -7.759 0.865 9.798 1.00 0.00 O ATOM 299 CB ASP A 18 -9.745 -1.735 9.490 1.00 0.00 C ATOM 300 CG ASP A 18 -10.965 -2.251 10.234 1.00 0.00 C ATOM 301 OD1 ASP A 18 -11.200 -1.804 11.378 1.00 0.00 O ATOM 302 OD2 ASP A 18 -11.688 -3.115 9.691 1.00 0.00 O ATOM 0 H ASP A 18 -11.122 -0.778 7.655 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.208 0.278 10.078 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.643 -2.278 8.550 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.852 -1.946 10.078 1.00 0.00 H new ATOM 307 N LEU A 19 -7.958 0.153 7.673 1.00 0.00 N ATOM 308 CA LEU A 19 -6.641 0.645 7.271 1.00 0.00 C ATOM 309 C LEU A 19 -6.603 2.170 7.283 1.00 0.00 C ATOM 310 O LEU A 19 -5.616 2.774 7.710 1.00 0.00 O ATOM 311 CB LEU A 19 -6.274 0.124 5.879 1.00 0.00 C ATOM 312 CG LEU A 19 -6.127 -1.393 5.767 1.00 0.00 C ATOM 313 CD1 LEU A 19 -5.817 -1.789 4.335 1.00 0.00 C ATOM 314 CD2 LEU A 19 -5.042 -1.899 6.705 1.00 0.00 C ATOM 0 H LEU A 19 -8.480 -0.309 6.929 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.911 0.274 7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.038 0.451 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.336 0.587 5.571 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.072 -1.852 6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.715 -2.872 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.627 -1.462 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.886 -1.318 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.954 -2.981 6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.091 -1.433 6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.302 -1.646 7.733 1.00 0.00 H new ATOM 326 N LEU A 20 -7.685 2.791 6.822 1.00 0.00 N ATOM 327 CA LEU A 20 -7.795 4.245 6.840 1.00 0.00 C ATOM 328 C LEU A 20 -7.742 4.758 8.272 1.00 0.00 C ATOM 329 O LEU A 20 -7.111 5.777 8.556 1.00 0.00 O ATOM 330 CB LEU A 20 -9.093 4.705 6.166 1.00 0.00 C ATOM 331 CG LEU A 20 -9.185 4.422 4.666 1.00 0.00 C ATOM 332 CD1 LEU A 20 -10.535 4.862 4.125 1.00 0.00 C ATOM 333 CD2 LEU A 20 -8.058 5.124 3.920 1.00 0.00 C ATOM 0 H LEU A 20 -8.496 2.311 6.432 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.954 4.656 6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.933 4.220 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.205 5.778 6.324 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.084 3.348 4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.584 4.654 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.328 4.317 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.663 5.931 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.139 4.911 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.129 6.200 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.098 4.764 4.289 1.00 0.00 H new ATOM 345 N ASP A 21 -8.392 4.027 9.171 1.00 0.00 N ATOM 346 CA ASP A 21 -8.397 4.368 10.590 1.00 0.00 C ATOM 347 C ASP A 21 -6.991 4.342 11.167 1.00 0.00 C ATOM 348 O ASP A 21 -6.664 5.139 12.041 1.00 0.00 O ATOM 349 CB ASP A 21 -9.309 3.423 11.373 1.00 0.00 C ATOM 350 CG ASP A 21 -10.667 4.036 11.643 1.00 0.00 C ATOM 351 OD1 ASP A 21 -11.338 4.458 10.679 1.00 0.00 O ATOM 352 OD2 ASP A 21 -11.059 4.122 12.828 1.00 0.00 O ATOM 0 H ASP A 21 -8.926 3.189 8.940 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.785 5.382 10.684 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.435 2.496 10.814 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.834 3.163 12.319 1.00 0.00 H new ATOM 357 N VAL A 22 -6.159 3.431 10.671 1.00 0.00 N ATOM 358 CA VAL A 22 -4.755 3.387 11.066 1.00 0.00 C ATOM 359 C VAL A 22 -4.063 4.692 10.685 1.00 0.00 C ATOM 360 O VAL A 22 -3.369 5.309 11.496 1.00 0.00 O ATOM 361 CB VAL A 22 -4.005 2.213 10.394 1.00 0.00 C ATOM 362 CG1 VAL A 22 -2.530 2.222 10.769 1.00 0.00 C ATOM 363 CG2 VAL A 22 -4.640 0.883 10.761 1.00 0.00 C ATOM 0 H VAL A 22 -6.431 2.716 9.997 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.728 3.244 12.146 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.082 2.343 9.315 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.026 1.386 10.283 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.077 3.158 10.442 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.429 2.128 11.850 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.095 0.073 10.276 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.604 0.749 11.842 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.678 0.871 10.429 1.00 0.00 H new ATOM 373 N LEU A 23 -4.286 5.116 9.448 1.00 0.00 N ATOM 374 CA LEU A 23 -3.675 6.329 8.924 1.00 0.00 C ATOM 375 C LEU A 23 -4.146 7.557 9.702 1.00 0.00 C ATOM 376 O LEU A 23 -3.345 8.427 10.045 1.00 0.00 O ATOM 377 CB LEU A 23 -4.005 6.482 7.437 1.00 0.00 C ATOM 378 CG LEU A 23 -3.591 5.297 6.556 1.00 0.00 C ATOM 379 CD1 LEU A 23 -4.047 5.512 5.123 1.00 0.00 C ATOM 380 CD2 LEU A 23 -2.084 5.090 6.611 1.00 0.00 C ATOM 0 H LEU A 23 -4.891 4.632 8.784 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.594 6.248 9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.079 6.635 7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.517 7.382 7.063 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.075 4.399 6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.744 4.661 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.132 5.609 5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.592 6.421 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.810 4.245 5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.580 5.988 6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.782 4.888 7.639 1.00 0.00 H new ATOM 392 N VAL A 24 -5.443 7.610 9.992 1.00 0.00 N ATOM 393 CA VAL A 24 -6.024 8.724 10.743 1.00 0.00 C ATOM 394 C VAL A 24 -5.531 8.725 12.191 1.00 0.00 C ATOM 395 O VAL A 24 -5.289 9.780 12.779 1.00 0.00 O ATOM 396 CB VAL A 24 -7.570 8.668 10.729 1.00 0.00 C ATOM 397 CG1 VAL A 24 -8.166 9.811 11.539 1.00 0.00 C ATOM 398 CG2 VAL A 24 -8.093 8.708 9.303 1.00 0.00 C ATOM 0 H VAL A 24 -6.115 6.893 9.718 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.701 9.643 10.253 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.875 7.728 11.188 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.254 9.747 11.512 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.824 9.742 12.572 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.848 10.763 11.114 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.182 8.668 9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.769 9.631 8.822 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.704 7.854 8.749 1.00 0.00 H new ATOM 408 N LYS A 25 -5.365 7.533 12.749 1.00 0.00 N ATOM 409 CA LYS A 25 -4.905 7.374 14.125 1.00 0.00 C ATOM 410 C LYS A 25 -3.503 7.954 14.312 1.00 0.00 C ATOM 411 O LYS A 25 -3.163 8.453 15.387 1.00 0.00 O ATOM 412 CB LYS A 25 -4.934 5.890 14.508 1.00 0.00 C ATOM 413 CG LYS A 25 -4.353 5.579 15.880 1.00 0.00 C ATOM 414 CD LYS A 25 -4.621 4.136 16.286 1.00 0.00 C ATOM 415 CE LYS A 25 -4.154 3.148 15.226 1.00 0.00 C ATOM 416 NZ LYS A 25 -2.672 3.049 15.145 1.00 0.00 N ATOM 0 H LYS A 25 -5.544 6.653 12.265 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.576 7.927 14.782 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.966 5.540 14.477 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.383 5.324 13.757 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.278 5.762 15.871 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.785 6.252 16.620 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.114 3.924 17.227 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.688 4.001 16.462 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.568 2.164 15.445 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.547 3.450 14.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.410 2.363 14.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.274 3.980 14.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.295 2.734 16.061 1.00 0.00 H new ATOM 430 N GLU A 26 -2.694 7.899 13.260 1.00 0.00 N ATOM 431 CA GLU A 26 -1.335 8.418 13.320 1.00 0.00 C ATOM 432 C GLU A 26 -1.253 9.824 12.732 1.00 0.00 C ATOM 433 O GLU A 26 -0.281 10.542 12.969 1.00 0.00 O ATOM 434 CB GLU A 26 -0.370 7.493 12.574 1.00 0.00 C ATOM 435 CG GLU A 26 -0.394 6.054 13.063 1.00 0.00 C ATOM 436 CD GLU A 26 -0.268 5.947 14.568 1.00 0.00 C ATOM 437 OE1 GLU A 26 0.663 6.561 15.141 1.00 0.00 O ATOM 438 OE2 GLU A 26 -1.112 5.260 15.183 1.00 0.00 O ATOM 0 H GLU A 26 -2.956 7.501 12.358 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.048 8.463 14.371 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.614 7.510 11.512 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.643 7.884 12.674 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.324 5.582 12.746 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.420 5.501 12.594 1.00 0.00 H new ATOM 445 N GLU A 27 -2.281 10.205 11.971 1.00 0.00 N ATOM 446 CA GLU A 27 -2.307 11.487 11.261 1.00 0.00 C ATOM 447 C GLU A 27 -1.097 11.612 10.339 1.00 0.00 C ATOM 448 O GLU A 27 -0.465 12.670 10.255 1.00 0.00 O ATOM 449 CB GLU A 27 -2.348 12.663 12.239 1.00 0.00 C ATOM 450 CG GLU A 27 -3.576 12.678 13.133 1.00 0.00 C ATOM 451 CD GLU A 27 -3.738 13.996 13.853 1.00 0.00 C ATOM 452 OE1 GLU A 27 -2.952 14.273 14.781 1.00 0.00 O ATOM 453 OE2 GLU A 27 -4.639 14.774 13.477 1.00 0.00 O ATOM 0 H GLU A 27 -3.116 9.637 11.829 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.215 11.515 10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.456 12.634 12.864 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.311 13.594 11.674 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.464 12.482 12.532 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.502 11.873 13.864 1.00 0.00 H new ATOM 460 N VAL A 28 -0.800 10.527 9.637 1.00 0.00 N ATOM 461 CA VAL A 28 0.371 10.458 8.778 1.00 0.00 C ATOM 462 C VAL A 28 0.283 11.443 7.617 1.00 0.00 C ATOM 463 O VAL A 28 -0.772 11.618 7.003 1.00 0.00 O ATOM 464 CB VAL A 28 0.589 9.029 8.230 1.00 0.00 C ATOM 465 CG1 VAL A 28 0.939 8.076 9.359 1.00 0.00 C ATOM 466 CG2 VAL A 28 -0.642 8.538 7.485 1.00 0.00 C ATOM 0 H VAL A 28 -1.361 9.675 9.647 1.00 0.00 H new ATOM 0 HA VAL A 28 1.225 10.731 9.398 1.00 0.00 H new ATOM 0 HB VAL A 28 1.422 9.059 7.527 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.089 7.074 8.956 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.854 8.411 9.848 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.126 8.057 10.084 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.462 7.531 7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.496 8.526 8.162 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.851 9.205 6.649 1.00 0.00 H new ATOM 476 N THR A 29 1.398 12.099 7.342 1.00 0.00 N ATOM 477 CA THR A 29 1.508 13.003 6.212 1.00 0.00 C ATOM 478 C THR A 29 1.701 12.209 4.920 1.00 0.00 C ATOM 479 O THR A 29 2.055 11.033 4.976 1.00 0.00 O ATOM 480 CB THR A 29 2.685 13.974 6.417 1.00 0.00 C ATOM 481 OG1 THR A 29 3.823 13.259 6.922 1.00 0.00 O ATOM 482 CG2 THR A 29 2.310 15.087 7.383 1.00 0.00 C ATOM 0 H THR A 29 2.251 12.019 7.896 1.00 0.00 H new ATOM 0 HA THR A 29 0.587 13.581 6.137 1.00 0.00 H new ATOM 0 HB THR A 29 2.931 14.422 5.454 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.172 13.717 7.715 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.158 15.759 7.511 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.462 15.644 6.985 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.040 14.656 8.347 1.00 0.00 H new ATOM 490 N PRO A 30 1.461 12.832 3.747 1.00 0.00 N ATOM 491 CA PRO A 30 1.581 12.162 2.443 1.00 0.00 C ATOM 492 C PRO A 30 2.863 11.340 2.301 1.00 0.00 C ATOM 493 O PRO A 30 2.811 10.135 2.043 1.00 0.00 O ATOM 494 CB PRO A 30 1.585 13.326 1.453 1.00 0.00 C ATOM 495 CG PRO A 30 0.784 14.387 2.121 1.00 0.00 C ATOM 496 CD PRO A 30 1.038 14.240 3.599 1.00 0.00 C ATOM 0 HA PRO A 30 0.777 11.442 2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.599 13.666 1.245 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.144 13.037 0.499 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.081 15.376 1.772 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.276 14.274 1.895 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.811 14.928 3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.141 14.451 4.182 1.00 0.00 H new ATOM 504 N ASP A 31 4.003 11.997 2.482 1.00 0.00 N ATOM 505 CA ASP A 31 5.307 11.346 2.361 1.00 0.00 C ATOM 506 C ASP A 31 5.428 10.174 3.330 1.00 0.00 C ATOM 507 O ASP A 31 5.866 9.083 2.955 1.00 0.00 O ATOM 508 CB ASP A 31 6.429 12.353 2.637 1.00 0.00 C ATOM 509 CG ASP A 31 6.401 13.539 1.692 1.00 0.00 C ATOM 510 OD1 ASP A 31 5.535 14.421 1.864 1.00 0.00 O ATOM 511 OD2 ASP A 31 7.250 13.606 0.777 1.00 0.00 O ATOM 0 H ASP A 31 4.052 12.989 2.715 1.00 0.00 H new ATOM 0 HA ASP A 31 5.398 10.967 1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.346 12.710 3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.392 11.849 2.552 1.00 0.00 H new ATOM 516 N LEU A 32 5.023 10.403 4.574 1.00 0.00 N ATOM 517 CA LEU A 32 5.092 9.383 5.611 1.00 0.00 C ATOM 518 C LEU A 32 4.184 8.205 5.270 1.00 0.00 C ATOM 519 O LEU A 32 4.582 7.046 5.400 1.00 0.00 O ATOM 520 CB LEU A 32 4.693 9.979 6.966 1.00 0.00 C ATOM 521 CG LEU A 32 4.788 9.027 8.160 1.00 0.00 C ATOM 522 CD1 LEU A 32 6.218 8.544 8.350 1.00 0.00 C ATOM 523 CD2 LEU A 32 4.285 9.713 9.420 1.00 0.00 C ATOM 0 H LEU A 32 4.640 11.294 4.890 1.00 0.00 H new ATOM 0 HA LEU A 32 6.119 9.022 5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.326 10.844 7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.668 10.343 6.895 1.00 0.00 H new ATOM 0 HG LEU A 32 4.160 8.159 7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.263 7.868 9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.547 8.018 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.870 9.399 8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.358 9.025 10.262 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.891 10.597 9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.245 10.010 9.282 1.00 0.00 H new ATOM 535 N ALA A 33 2.973 8.514 4.820 1.00 0.00 N ATOM 536 CA ALA A 33 1.989 7.499 4.470 1.00 0.00 C ATOM 537 C ALA A 33 2.511 6.578 3.378 1.00 0.00 C ATOM 538 O ALA A 33 2.415 5.358 3.490 1.00 0.00 O ATOM 539 CB ALA A 33 0.690 8.154 4.028 1.00 0.00 C ATOM 0 H ALA A 33 2.648 9.472 4.688 1.00 0.00 H new ATOM 0 HA ALA A 33 1.799 6.896 5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.036 7.384 3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.297 8.766 4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.877 8.783 3.158 1.00 0.00 H new ATOM 545 N LEU A 34 3.076 7.168 2.333 1.00 0.00 N ATOM 546 CA LEU A 34 3.599 6.401 1.205 1.00 0.00 C ATOM 547 C LEU A 34 4.687 5.435 1.662 1.00 0.00 C ATOM 548 O LEU A 34 4.690 4.263 1.282 1.00 0.00 O ATOM 549 CB LEU A 34 4.150 7.343 0.132 1.00 0.00 C ATOM 550 CG LEU A 34 3.130 8.316 -0.466 1.00 0.00 C ATOM 551 CD1 LEU A 34 3.798 9.224 -1.485 1.00 0.00 C ATOM 552 CD2 LEU A 34 1.970 7.559 -1.100 1.00 0.00 C ATOM 0 H LEU A 34 3.185 8.178 2.241 1.00 0.00 H new ATOM 0 HA LEU A 34 2.780 5.820 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.969 7.919 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.572 6.743 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 34 2.732 8.934 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.060 9.910 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.590 9.794 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.224 8.620 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.257 8.270 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.347 6.913 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.475 6.952 -0.343 1.00 0.00 H new ATOM 564 N MET A 35 5.589 5.927 2.503 1.00 0.00 N ATOM 565 CA MET A 35 6.691 5.117 3.015 1.00 0.00 C ATOM 566 C MET A 35 6.177 3.970 3.881 1.00 0.00 C ATOM 567 O MET A 35 6.788 2.904 3.942 1.00 0.00 O ATOM 568 CB MET A 35 7.660 5.998 3.807 1.00 0.00 C ATOM 569 CG MET A 35 8.862 5.246 4.365 1.00 0.00 C ATOM 570 SD MET A 35 10.068 6.341 5.144 1.00 0.00 S ATOM 571 CE MET A 35 9.062 7.128 6.399 1.00 0.00 C ATOM 0 H MET A 35 5.580 6.887 2.847 1.00 0.00 H new ATOM 0 HA MET A 35 7.220 4.680 2.168 1.00 0.00 H new ATOM 0 HB2 MET A 35 8.014 6.802 3.162 1.00 0.00 H new ATOM 0 HB3 MET A 35 7.121 6.464 4.631 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.520 4.512 5.094 1.00 0.00 H new ATOM 0 HG3 MET A 35 9.346 4.694 3.560 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.674 7.341 7.276 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.654 8.060 6.007 1.00 0.00 H new ATOM 0 HE3 MET A 35 8.245 6.464 6.680 1.00 0.00 H new ATOM 581 N CYS A 36 5.047 4.182 4.536 1.00 0.00 N ATOM 582 CA CYS A 36 4.467 3.153 5.383 1.00 0.00 C ATOM 583 C CYS A 36 3.660 2.153 4.554 1.00 0.00 C ATOM 584 O CYS A 36 3.822 0.940 4.694 1.00 0.00 O ATOM 585 CB CYS A 36 3.579 3.784 6.455 1.00 0.00 C ATOM 586 SG CYS A 36 4.433 4.985 7.501 1.00 0.00 S ATOM 0 H CYS A 36 4.516 5.052 4.498 1.00 0.00 H new ATOM 0 HA CYS A 36 5.282 2.617 5.869 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.735 4.275 5.971 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.170 2.994 7.085 1.00 0.00 H new ATOM 0 HG CYS A 36 4.545 6.113 6.864 1.00 0.00 H new ATOM 592 N LEU A 37 2.807 2.675 3.679 1.00 0.00 N ATOM 593 CA LEU A 37 1.928 1.846 2.861 1.00 0.00 C ATOM 594 C LEU A 37 2.723 0.960 1.907 1.00 0.00 C ATOM 595 O LEU A 37 2.514 -0.252 1.857 1.00 0.00 O ATOM 596 CB LEU A 37 0.955 2.728 2.073 1.00 0.00 C ATOM 597 CG LEU A 37 -0.058 3.499 2.925 1.00 0.00 C ATOM 598 CD1 LEU A 37 -0.844 4.478 2.069 1.00 0.00 C ATOM 599 CD2 LEU A 37 -1.002 2.539 3.631 1.00 0.00 C ATOM 0 H LEU A 37 2.705 3.677 3.517 1.00 0.00 H new ATOM 0 HA LEU A 37 1.364 1.196 3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.531 3.443 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.410 2.101 1.367 1.00 0.00 H new ATOM 0 HG LEU A 37 0.491 4.063 3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.558 5.015 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.159 5.189 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.380 3.933 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.714 3.105 4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.541 1.948 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.429 1.875 4.278 1.00 0.00 H new ATOM 611 N GLY A 38 3.652 1.563 1.171 1.00 0.00 N ATOM 612 CA GLY A 38 4.423 0.817 0.189 1.00 0.00 C ATOM 613 C GLY A 38 5.283 -0.257 0.821 1.00 0.00 C ATOM 614 O GLY A 38 5.537 -1.304 0.220 1.00 0.00 O ATOM 0 H GLY A 38 3.885 2.554 1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.743 0.358 -0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.058 1.505 -0.368 1.00 0.00 H new ATOM 618 N ASN A 39 5.720 -0.001 2.042 1.00 0.00 N ATOM 619 CA ASN A 39 6.544 -0.947 2.776 1.00 0.00 C ATOM 620 C ASN A 39 5.711 -2.167 3.163 1.00 0.00 C ATOM 621 O ASN A 39 6.152 -3.309 3.026 1.00 0.00 O ATOM 622 CB ASN A 39 7.121 -0.261 4.015 1.00 0.00 C ATOM 623 CG ASN A 39 8.371 -0.931 4.546 1.00 0.00 C ATOM 624 OD1 ASN A 39 8.518 -2.149 4.497 1.00 0.00 O ATOM 625 ND2 ASN A 39 9.294 -0.122 5.043 1.00 0.00 N ATOM 0 H ASN A 39 5.516 0.860 2.549 1.00 0.00 H new ATOM 0 HA ASN A 39 7.369 -1.284 2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.349 0.777 3.773 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.364 -0.247 4.799 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.167 -0.506 5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.132 0.885 5.065 1.00 0.00 H new ATOM 632 N ALA A 40 4.485 -1.911 3.608 1.00 0.00 N ATOM 633 CA ALA A 40 3.555 -2.979 3.954 1.00 0.00 C ATOM 634 C ALA A 40 3.218 -3.819 2.724 1.00 0.00 C ATOM 635 O ALA A 40 3.124 -5.046 2.805 1.00 0.00 O ATOM 636 CB ALA A 40 2.292 -2.398 4.568 1.00 0.00 C ATOM 0 H ALA A 40 4.112 -0.970 3.738 1.00 0.00 H new ATOM 0 HA ALA A 40 4.031 -3.629 4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.606 -3.206 4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.548 -1.843 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.815 -1.728 3.853 1.00 0.00 H new ATOM 642 N VAL A 41 3.048 -3.147 1.586 1.00 0.00 N ATOM 643 CA VAL A 41 2.806 -3.830 0.320 1.00 0.00 C ATOM 644 C VAL A 41 3.960 -4.775 0.006 1.00 0.00 C ATOM 645 O VAL A 41 3.759 -5.965 -0.240 1.00 0.00 O ATOM 646 CB VAL A 41 2.650 -2.831 -0.852 1.00 0.00 C ATOM 647 CG1 VAL A 41 2.388 -3.568 -2.154 1.00 0.00 C ATOM 648 CG2 VAL A 41 1.544 -1.827 -0.577 1.00 0.00 C ATOM 0 H VAL A 41 3.074 -2.130 1.517 1.00 0.00 H new ATOM 0 HA VAL A 41 1.876 -4.388 0.428 1.00 0.00 H new ATOM 0 HB VAL A 41 3.586 -2.281 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.281 -2.847 -2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.223 -4.235 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.471 -4.151 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.459 -1.139 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.599 -2.354 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.778 -1.266 0.328 1.00 0.00 H new ATOM 658 N THR A 42 5.171 -4.236 0.053 1.00 0.00 N ATOM 659 CA THR A 42 6.370 -4.995 -0.271 1.00 0.00 C ATOM 660 C THR A 42 6.537 -6.197 0.662 1.00 0.00 C ATOM 661 O THR A 42 6.983 -7.269 0.242 1.00 0.00 O ATOM 662 CB THR A 42 7.621 -4.098 -0.184 1.00 0.00 C ATOM 663 OG1 THR A 42 7.449 -2.941 -1.013 1.00 0.00 O ATOM 664 CG2 THR A 42 8.869 -4.852 -0.620 1.00 0.00 C ATOM 0 H THR A 42 5.349 -3.266 0.315 1.00 0.00 H new ATOM 0 HA THR A 42 6.259 -5.360 -1.292 1.00 0.00 H new ATOM 0 HB THR A 42 7.747 -3.793 0.855 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.819 -2.324 -0.586 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.735 -4.194 -0.548 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.016 -5.717 0.026 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.751 -5.185 -1.651 1.00 0.00 H new ATOM 672 N ASN A 43 6.154 -6.018 1.921 1.00 0.00 N ATOM 673 CA ASN A 43 6.313 -7.061 2.928 1.00 0.00 C ATOM 674 C ASN A 43 5.459 -8.286 2.600 1.00 0.00 C ATOM 675 O ASN A 43 5.895 -9.423 2.795 1.00 0.00 O ATOM 676 CB ASN A 43 5.958 -6.527 4.321 1.00 0.00 C ATOM 677 CG ASN A 43 6.311 -7.508 5.425 1.00 0.00 C ATOM 678 OD1 ASN A 43 7.240 -8.302 5.292 1.00 0.00 O ATOM 679 ND2 ASN A 43 5.576 -7.454 6.526 1.00 0.00 N ATOM 0 H ASN A 43 5.730 -5.158 2.270 1.00 0.00 H new ATOM 0 HA ASN A 43 7.359 -7.366 2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.484 -5.588 4.492 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.891 -6.307 4.362 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.773 -8.086 7.302 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.813 -6.780 6.598 1.00 0.00 H new ATOM 686 N ILE A 44 4.250 -8.067 2.090 1.00 0.00 N ATOM 687 CA ILE A 44 3.368 -9.181 1.774 1.00 0.00 C ATOM 688 C ILE A 44 3.661 -9.740 0.380 1.00 0.00 C ATOM 689 O ILE A 44 3.421 -10.915 0.111 1.00 0.00 O ATOM 690 CB ILE A 44 1.867 -8.818 1.920 1.00 0.00 C ATOM 691 CG1 ILE A 44 1.015 -10.087 1.837 1.00 0.00 C ATOM 692 CG2 ILE A 44 1.432 -7.808 0.866 1.00 0.00 C ATOM 693 CD1 ILE A 44 -0.449 -9.868 2.147 1.00 0.00 C ATOM 0 H ILE A 44 3.865 -7.144 1.890 1.00 0.00 H new ATOM 0 HA ILE A 44 3.577 -9.958 2.509 1.00 0.00 H new ATOM 0 HB ILE A 44 1.721 -8.354 2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.105 -10.507 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.416 -10.827 2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.375 -7.577 0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.019 -6.896 0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.590 -8.228 -0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.984 -10.815 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.552 -9.478 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.868 -9.153 1.439 1.00 0.00 H new ATOM 705 N ILE A 45 4.212 -8.906 -0.500 1.00 0.00 N ATOM 706 CA ILE A 45 4.661 -9.377 -1.808 1.00 0.00 C ATOM 707 C ILE A 45 5.815 -10.362 -1.634 1.00 0.00 C ATOM 708 O ILE A 45 5.978 -11.296 -2.418 1.00 0.00 O ATOM 709 CB ILE A 45 5.104 -8.209 -2.722 1.00 0.00 C ATOM 710 CG1 ILE A 45 3.912 -7.304 -3.044 1.00 0.00 C ATOM 711 CG2 ILE A 45 5.738 -8.731 -4.009 1.00 0.00 C ATOM 712 CD1 ILE A 45 4.272 -6.106 -3.901 1.00 0.00 C ATOM 0 H ILE A 45 4.357 -7.910 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 45 3.818 -9.873 -2.289 1.00 0.00 H new ATOM 0 HB ILE A 45 5.854 -7.626 -2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.150 -7.891 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.471 -6.953 -2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.040 -7.890 -4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.612 -9.334 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.015 -9.342 -4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.378 -5.511 -4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.012 -5.496 -3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.685 -6.448 -4.850 1.00 0.00 H new ATOM 724 N ALA A 46 6.593 -10.163 -0.576 1.00 0.00 N ATOM 725 CA ALA A 46 7.703 -11.052 -0.259 1.00 0.00 C ATOM 726 C ALA A 46 7.200 -12.375 0.319 1.00 0.00 C ATOM 727 O ALA A 46 7.971 -13.313 0.515 1.00 0.00 O ATOM 728 CB ALA A 46 8.656 -10.375 0.709 1.00 0.00 C ATOM 0 H ALA A 46 6.474 -9.390 0.079 1.00 0.00 H new ATOM 0 HA ALA A 46 8.238 -11.273 -1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.481 -11.049 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.047 -9.463 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.125 -10.126 1.628 1.00 0.00 H new ATOM 734 N GLN A 47 5.904 -12.441 0.593 1.00 0.00 N ATOM 735 CA GLN A 47 5.283 -13.671 1.063 1.00 0.00 C ATOM 736 C GLN A 47 4.754 -14.457 -0.131 1.00 0.00 C ATOM 737 O GLN A 47 4.352 -15.617 -0.011 1.00 0.00 O ATOM 738 CB GLN A 47 4.154 -13.361 2.048 1.00 0.00 C ATOM 739 CG GLN A 47 4.604 -12.525 3.237 1.00 0.00 C ATOM 740 CD GLN A 47 3.462 -12.158 4.163 1.00 0.00 C ATOM 741 OE1 GLN A 47 2.498 -12.905 4.307 1.00 0.00 O ATOM 742 NE2 GLN A 47 3.562 -10.998 4.792 1.00 0.00 N ATOM 0 H GLN A 47 5.261 -11.655 0.497 1.00 0.00 H new ATOM 0 HA GLN A 47 6.027 -14.272 1.586 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.358 -12.834 1.523 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.731 -14.298 2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.358 -13.077 3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.080 -11.613 2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.380 -10.407 4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.821 -10.695 5.424 1.00 0.00 H new ATOM 751 N VAL A 48 4.772 -13.803 -1.283 1.00 0.00 N ATOM 752 CA VAL A 48 4.360 -14.407 -2.539 1.00 0.00 C ATOM 753 C VAL A 48 5.581 -14.996 -3.243 1.00 0.00 C ATOM 754 O VAL A 48 6.661 -14.402 -3.205 1.00 0.00 O ATOM 755 CB VAL A 48 3.687 -13.352 -3.453 1.00 0.00 C ATOM 756 CG1 VAL A 48 3.161 -13.971 -4.741 1.00 0.00 C ATOM 757 CG2 VAL A 48 2.569 -12.642 -2.706 1.00 0.00 C ATOM 0 H VAL A 48 5.075 -12.833 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 48 3.639 -15.198 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 48 4.448 -12.622 -3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.697 -13.198 -5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.986 -14.423 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.423 -14.736 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.106 -11.904 -3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.821 -13.370 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.978 -12.142 -1.828 1.00 0.00 H new ATOM 767 N PRO A 49 5.442 -16.184 -3.859 1.00 0.00 N ATOM 768 CA PRO A 49 6.522 -16.809 -4.632 1.00 0.00 C ATOM 769 C PRO A 49 7.120 -15.862 -5.674 1.00 0.00 C ATOM 770 O PRO A 49 6.392 -15.119 -6.342 1.00 0.00 O ATOM 771 CB PRO A 49 5.831 -17.989 -5.317 1.00 0.00 C ATOM 772 CG PRO A 49 4.689 -18.326 -4.424 1.00 0.00 C ATOM 773 CD PRO A 49 4.228 -17.025 -3.831 1.00 0.00 C ATOM 0 HA PRO A 49 7.361 -17.097 -3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.487 -17.721 -6.316 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.509 -18.835 -5.429 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.886 -18.806 -4.983 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.996 -19.023 -3.644 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.420 -16.583 -4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.854 -17.157 -2.816 1.00 0.00 H new ATOM 781 N GLU A 50 8.445 -15.904 -5.811 1.00 0.00 N ATOM 782 CA GLU A 50 9.172 -15.018 -6.720 1.00 0.00 C ATOM 783 C GLU A 50 8.667 -15.130 -8.155 1.00 0.00 C ATOM 784 O GLU A 50 8.778 -14.178 -8.929 1.00 0.00 O ATOM 785 CB GLU A 50 10.671 -15.316 -6.681 1.00 0.00 C ATOM 786 CG GLU A 50 11.326 -14.983 -5.353 1.00 0.00 C ATOM 787 CD GLU A 50 12.827 -15.177 -5.380 1.00 0.00 C ATOM 788 OE1 GLU A 50 13.540 -14.282 -5.881 1.00 0.00 O ATOM 789 OE2 GLU A 50 13.302 -16.218 -4.883 1.00 0.00 O ATOM 0 H GLU A 50 9.043 -16.551 -5.297 1.00 0.00 H new ATOM 0 HA GLU A 50 8.994 -13.999 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.828 -16.373 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.165 -14.751 -7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.102 -13.949 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.896 -15.611 -4.572 1.00 0.00 H new ATOM 796 N SER A 51 8.110 -16.289 -8.493 1.00 0.00 N ATOM 797 CA SER A 51 7.576 -16.548 -9.825 1.00 0.00 C ATOM 798 C SER A 51 6.675 -15.404 -10.297 1.00 0.00 C ATOM 799 O SER A 51 6.748 -14.985 -11.450 1.00 0.00 O ATOM 800 CB SER A 51 6.799 -17.870 -9.816 1.00 0.00 C ATOM 801 OG SER A 51 6.419 -18.276 -11.123 1.00 0.00 O ATOM 0 H SER A 51 8.016 -17.075 -7.850 1.00 0.00 H new ATOM 0 HA SER A 51 8.410 -16.620 -10.524 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.412 -18.647 -9.360 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.908 -17.762 -9.197 1.00 0.00 H new ATOM 0 HG SER A 51 5.928 -19.123 -11.073 1.00 0.00 H new ATOM 807 N LYS A 52 5.854 -14.875 -9.397 1.00 0.00 N ATOM 808 CA LYS A 52 4.907 -13.831 -9.768 1.00 0.00 C ATOM 809 C LYS A 52 5.082 -12.566 -8.928 1.00 0.00 C ATOM 810 O LYS A 52 4.209 -11.702 -8.934 1.00 0.00 O ATOM 811 CB LYS A 52 3.467 -14.342 -9.648 1.00 0.00 C ATOM 812 CG LYS A 52 3.171 -15.043 -8.333 1.00 0.00 C ATOM 813 CD LYS A 52 1.678 -15.274 -8.148 1.00 0.00 C ATOM 814 CE LYS A 52 1.073 -16.071 -9.297 1.00 0.00 C ATOM 815 NZ LYS A 52 1.663 -17.430 -9.417 1.00 0.00 N ATOM 0 H LYS A 52 5.825 -15.149 -8.415 1.00 0.00 H new ATOM 0 HA LYS A 52 5.113 -13.570 -10.806 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.783 -13.501 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.266 -15.031 -10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.695 -15.999 -8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.553 -14.444 -7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.507 -15.804 -7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.170 -14.313 -8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.003 -16.157 -9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.224 -15.529 -10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.173 -17.956 -10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.673 -17.350 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.557 -17.935 -8.514 1.00 0.00 H new ATOM 829 N ARG A 53 6.213 -12.440 -8.231 1.00 0.00 N ATOM 830 CA ARG A 53 6.474 -11.235 -7.434 1.00 0.00 C ATOM 831 C ARG A 53 6.510 -9.999 -8.325 1.00 0.00 C ATOM 832 O ARG A 53 5.978 -8.950 -7.971 1.00 0.00 O ATOM 833 CB ARG A 53 7.794 -11.338 -6.662 1.00 0.00 C ATOM 834 CG ARG A 53 7.720 -12.185 -5.403 1.00 0.00 C ATOM 835 CD ARG A 53 9.012 -12.087 -4.606 1.00 0.00 C ATOM 836 NE ARG A 53 8.988 -12.927 -3.408 1.00 0.00 N ATOM 837 CZ ARG A 53 10.035 -13.104 -2.598 1.00 0.00 C ATOM 838 NH1 ARG A 53 11.191 -12.496 -2.852 1.00 0.00 N ATOM 839 NH2 ARG A 53 9.930 -13.887 -1.536 1.00 0.00 N ATOM 0 H ARG A 53 6.952 -13.142 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 53 5.659 -11.146 -6.715 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.555 -11.755 -7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.122 -10.334 -6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.883 -11.856 -4.788 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.531 -13.225 -5.670 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.850 -12.382 -5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.181 -11.050 -4.317 1.00 0.00 H new ATOM 0 HE ARG A 53 8.118 -13.407 -3.177 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.281 -11.891 -3.669 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.988 -12.635 -2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.048 -14.357 -1.334 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.731 -14.020 -0.919 1.00 0.00 H new ATOM 853 N VAL A 54 7.126 -10.139 -9.489 1.00 0.00 N ATOM 854 CA VAL A 54 7.225 -9.037 -10.434 1.00 0.00 C ATOM 855 C VAL A 54 5.854 -8.719 -11.028 1.00 0.00 C ATOM 856 O VAL A 54 5.502 -7.557 -11.223 1.00 0.00 O ATOM 857 CB VAL A 54 8.218 -9.357 -11.572 1.00 0.00 C ATOM 858 CG1 VAL A 54 8.389 -8.161 -12.496 1.00 0.00 C ATOM 859 CG2 VAL A 54 9.562 -9.784 -11.003 1.00 0.00 C ATOM 0 H VAL A 54 7.565 -11.005 -9.802 1.00 0.00 H new ATOM 0 HA VAL A 54 7.595 -8.169 -9.887 1.00 0.00 H new ATOM 0 HB VAL A 54 7.809 -10.182 -12.155 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.093 -8.412 -13.289 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.426 -7.900 -12.935 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.770 -7.313 -11.927 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.249 -10.006 -11.820 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.971 -8.979 -10.393 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.430 -10.674 -10.388 1.00 0.00 H new ATOM 869 N ALA A 55 5.079 -9.763 -11.289 1.00 0.00 N ATOM 870 CA ALA A 55 3.752 -9.609 -11.872 1.00 0.00 C ATOM 871 C ALA A 55 2.806 -8.874 -10.926 1.00 0.00 C ATOM 872 O ALA A 55 2.109 -7.942 -11.334 1.00 0.00 O ATOM 873 CB ALA A 55 3.184 -10.971 -12.241 1.00 0.00 C ATOM 0 H ALA A 55 5.347 -10.730 -11.105 1.00 0.00 H new ATOM 0 HA ALA A 55 3.848 -9.006 -12.775 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.192 -10.846 -12.676 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.840 -11.454 -12.965 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.113 -11.590 -11.347 1.00 0.00 H new ATOM 879 N VAL A 56 2.790 -9.281 -9.662 1.00 0.00 N ATOM 880 CA VAL A 56 1.864 -8.704 -8.693 1.00 0.00 C ATOM 881 C VAL A 56 2.200 -7.245 -8.384 1.00 0.00 C ATOM 882 O VAL A 56 1.299 -6.419 -8.230 1.00 0.00 O ATOM 883 CB VAL A 56 1.800 -9.517 -7.377 1.00 0.00 C ATOM 884 CG1 VAL A 56 1.244 -10.907 -7.638 1.00 0.00 C ATOM 885 CG2 VAL A 56 3.163 -9.604 -6.707 1.00 0.00 C ATOM 0 H VAL A 56 3.403 -10.004 -9.285 1.00 0.00 H new ATOM 0 HA VAL A 56 0.881 -8.745 -9.162 1.00 0.00 H new ATOM 0 HB VAL A 56 1.130 -8.993 -6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.206 -11.465 -6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.239 -10.825 -8.053 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.887 -11.429 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.080 -10.182 -5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.868 -10.092 -7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.519 -8.600 -6.475 1.00 0.00 H new ATOM 895 N VAL A 57 3.489 -6.916 -8.318 1.00 0.00 N ATOM 896 CA VAL A 57 3.895 -5.554 -7.992 1.00 0.00 C ATOM 897 C VAL A 57 3.684 -4.617 -9.180 1.00 0.00 C ATOM 898 O VAL A 57 3.350 -3.446 -9.001 1.00 0.00 O ATOM 899 CB VAL A 57 5.367 -5.475 -7.506 1.00 0.00 C ATOM 900 CG1 VAL A 57 6.345 -5.868 -8.603 1.00 0.00 C ATOM 901 CG2 VAL A 57 5.684 -4.080 -6.981 1.00 0.00 C ATOM 0 H VAL A 57 4.259 -7.565 -8.484 1.00 0.00 H new ATOM 0 HA VAL A 57 3.258 -5.231 -7.168 1.00 0.00 H new ATOM 0 HB VAL A 57 5.482 -6.191 -6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.364 -5.800 -8.223 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.144 -6.891 -8.920 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.228 -5.195 -9.453 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.720 -4.045 -6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.535 -3.349 -7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.024 -3.847 -6.146 1.00 0.00 H new ATOM 911 N ASP A 58 3.843 -5.137 -10.394 1.00 0.00 N ATOM 912 CA ASP A 58 3.687 -4.312 -11.587 1.00 0.00 C ATOM 913 C ASP A 58 2.212 -4.035 -11.854 1.00 0.00 C ATOM 914 O ASP A 58 1.848 -2.960 -12.328 1.00 0.00 O ATOM 915 CB ASP A 58 4.329 -4.973 -12.809 1.00 0.00 C ATOM 916 CG ASP A 58 4.808 -3.947 -13.820 1.00 0.00 C ATOM 917 OD1 ASP A 58 3.998 -3.488 -14.651 1.00 0.00 O ATOM 918 OD2 ASP A 58 6.000 -3.572 -13.766 1.00 0.00 O ATOM 0 H ASP A 58 4.077 -6.113 -10.576 1.00 0.00 H new ATOM 0 HA ASP A 58 4.198 -3.367 -11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.170 -5.588 -12.489 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.608 -5.640 -13.282 1.00 0.00 H new ATOM 923 N ASN A 59 1.358 -5.000 -11.532 1.00 0.00 N ATOM 924 CA ASN A 59 -0.086 -4.798 -11.632 1.00 0.00 C ATOM 925 C ASN A 59 -0.556 -3.815 -10.569 1.00 0.00 C ATOM 926 O ASN A 59 -1.496 -3.046 -10.786 1.00 0.00 O ATOM 927 CB ASN A 59 -0.842 -6.123 -11.494 1.00 0.00 C ATOM 928 CG ASN A 59 -0.975 -6.868 -12.808 1.00 0.00 C ATOM 929 OD1 ASN A 59 -1.943 -6.678 -13.548 1.00 0.00 O ATOM 930 ND2 ASN A 59 -0.014 -7.725 -13.108 1.00 0.00 N ATOM 0 H ASN A 59 1.636 -5.924 -11.202 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.300 -4.386 -12.618 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.325 -6.757 -10.774 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.836 -5.928 -11.091 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.058 -8.256 -13.978 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.771 -7.855 -12.470 1.00 0.00 H new ATOM 937 N PHE A 60 0.113 -3.842 -9.423 1.00 0.00 N ATOM 938 CA PHE A 60 -0.178 -2.917 -8.337 1.00 0.00 C ATOM 939 C PHE A 60 0.155 -1.492 -8.765 1.00 0.00 C ATOM 940 O PHE A 60 -0.664 -0.583 -8.640 1.00 0.00 O ATOM 941 CB PHE A 60 0.640 -3.292 -7.098 1.00 0.00 C ATOM 942 CG PHE A 60 0.216 -2.580 -5.844 1.00 0.00 C ATOM 943 CD1 PHE A 60 -0.853 -3.046 -5.095 1.00 0.00 C ATOM 944 CD2 PHE A 60 0.888 -1.449 -5.414 1.00 0.00 C ATOM 945 CE1 PHE A 60 -1.240 -2.396 -3.940 1.00 0.00 C ATOM 946 CE2 PHE A 60 0.503 -0.795 -4.262 1.00 0.00 C ATOM 947 CZ PHE A 60 -0.562 -1.268 -3.525 1.00 0.00 C ATOM 0 H PHE A 60 0.866 -4.500 -9.222 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.239 -2.978 -8.095 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.562 -4.367 -6.936 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.691 -3.073 -7.290 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.389 -3.926 -5.418 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.723 -1.074 -5.987 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.072 -2.770 -3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.035 0.087 -3.938 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.865 -0.756 -2.624 1.00 0.00 H new ATOM 957 N THR A 61 1.363 -1.316 -9.292 1.00 0.00 N ATOM 958 CA THR A 61 1.822 -0.014 -9.747 1.00 0.00 C ATOM 959 C THR A 61 0.997 0.469 -10.939 1.00 0.00 C ATOM 960 O THR A 61 0.781 1.673 -11.117 1.00 0.00 O ATOM 961 CB THR A 61 3.322 -0.058 -10.113 1.00 0.00 C ATOM 962 OG1 THR A 61 3.591 -1.127 -11.029 1.00 0.00 O ATOM 963 CG2 THR A 61 4.171 -0.249 -8.863 1.00 0.00 C ATOM 0 H THR A 61 2.043 -2.066 -9.414 1.00 0.00 H new ATOM 0 HA THR A 61 1.688 0.693 -8.928 1.00 0.00 H new ATOM 0 HB THR A 61 3.577 0.891 -10.584 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.751 -1.571 -11.269 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.225 -0.278 -9.140 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.999 0.580 -8.176 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.898 -1.186 -8.377 1.00 0.00 H new ATOM 971 N LYS A 62 0.538 -0.484 -11.743 1.00 0.00 N ATOM 972 CA LYS A 62 -0.360 -0.208 -12.857 1.00 0.00 C ATOM 973 C LYS A 62 -1.634 0.479 -12.368 1.00 0.00 C ATOM 974 O LYS A 62 -1.967 1.580 -12.808 1.00 0.00 O ATOM 975 CB LYS A 62 -0.714 -1.523 -13.557 1.00 0.00 C ATOM 976 CG LYS A 62 -1.811 -1.407 -14.602 1.00 0.00 C ATOM 977 CD LYS A 62 -2.348 -2.779 -14.971 1.00 0.00 C ATOM 978 CE LYS A 62 -3.535 -2.685 -15.914 1.00 0.00 C ATOM 979 NZ LYS A 62 -4.181 -4.006 -16.115 1.00 0.00 N ATOM 0 H LYS A 62 0.779 -1.470 -11.640 1.00 0.00 H new ATOM 0 HA LYS A 62 0.141 0.460 -13.557 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.183 -1.919 -14.033 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.022 -2.249 -12.804 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.620 -0.785 -14.219 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.422 -0.912 -15.492 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.557 -3.365 -15.439 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.644 -3.309 -14.066 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.264 -1.981 -15.513 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.206 -2.291 -16.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.987 -3.903 -16.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.492 -4.671 -16.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.517 -4.371 -15.201 1.00 0.00 H new ATOM 993 N ALA A 63 -2.329 -0.181 -11.444 1.00 0.00 N ATOM 994 CA ALA A 63 -3.599 0.314 -10.924 1.00 0.00 C ATOM 995 C ALA A 63 -3.441 1.688 -10.280 1.00 0.00 C ATOM 996 O ALA A 63 -4.280 2.566 -10.468 1.00 0.00 O ATOM 997 CB ALA A 63 -4.181 -0.673 -9.924 1.00 0.00 C ATOM 0 H ALA A 63 -2.029 -1.067 -11.038 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.286 0.416 -11.764 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.128 -0.290 -9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.347 -1.632 -10.414 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.485 -0.805 -9.096 1.00 0.00 H new ATOM 1003 N LEU A 64 -2.353 1.865 -9.535 1.00 0.00 N ATOM 1004 CA LEU A 64 -2.074 3.134 -8.873 1.00 0.00 C ATOM 1005 C LEU A 64 -2.052 4.285 -9.870 1.00 0.00 C ATOM 1006 O LEU A 64 -2.820 5.236 -9.741 1.00 0.00 O ATOM 1007 CB LEU A 64 -0.743 3.061 -8.125 1.00 0.00 C ATOM 1008 CG LEU A 64 -0.764 2.237 -6.839 1.00 0.00 C ATOM 1009 CD1 LEU A 64 0.643 2.069 -6.300 1.00 0.00 C ATOM 1010 CD2 LEU A 64 -1.654 2.902 -5.802 1.00 0.00 C ATOM 0 H LEU A 64 -1.650 1.144 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.875 3.321 -8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.009 2.642 -8.794 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.425 4.075 -7.883 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.170 1.250 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.614 1.480 -5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.258 1.557 -7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.071 3.049 -6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.660 2.304 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.272 3.898 -5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.669 2.981 -6.191 1.00 0.00 H new ATOM 1022 N LYS A 65 -1.192 4.183 -10.879 1.00 0.00 N ATOM 1023 CA LYS A 65 -1.054 5.243 -11.874 1.00 0.00 C ATOM 1024 C LYS A 65 -2.381 5.552 -12.556 1.00 0.00 C ATOM 1025 O LYS A 65 -2.701 6.714 -12.807 1.00 0.00 O ATOM 1026 CB LYS A 65 -0.014 4.858 -12.926 1.00 0.00 C ATOM 1027 CG LYS A 65 1.421 4.999 -12.448 1.00 0.00 C ATOM 1028 CD LYS A 65 2.407 4.472 -13.482 1.00 0.00 C ATOM 1029 CE LYS A 65 3.847 4.754 -13.080 1.00 0.00 C ATOM 1030 NZ LYS A 65 4.183 6.199 -13.183 1.00 0.00 N ATOM 0 H LYS A 65 -0.582 3.380 -11.030 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.724 6.139 -11.348 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.185 3.826 -13.233 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.156 5.481 -13.809 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.635 6.047 -12.240 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.549 4.456 -11.512 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.267 3.398 -13.604 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.202 4.932 -14.448 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.010 4.416 -12.057 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.520 4.179 -13.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.216 6.315 -13.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.775 6.589 -14.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.793 6.705 -12.363 1.00 0.00 H new ATOM 1044 N GLN A 66 -3.155 4.513 -12.833 1.00 0.00 N ATOM 1045 CA GLN A 66 -4.415 4.670 -13.546 1.00 0.00 C ATOM 1046 C GLN A 66 -5.467 5.364 -12.686 1.00 0.00 C ATOM 1047 O GLN A 66 -6.271 6.140 -13.197 1.00 0.00 O ATOM 1048 CB GLN A 66 -4.929 3.313 -14.032 1.00 0.00 C ATOM 1049 CG GLN A 66 -4.008 2.663 -15.050 1.00 0.00 C ATOM 1050 CD GLN A 66 -4.563 1.376 -15.626 1.00 0.00 C ATOM 1051 OE1 GLN A 66 -5.288 0.634 -14.961 1.00 0.00 O ATOM 1052 NE2 GLN A 66 -4.229 1.110 -16.877 1.00 0.00 N ATOM 0 H GLN A 66 -2.933 3.552 -12.575 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.227 5.305 -14.412 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.045 2.647 -13.177 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.917 3.441 -14.473 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.822 3.366 -15.862 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.046 2.457 -14.580 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.626 1.752 -17.391 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.574 0.263 -17.328 1.00 0.00 H new ATOM 1061 N SER A 67 -5.449 5.108 -11.384 1.00 0.00 N ATOM 1062 CA SER A 67 -6.454 5.671 -10.493 1.00 0.00 C ATOM 1063 C SER A 67 -6.019 7.040 -9.956 1.00 0.00 C ATOM 1064 O SER A 67 -6.812 7.760 -9.341 1.00 0.00 O ATOM 1065 CB SER A 67 -6.732 4.705 -9.338 1.00 0.00 C ATOM 1066 OG SER A 67 -7.905 5.073 -8.625 1.00 0.00 O ATOM 0 H SER A 67 -4.755 4.519 -10.925 1.00 0.00 H new ATOM 0 HA SER A 67 -7.371 5.816 -11.064 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.843 3.693 -9.727 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.880 4.693 -8.658 1.00 0.00 H new ATOM 0 HG SER A 67 -8.011 6.047 -8.650 1.00 0.00 H new ATOM 1072 N VAL A 68 -4.762 7.393 -10.178 1.00 0.00 N ATOM 1073 CA VAL A 68 -4.259 8.698 -9.766 1.00 0.00 C ATOM 1074 C VAL A 68 -4.381 9.711 -10.900 1.00 0.00 C ATOM 1075 O VAL A 68 -4.809 10.846 -10.683 1.00 0.00 O ATOM 1076 CB VAL A 68 -2.793 8.624 -9.291 1.00 0.00 C ATOM 1077 CG1 VAL A 68 -2.229 10.016 -9.044 1.00 0.00 C ATOM 1078 CG2 VAL A 68 -2.689 7.784 -8.027 1.00 0.00 C ATOM 0 H VAL A 68 -4.073 6.799 -10.639 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.873 9.024 -8.927 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.205 8.152 -10.079 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.195 9.935 -8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.268 10.594 -9.968 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.820 10.517 -8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.649 7.741 -7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.295 8.233 -7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.048 6.775 -8.230 1.00 0.00 H new ATOM 1088 N LEU A 69 -4.005 9.296 -12.106 1.00 0.00 N ATOM 1089 CA LEU A 69 -4.113 10.165 -13.274 1.00 0.00 C ATOM 1090 C LEU A 69 -5.578 10.439 -13.592 1.00 0.00 C ATOM 1091 O LEU A 69 -5.952 11.558 -13.950 1.00 0.00 O ATOM 1092 CB LEU A 69 -3.408 9.537 -14.480 1.00 0.00 C ATOM 1093 CG LEU A 69 -1.895 9.349 -14.321 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -1.302 8.693 -15.557 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -1.217 10.683 -14.046 1.00 0.00 C ATOM 0 H LEU A 69 -3.625 8.369 -12.300 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.623 11.112 -13.049 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.860 8.566 -14.681 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.591 10.161 -15.355 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.720 8.692 -13.469 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.227 8.569 -15.423 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.764 7.717 -15.708 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.489 9.322 -16.428 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.143 10.530 -13.936 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.403 11.364 -14.877 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.618 11.113 -13.128 1.00 0.00 H new ATOM 1107 N GLU A 70 -6.400 9.412 -13.452 1.00 0.00 N ATOM 1108 CA GLU A 70 -7.835 9.563 -13.581 1.00 0.00 C ATOM 1109 C GLU A 70 -8.517 8.938 -12.371 1.00 0.00 C ATOM 1110 O GLU A 70 -8.503 7.721 -12.190 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.343 8.936 -14.882 1.00 0.00 C ATOM 1112 CG GLU A 70 -9.837 9.119 -15.091 1.00 0.00 C ATOM 1113 CD GLU A 70 -10.273 10.557 -14.894 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -10.480 10.966 -13.731 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -10.402 11.292 -15.896 1.00 0.00 O ATOM 0 H GLU A 70 -6.093 8.461 -13.248 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.077 10.625 -13.620 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.808 9.377 -15.723 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.111 7.871 -14.879 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.103 8.795 -16.097 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.380 8.478 -14.396 1.00 0.00 H new ATOM 1122 N HIS A 71 -9.102 9.784 -11.541 1.00 0.00 N ATOM 1123 CA HIS A 71 -9.650 9.347 -10.269 1.00 0.00 C ATOM 1124 C HIS A 71 -11.177 9.375 -10.289 1.00 0.00 C ATOM 1125 O HIS A 71 -11.828 8.921 -9.346 1.00 0.00 O ATOM 1126 CB HIS A 71 -9.107 10.241 -9.151 1.00 0.00 C ATOM 1127 CG HIS A 71 -9.314 9.692 -7.773 1.00 0.00 C ATOM 1128 ND1 HIS A 71 -8.617 8.611 -7.288 1.00 0.00 N ATOM 1129 CD2 HIS A 71 -10.138 10.087 -6.774 1.00 0.00 C ATOM 1130 CE1 HIS A 71 -8.999 8.363 -6.050 1.00 0.00 C ATOM 1131 NE2 HIS A 71 -9.922 9.245 -5.711 1.00 0.00 N ATOM 0 H HIS A 71 -9.210 10.781 -11.726 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.344 8.316 -10.088 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.040 10.397 -9.312 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.586 11.218 -9.217 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -7.914 8.083 -7.805 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.835 10.911 -6.807 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -8.621 7.572 -5.420 1.00 0.00 H new ATOM 1140 N HIS A 72 -11.737 9.909 -11.366 1.00 0.00 N ATOM 1141 CA HIS A 72 -13.185 10.004 -11.528 1.00 0.00 C ATOM 1142 C HIS A 72 -13.481 10.515 -12.928 1.00 0.00 C ATOM 1143 O HIS A 72 -13.974 9.781 -13.785 1.00 0.00 O ATOM 1144 CB HIS A 72 -13.792 10.949 -10.480 1.00 0.00 C ATOM 1145 CG HIS A 72 -15.285 10.862 -10.364 1.00 0.00 C ATOM 1146 ND1 HIS A 72 -16.142 11.827 -10.848 1.00 0.00 N ATOM 1147 CD2 HIS A 72 -16.072 9.926 -9.782 1.00 0.00 C ATOM 1148 CE1 HIS A 72 -17.386 11.489 -10.565 1.00 0.00 C ATOM 1149 NE2 HIS A 72 -17.375 10.339 -9.917 1.00 0.00 N ATOM 0 H HIS A 72 -11.205 10.287 -12.150 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.631 9.020 -11.386 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -13.350 10.728 -9.509 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -13.517 11.974 -10.729 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -15.736 9.020 -9.300 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -18.267 12.059 -10.821 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -18.196 9.841 -9.574 1.00 0.00 H new ATOM 1158 N HIS A 73 -13.161 11.781 -13.141 1.00 0.00 N ATOM 1159 CA HIS A 73 -13.166 12.383 -14.464 1.00 0.00 C ATOM 1160 C HIS A 73 -12.473 13.733 -14.390 1.00 0.00 C ATOM 1161 O HIS A 73 -13.080 14.732 -13.999 1.00 0.00 O ATOM 1162 CB HIS A 73 -14.585 12.531 -15.025 1.00 0.00 C ATOM 1163 CG HIS A 73 -14.601 12.945 -16.465 1.00 0.00 C ATOM 1164 ND1 HIS A 73 -14.381 12.063 -17.501 1.00 0.00 N ATOM 1165 CD2 HIS A 73 -14.797 14.153 -17.040 1.00 0.00 C ATOM 1166 CE1 HIS A 73 -14.437 12.711 -18.646 1.00 0.00 C ATOM 1167 NE2 HIS A 73 -14.689 13.979 -18.396 1.00 0.00 N ATOM 0 H HIS A 73 -12.889 12.423 -12.397 1.00 0.00 H new ATOM 0 HA HIS A 73 -12.629 11.725 -15.147 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -15.113 11.584 -14.918 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -15.129 13.268 -14.434 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.001 15.081 -16.527 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -14.299 12.276 -19.625 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -14.788 14.713 -19.097 1.00 0.00 H new ATOM 1176 N HIS A 74 -11.189 13.738 -14.725 1.00 0.00 N ATOM 1177 CA HIS A 74 -10.359 14.934 -14.615 1.00 0.00 C ATOM 1178 C HIS A 74 -10.969 16.110 -15.377 1.00 0.00 C ATOM 1179 O HIS A 74 -11.398 15.975 -16.525 1.00 0.00 O ATOM 1180 CB HIS A 74 -8.923 14.659 -15.100 1.00 0.00 C ATOM 1181 CG HIS A 74 -8.791 14.361 -16.566 1.00 0.00 C ATOM 1182 ND1 HIS A 74 -9.131 13.149 -17.122 1.00 0.00 N ATOM 1183 CD2 HIS A 74 -8.334 15.123 -17.588 1.00 0.00 C ATOM 1184 CE1 HIS A 74 -8.891 13.177 -18.415 1.00 0.00 C ATOM 1185 NE2 HIS A 74 -8.408 14.363 -18.729 1.00 0.00 N ATOM 0 H HIS A 74 -10.695 12.919 -15.079 1.00 0.00 H new ATOM 0 HA HIS A 74 -10.317 15.205 -13.560 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -8.305 15.525 -14.864 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -8.521 13.817 -14.536 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -9.510 12.352 -16.611 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -7.977 16.140 -17.518 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.061 12.364 -19.105 1.00 0.00 H new ATOM 1194 N HIS A 75 -11.010 17.256 -14.714 1.00 0.00 N ATOM 1195 CA HIS A 75 -11.586 18.466 -15.285 1.00 0.00 C ATOM 1196 C HIS A 75 -10.615 19.087 -16.282 1.00 0.00 C ATOM 1197 O HIS A 75 -9.402 18.992 -16.109 1.00 0.00 O ATOM 1198 CB HIS A 75 -11.909 19.469 -14.168 1.00 0.00 C ATOM 1199 CG HIS A 75 -12.608 20.716 -14.630 1.00 0.00 C ATOM 1200 ND1 HIS A 75 -11.946 21.882 -14.953 1.00 0.00 N ATOM 1201 CD2 HIS A 75 -13.922 20.971 -14.818 1.00 0.00 C ATOM 1202 CE1 HIS A 75 -12.824 22.798 -15.314 1.00 0.00 C ATOM 1203 NE2 HIS A 75 -14.029 22.273 -15.240 1.00 0.00 N ATOM 0 H HIS A 75 -10.647 17.374 -13.768 1.00 0.00 H new ATOM 0 HA HIS A 75 -12.508 18.208 -15.807 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.531 18.974 -13.422 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.981 19.751 -13.672 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -14.737 20.279 -14.665 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -12.593 23.808 -15.619 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -14.900 22.755 -15.460 1.00 0.00 H new ATOM 1212 N HIS A 76 -11.152 19.693 -17.330 1.00 0.00 N ATOM 1213 CA HIS A 76 -10.326 20.408 -18.293 1.00 0.00 C ATOM 1214 C HIS A 76 -9.886 21.739 -17.703 1.00 0.00 C ATOM 1215 O HIS A 76 -10.711 22.677 -17.677 1.00 0.00 O ATOM 1216 CB HIS A 76 -11.081 20.650 -19.604 1.00 0.00 C ATOM 1217 CG HIS A 76 -11.501 19.403 -20.311 1.00 0.00 C ATOM 1218 ND1 HIS A 76 -12.751 19.244 -20.861 1.00 0.00 N ATOM 1219 CD2 HIS A 76 -10.827 18.262 -20.575 1.00 0.00 C ATOM 1220 CE1 HIS A 76 -12.830 18.060 -21.432 1.00 0.00 C ATOM 1221 NE2 HIS A 76 -11.672 17.440 -21.275 1.00 0.00 N ATOM 1222 OXT HIS A 76 -8.732 21.836 -17.244 1.00 0.00 O ATOM 0 H HIS A 76 -12.151 19.705 -17.535 1.00 0.00 H new ATOM 0 HA HIS A 76 -9.453 19.794 -18.512 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -11.966 21.250 -19.394 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -10.449 21.236 -20.271 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -9.810 18.039 -20.288 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -13.695 17.662 -21.942 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -11.446 16.506 -21.618 1.00 0.00 H new TER 1231 HIS A 76 ATOM 1232 N MET B 1 15.765 27.965 6.051 1.00 0.00 N ATOM 1233 CA MET B 1 15.935 26.690 6.778 1.00 0.00 C ATOM 1234 C MET B 1 14.857 25.701 6.360 1.00 0.00 C ATOM 1235 O MET B 1 13.666 25.968 6.526 1.00 0.00 O ATOM 1236 CB MET B 1 15.864 26.916 8.293 1.00 0.00 C ATOM 1237 CG MET B 1 16.930 27.861 8.824 1.00 0.00 C ATOM 1238 SD MET B 1 16.815 28.118 10.603 1.00 0.00 S ATOM 1239 CE MET B 1 17.155 26.466 11.207 1.00 0.00 C ATOM 0 H1 MET B 1 16.617 28.549 6.171 1.00 0.00 H new ATOM 0 H2 MET B 1 15.617 27.771 5.040 1.00 0.00 H new ATOM 0 H3 MET B 1 14.941 28.473 6.430 1.00 0.00 H new ATOM 0 HA MET B 1 16.915 26.284 6.529 1.00 0.00 H new ATOM 0 HB2 MET B 1 14.881 27.314 8.546 1.00 0.00 H new ATOM 0 HB3 MET B 1 15.959 25.955 8.799 1.00 0.00 H new ATOM 0 HG2 MET B 1 17.915 27.462 8.583 1.00 0.00 H new ATOM 0 HG3 MET B 1 16.842 28.822 8.317 1.00 0.00 H new ATOM 0 HE1 MET B 1 17.452 26.516 12.255 1.00 0.00 H new ATOM 0 HE2 MET B 1 16.259 25.852 11.112 1.00 0.00 H new ATOM 0 HE3 MET B 1 17.961 26.023 10.622 1.00 0.00 H new ATOM 1251 N PRO B 2 15.257 24.549 5.800 1.00 0.00 N ATOM 1252 CA PRO B 2 14.321 23.507 5.388 1.00 0.00 C ATOM 1253 C PRO B 2 13.830 22.680 6.572 1.00 0.00 C ATOM 1254 O PRO B 2 14.620 22.250 7.416 1.00 0.00 O ATOM 1255 CB PRO B 2 15.153 22.646 4.438 1.00 0.00 C ATOM 1256 CG PRO B 2 16.558 22.796 4.917 1.00 0.00 C ATOM 1257 CD PRO B 2 16.660 24.176 5.522 1.00 0.00 C ATOM 0 HA PRO B 2 13.419 23.916 4.932 1.00 0.00 H new ATOM 0 HB2 PRO B 2 14.834 21.604 4.467 1.00 0.00 H new ATOM 0 HB3 PRO B 2 15.049 22.982 3.406 1.00 0.00 H new ATOM 0 HG2 PRO B 2 16.800 22.030 5.654 1.00 0.00 H new ATOM 0 HG3 PRO B 2 17.263 22.680 4.094 1.00 0.00 H new ATOM 0 HD2 PRO B 2 17.259 24.169 6.433 1.00 0.00 H new ATOM 0 HD3 PRO B 2 17.131 24.879 4.835 1.00 0.00 H new ATOM 1265 N ILE B 3 12.524 22.465 6.636 1.00 0.00 N ATOM 1266 CA ILE B 3 11.938 21.669 7.706 1.00 0.00 C ATOM 1267 C ILE B 3 12.138 20.177 7.446 1.00 0.00 C ATOM 1268 O ILE B 3 11.354 19.533 6.749 1.00 0.00 O ATOM 1269 CB ILE B 3 10.436 21.989 7.909 1.00 0.00 C ATOM 1270 CG1 ILE B 3 9.680 21.972 6.574 1.00 0.00 C ATOM 1271 CG2 ILE B 3 10.278 23.339 8.596 1.00 0.00 C ATOM 1272 CD1 ILE B 3 8.189 22.218 6.706 1.00 0.00 C ATOM 0 H ILE B 3 11.851 22.829 5.962 1.00 0.00 H new ATOM 0 HA ILE B 3 12.457 21.935 8.627 1.00 0.00 H new ATOM 0 HB ILE B 3 10.005 21.216 8.545 1.00 0.00 H new ATOM 0 HG12 ILE B 3 10.106 22.730 5.917 1.00 0.00 H new ATOM 0 HG13 ILE B 3 9.837 21.007 6.091 1.00 0.00 H new ATOM 0 HG21 ILE B 3 9.219 23.555 8.734 1.00 0.00 H new ATOM 0 HG22 ILE B 3 10.773 23.313 9.567 1.00 0.00 H new ATOM 0 HG23 ILE B 3 10.729 24.116 7.979 1.00 0.00 H new ATOM 0 HD11 ILE B 3 7.727 22.190 5.719 1.00 0.00 H new ATOM 0 HD12 ILE B 3 7.747 21.446 7.335 1.00 0.00 H new ATOM 0 HD13 ILE B 3 8.020 23.195 7.158 1.00 0.00 H new ATOM 1284 N VAL B 4 13.221 19.643 7.986 1.00 0.00 N ATOM 1285 CA VAL B 4 13.554 18.244 7.792 1.00 0.00 C ATOM 1286 C VAL B 4 13.224 17.426 9.039 1.00 0.00 C ATOM 1287 O VAL B 4 13.511 17.843 10.165 1.00 0.00 O ATOM 1288 CB VAL B 4 15.048 18.072 7.419 1.00 0.00 C ATOM 1289 CG1 VAL B 4 15.959 18.645 8.497 1.00 0.00 C ATOM 1290 CG2 VAL B 4 15.383 16.611 7.159 1.00 0.00 C ATOM 0 H VAL B 4 13.885 20.159 8.563 1.00 0.00 H new ATOM 0 HA VAL B 4 12.949 17.874 6.964 1.00 0.00 H new ATOM 0 HB VAL B 4 15.221 18.632 6.500 1.00 0.00 H new ATOM 0 HG11 VAL B 4 17.000 18.508 8.204 1.00 0.00 H new ATOM 0 HG12 VAL B 4 15.753 19.708 8.620 1.00 0.00 H new ATOM 0 HG13 VAL B 4 15.776 18.129 9.440 1.00 0.00 H new ATOM 0 HG21 VAL B 4 16.438 16.520 6.899 1.00 0.00 H new ATOM 0 HG22 VAL B 4 15.178 16.026 8.055 1.00 0.00 H new ATOM 0 HG23 VAL B 4 14.773 16.239 6.336 1.00 0.00 H new ATOM 1300 N SER B 5 12.591 16.282 8.828 1.00 0.00 N ATOM 1301 CA SER B 5 12.274 15.358 9.904 1.00 0.00 C ATOM 1302 C SER B 5 11.873 14.015 9.313 1.00 0.00 C ATOM 1303 O SER B 5 11.556 13.922 8.126 1.00 0.00 O ATOM 1304 CB SER B 5 11.138 15.903 10.781 1.00 0.00 C ATOM 1305 OG SER B 5 10.868 15.032 11.871 1.00 0.00 O ATOM 0 H SER B 5 12.283 15.969 7.907 1.00 0.00 H new ATOM 0 HA SER B 5 13.157 15.237 10.531 1.00 0.00 H new ATOM 0 HB2 SER B 5 11.407 16.889 11.158 1.00 0.00 H new ATOM 0 HB3 SER B 5 10.238 16.027 10.179 1.00 0.00 H new ATOM 0 HG SER B 5 10.142 15.403 12.414 1.00 0.00 H new ATOM 1311 N LYS B 6 11.906 12.982 10.137 1.00 0.00 N ATOM 1312 CA LYS B 6 11.466 11.662 9.726 1.00 0.00 C ATOM 1313 C LYS B 6 10.644 11.030 10.842 1.00 0.00 C ATOM 1314 O LYS B 6 10.422 9.819 10.860 1.00 0.00 O ATOM 1315 CB LYS B 6 12.666 10.785 9.356 1.00 0.00 C ATOM 1316 CG LYS B 6 13.720 10.668 10.449 1.00 0.00 C ATOM 1317 CD LYS B 6 14.955 9.936 9.947 1.00 0.00 C ATOM 1318 CE LYS B 6 15.995 9.761 11.041 1.00 0.00 C ATOM 1319 NZ LYS B 6 17.228 9.097 10.534 1.00 0.00 N ATOM 0 H LYS B 6 12.235 13.034 11.101 1.00 0.00 H new ATOM 0 HA LYS B 6 10.839 11.751 8.839 1.00 0.00 H new ATOM 0 HB2 LYS B 6 12.307 9.787 9.105 1.00 0.00 H new ATOM 0 HB3 LYS B 6 13.134 11.190 8.459 1.00 0.00 H new ATOM 0 HG2 LYS B 6 14.000 11.663 10.796 1.00 0.00 H new ATOM 0 HG3 LYS B 6 13.303 10.138 11.305 1.00 0.00 H new ATOM 0 HD2 LYS B 6 14.666 8.958 9.562 1.00 0.00 H new ATOM 0 HD3 LYS B 6 15.392 10.490 9.116 1.00 0.00 H new ATOM 0 HE2 LYS B 6 16.252 10.735 11.457 1.00 0.00 H new ATOM 0 HE3 LYS B 6 15.572 9.170 11.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 17.912 8.996 11.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 16.987 8.157 10.160 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 17.646 9.674 9.777 1.00 0.00 H new ATOM 1333 N TYR B 7 10.186 11.887 11.762 1.00 0.00 N ATOM 1334 CA TYR B 7 9.367 11.464 12.896 1.00 0.00 C ATOM 1335 C TYR B 7 10.120 10.451 13.757 1.00 0.00 C ATOM 1336 O TYR B 7 11.344 10.327 13.659 1.00 0.00 O ATOM 1337 CB TYR B 7 8.036 10.871 12.410 1.00 0.00 C ATOM 1338 CG TYR B 7 7.221 11.815 11.550 1.00 0.00 C ATOM 1339 CD1 TYR B 7 6.303 12.689 12.119 1.00 0.00 C ATOM 1340 CD2 TYR B 7 7.364 11.827 10.167 1.00 0.00 C ATOM 1341 CE1 TYR B 7 5.556 13.547 11.336 1.00 0.00 C ATOM 1342 CE2 TYR B 7 6.620 12.682 9.377 1.00 0.00 C ATOM 1343 CZ TYR B 7 5.716 13.539 9.965 1.00 0.00 C ATOM 1344 OH TYR B 7 4.968 14.390 9.180 1.00 0.00 O ATOM 0 H TYR B 7 10.374 12.889 11.739 1.00 0.00 H new ATOM 0 HA TYR B 7 9.151 12.341 13.507 1.00 0.00 H new ATOM 0 HB2 TYR B 7 8.240 9.963 11.843 1.00 0.00 H new ATOM 0 HB3 TYR B 7 7.442 10.579 13.276 1.00 0.00 H new ATOM 0 HD1 TYR B 7 6.171 12.698 13.191 1.00 0.00 H new ATOM 0 HD2 TYR B 7 8.070 11.155 9.702 1.00 0.00 H new ATOM 0 HE1 TYR B 7 4.849 14.222 11.795 1.00 0.00 H new ATOM 0 HE2 TYR B 7 6.746 12.678 8.304 1.00 0.00 H new ATOM 0 HH TYR B 7 5.559 14.872 8.564 1.00 0.00 H new ATOM 1354 N SER B 8 9.403 9.761 14.627 1.00 0.00 N ATOM 1355 CA SER B 8 9.989 8.688 15.410 1.00 0.00 C ATOM 1356 C SER B 8 10.068 7.431 14.554 1.00 0.00 C ATOM 1357 O SER B 8 9.038 6.864 14.189 1.00 0.00 O ATOM 1358 CB SER B 8 9.143 8.438 16.661 1.00 0.00 C ATOM 1359 OG SER B 8 8.934 9.643 17.382 1.00 0.00 O ATOM 0 H SER B 8 8.413 9.925 14.809 1.00 0.00 H new ATOM 0 HA SER B 8 10.995 8.966 15.726 1.00 0.00 H new ATOM 0 HB2 SER B 8 8.182 8.010 16.375 1.00 0.00 H new ATOM 0 HB3 SER B 8 9.640 7.709 17.301 1.00 0.00 H new ATOM 0 HG SER B 8 8.390 9.459 18.176 1.00 0.00 H new ATOM 1365 N ASN B 9 11.283 7.008 14.217 1.00 0.00 N ATOM 1366 CA ASN B 9 11.474 5.892 13.293 1.00 0.00 C ATOM 1367 C ASN B 9 10.830 4.620 13.830 1.00 0.00 C ATOM 1368 O ASN B 9 10.196 3.872 13.085 1.00 0.00 O ATOM 1369 CB ASN B 9 12.961 5.653 13.021 1.00 0.00 C ATOM 1370 CG ASN B 9 13.190 4.628 11.924 1.00 0.00 C ATOM 1371 OD1 ASN B 9 13.253 3.426 12.180 1.00 0.00 O ATOM 1372 ND2 ASN B 9 13.320 5.096 10.693 1.00 0.00 N ATOM 0 H ASN B 9 12.148 7.419 14.568 1.00 0.00 H new ATOM 0 HA ASN B 9 10.987 6.157 12.354 1.00 0.00 H new ATOM 0 HB2 ASN B 9 13.432 6.595 12.739 1.00 0.00 H new ATOM 0 HB3 ASN B 9 13.446 5.316 13.937 1.00 0.00 H new ATOM 0 HD21 ASN B 9 13.478 4.453 9.917 1.00 0.00 H new ATOM 0 HD22 ASN B 9 13.262 6.100 10.520 1.00 0.00 H new ATOM 1379 N GLU B 10 10.989 4.386 15.128 1.00 0.00 N ATOM 1380 CA GLU B 10 10.356 3.246 15.784 1.00 0.00 C ATOM 1381 C GLU B 10 8.843 3.289 15.579 1.00 0.00 C ATOM 1382 O GLU B 10 8.208 2.266 15.315 1.00 0.00 O ATOM 1383 CB GLU B 10 10.672 3.227 17.288 1.00 0.00 C ATOM 1384 CG GLU B 10 12.156 3.130 17.624 1.00 0.00 C ATOM 1385 CD GLU B 10 12.883 4.455 17.498 1.00 0.00 C ATOM 1386 OE1 GLU B 10 12.915 5.214 18.485 1.00 0.00 O ATOM 1387 OE2 GLU B 10 13.421 4.744 16.410 1.00 0.00 O ATOM 0 H GLU B 10 11.551 4.970 15.747 1.00 0.00 H new ATOM 0 HA GLU B 10 10.756 2.338 15.334 1.00 0.00 H new ATOM 0 HB2 GLU B 10 10.269 4.132 17.742 1.00 0.00 H new ATOM 0 HB3 GLU B 10 10.154 2.383 17.744 1.00 0.00 H new ATOM 0 HG2 GLU B 10 12.268 2.756 18.642 1.00 0.00 H new ATOM 0 HG3 GLU B 10 12.625 2.401 16.963 1.00 0.00 H new ATOM 1394 N ARG B 11 8.276 4.487 15.680 1.00 0.00 N ATOM 1395 CA ARG B 11 6.849 4.676 15.476 1.00 0.00 C ATOM 1396 C ARG B 11 6.485 4.452 14.017 1.00 0.00 C ATOM 1397 O ARG B 11 5.483 3.815 13.722 1.00 0.00 O ATOM 1398 CB ARG B 11 6.420 6.077 15.908 1.00 0.00 C ATOM 1399 CG ARG B 11 4.950 6.364 15.648 1.00 0.00 C ATOM 1400 CD ARG B 11 4.587 7.792 16.006 1.00 0.00 C ATOM 1401 NE ARG B 11 3.183 8.082 15.734 1.00 0.00 N ATOM 1402 CZ ARG B 11 2.623 9.273 15.922 1.00 0.00 C ATOM 1403 NH1 ARG B 11 3.356 10.299 16.349 1.00 0.00 N ATOM 1404 NH2 ARG B 11 1.332 9.437 15.675 1.00 0.00 N ATOM 0 H ARG B 11 8.787 5.342 15.902 1.00 0.00 H new ATOM 0 HA ARG B 11 6.322 3.945 16.089 1.00 0.00 H new ATOM 0 HB2 ARG B 11 6.624 6.200 16.972 1.00 0.00 H new ATOM 0 HB3 ARG B 11 7.026 6.814 15.380 1.00 0.00 H new ATOM 0 HG2 ARG B 11 4.724 6.183 14.597 1.00 0.00 H new ATOM 0 HG3 ARG B 11 4.336 5.676 16.229 1.00 0.00 H new ATOM 0 HD2 ARG B 11 4.795 7.966 17.062 1.00 0.00 H new ATOM 0 HD3 ARG B 11 5.216 8.479 15.440 1.00 0.00 H new ATOM 0 HE ARG B 11 2.597 7.327 15.379 1.00 0.00 H new ATOM 0 HH11 ARG B 11 4.351 10.173 16.533 1.00 0.00 H new ATOM 0 HH12 ARG B 11 2.922 11.211 16.492 1.00 0.00 H new ATOM 0 HH21 ARG B 11 0.773 8.652 15.342 1.00 0.00 H new ATOM 0 HH22 ARG B 11 0.897 10.349 15.818 1.00 0.00 H new ATOM 1418 N VAL B 12 7.307 4.979 13.112 1.00 0.00 N ATOM 1419 CA VAL B 12 7.087 4.806 11.678 1.00 0.00 C ATOM 1420 C VAL B 12 6.986 3.323 11.328 1.00 0.00 C ATOM 1421 O VAL B 12 6.079 2.903 10.610 1.00 0.00 O ATOM 1422 CB VAL B 12 8.215 5.453 10.843 1.00 0.00 C ATOM 1423 CG1 VAL B 12 8.017 5.179 9.359 1.00 0.00 C ATOM 1424 CG2 VAL B 12 8.283 6.949 11.104 1.00 0.00 C ATOM 0 H VAL B 12 8.133 5.530 13.347 1.00 0.00 H new ATOM 0 HA VAL B 12 6.150 5.306 11.434 1.00 0.00 H new ATOM 0 HB VAL B 12 9.161 5.006 11.148 1.00 0.00 H new ATOM 0 HG11 VAL B 12 8.823 5.645 8.792 1.00 0.00 H new ATOM 0 HG12 VAL B 12 8.024 4.103 9.184 1.00 0.00 H new ATOM 0 HG13 VAL B 12 7.061 5.593 9.037 1.00 0.00 H new ATOM 0 HG21 VAL B 12 9.083 7.386 10.507 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.333 7.409 10.831 1.00 0.00 H new ATOM 0 HG23 VAL B 12 8.481 7.125 12.161 1.00 0.00 H new ATOM 1434 N GLU B 13 7.911 2.535 11.862 1.00 0.00 N ATOM 1435 CA GLU B 13 7.898 1.097 11.646 1.00 0.00 C ATOM 1436 C GLU B 13 6.660 0.483 12.293 1.00 0.00 C ATOM 1437 O GLU B 13 6.068 -0.456 11.763 1.00 0.00 O ATOM 1438 CB GLU B 13 9.165 0.457 12.216 1.00 0.00 C ATOM 1439 CG GLU B 13 9.350 -0.994 11.803 1.00 0.00 C ATOM 1440 CD GLU B 13 10.590 -1.618 12.406 1.00 0.00 C ATOM 1441 OE1 GLU B 13 11.624 -0.927 12.507 1.00 0.00 O ATOM 1442 OE2 GLU B 13 10.539 -2.808 12.787 1.00 0.00 O ATOM 0 H GLU B 13 8.678 2.868 12.446 1.00 0.00 H new ATOM 0 HA GLU B 13 7.869 0.906 10.573 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.031 1.033 11.890 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.134 0.516 13.304 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.475 -1.568 12.106 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.410 -1.054 10.716 1.00 0.00 H new ATOM 1449 N LYS B 14 6.259 1.033 13.431 1.00 0.00 N ATOM 1450 CA LYS B 14 5.076 0.555 14.128 1.00 0.00 C ATOM 1451 C LYS B 14 3.807 0.906 13.356 1.00 0.00 C ATOM 1452 O LYS B 14 2.795 0.231 13.496 1.00 0.00 O ATOM 1453 CB LYS B 14 5.000 1.133 15.542 1.00 0.00 C ATOM 1454 CG LYS B 14 3.838 0.583 16.357 1.00 0.00 C ATOM 1455 CD LYS B 14 4.006 -0.904 16.628 1.00 0.00 C ATOM 1456 CE LYS B 14 2.734 -1.526 17.179 1.00 0.00 C ATOM 1457 NZ LYS B 14 1.707 -1.726 16.121 1.00 0.00 N ATOM 0 H LYS B 14 6.736 1.809 13.890 1.00 0.00 H new ATOM 0 HA LYS B 14 5.154 -0.530 14.198 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.933 0.921 16.064 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.909 2.217 15.479 1.00 0.00 H new ATOM 0 HG2 LYS B 14 3.768 1.121 17.302 1.00 0.00 H new ATOM 0 HG3 LYS B 14 2.904 0.754 15.823 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.288 -1.412 15.706 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.820 -1.054 17.337 1.00 0.00 H new ATOM 0 HE2 LYS B 14 2.970 -2.485 17.641 1.00 0.00 H new ATOM 0 HE3 LYS B 14 2.328 -0.886 17.962 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 0.791 -1.941 16.563 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.622 -0.860 15.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 1.990 -2.517 15.508 1.00 0.00 H new ATOM 1471 N ILE B 15 3.860 1.966 12.555 1.00 0.00 N ATOM 1472 CA ILE B 15 2.739 2.332 11.692 1.00 0.00 C ATOM 1473 C ILE B 15 2.581 1.286 10.595 1.00 0.00 C ATOM 1474 O ILE B 15 1.481 0.793 10.339 1.00 0.00 O ATOM 1475 CB ILE B 15 2.932 3.730 11.054 1.00 0.00 C ATOM 1476 CG1 ILE B 15 3.061 4.801 12.142 1.00 0.00 C ATOM 1477 CG2 ILE B 15 1.768 4.058 10.123 1.00 0.00 C ATOM 1478 CD1 ILE B 15 3.372 6.181 11.603 1.00 0.00 C ATOM 0 H ILE B 15 4.666 2.587 12.485 1.00 0.00 H new ATOM 0 HA ILE B 15 1.841 2.371 12.309 1.00 0.00 H new ATOM 0 HB ILE B 15 3.851 3.717 10.468 1.00 0.00 H new ATOM 0 HG12 ILE B 15 2.132 4.843 12.710 1.00 0.00 H new ATOM 0 HG13 ILE B 15 3.847 4.507 12.838 1.00 0.00 H new ATOM 0 HG21 ILE B 15 1.920 5.044 9.684 1.00 0.00 H new ATOM 0 HG22 ILE B 15 1.715 3.312 9.330 1.00 0.00 H new ATOM 0 HG23 ILE B 15 0.837 4.053 10.689 1.00 0.00 H new ATOM 0 HD11 ILE B 15 3.449 6.886 12.431 1.00 0.00 H new ATOM 0 HD12 ILE B 15 4.317 6.155 11.060 1.00 0.00 H new ATOM 0 HD13 ILE B 15 2.575 6.497 10.930 1.00 0.00 H new ATOM 1490 N ILE B 16 3.701 0.935 9.974 1.00 0.00 N ATOM 1491 CA ILE B 16 3.731 -0.129 8.978 1.00 0.00 C ATOM 1492 C ILE B 16 3.249 -1.432 9.599 1.00 0.00 C ATOM 1493 O ILE B 16 2.432 -2.152 9.022 1.00 0.00 O ATOM 1494 CB ILE B 16 5.159 -0.336 8.431 1.00 0.00 C ATOM 1495 CG1 ILE B 16 5.732 0.995 7.948 1.00 0.00 C ATOM 1496 CG2 ILE B 16 5.155 -1.359 7.301 1.00 0.00 C ATOM 1497 CD1 ILE B 16 7.198 0.935 7.588 1.00 0.00 C ATOM 0 H ILE B 16 4.605 1.375 10.144 1.00 0.00 H new ATOM 0 HA ILE B 16 3.076 0.161 8.157 1.00 0.00 H new ATOM 0 HB ILE B 16 5.790 -0.718 9.234 1.00 0.00 H new ATOM 0 HG12 ILE B 16 5.167 1.328 7.077 1.00 0.00 H new ATOM 0 HG13 ILE B 16 5.589 1.745 8.726 1.00 0.00 H new ATOM 0 HG21 ILE B 16 6.170 -1.492 6.927 1.00 0.00 H new ATOM 0 HG22 ILE B 16 4.777 -2.311 7.674 1.00 0.00 H new ATOM 0 HG23 ILE B 16 4.514 -1.006 6.493 1.00 0.00 H new ATOM 0 HD11 ILE B 16 7.531 1.918 7.254 1.00 0.00 H new ATOM 0 HD12 ILE B 16 7.775 0.634 8.462 1.00 0.00 H new ATOM 0 HD13 ILE B 16 7.347 0.210 6.787 1.00 0.00 H new ATOM 1509 N GLN B 17 3.747 -1.705 10.798 1.00 0.00 N ATOM 1510 CA GLN B 17 3.399 -2.912 11.522 1.00 0.00 C ATOM 1511 C GLN B 17 1.928 -2.878 11.940 1.00 0.00 C ATOM 1512 O GLN B 17 1.278 -3.910 11.999 1.00 0.00 O ATOM 1513 CB GLN B 17 4.316 -3.070 12.746 1.00 0.00 C ATOM 1514 CG GLN B 17 4.371 -4.487 13.305 1.00 0.00 C ATOM 1515 CD GLN B 17 3.126 -4.875 14.078 1.00 0.00 C ATOM 1516 OE1 GLN B 17 2.514 -4.042 14.754 1.00 0.00 O ATOM 1517 NE2 GLN B 17 2.720 -6.127 13.947 1.00 0.00 N ATOM 0 H GLN B 17 4.400 -1.096 11.291 1.00 0.00 H new ATOM 0 HA GLN B 17 3.542 -3.773 10.869 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.325 -2.759 12.473 1.00 0.00 H new ATOM 0 HB3 GLN B 17 3.976 -2.394 13.531 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.514 -5.189 12.483 1.00 0.00 H new ATOM 0 HG3 GLN B 17 5.239 -4.579 13.958 1.00 0.00 H new ATOM 0 HE21 GLN B 17 3.258 -6.781 13.378 1.00 0.00 H new ATOM 0 HE22 GLN B 17 1.869 -6.439 14.415 1.00 0.00 H new ATOM 1526 N ASP B 18 1.405 -1.687 12.213 1.00 0.00 N ATOM 1527 CA ASP B 18 0.016 -1.541 12.652 1.00 0.00 C ATOM 1528 C ASP B 18 -0.929 -1.887 11.511 1.00 0.00 C ATOM 1529 O ASP B 18 -1.985 -2.479 11.725 1.00 0.00 O ATOM 1530 CB ASP B 18 -0.246 -0.119 13.162 1.00 0.00 C ATOM 1531 CG ASP B 18 -1.524 -0.011 13.976 1.00 0.00 C ATOM 1532 OD1 ASP B 18 -1.632 -0.705 15.012 1.00 0.00 O ATOM 1533 OD2 ASP B 18 -2.411 0.784 13.607 1.00 0.00 O ATOM 0 H ASP B 18 1.918 -0.809 12.139 1.00 0.00 H new ATOM 0 HA ASP B 18 -0.164 -2.231 13.476 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.597 0.204 13.773 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.303 0.562 12.313 1.00 0.00 H new ATOM 1538 N LEU B 19 -0.527 -1.533 10.295 1.00 0.00 N ATOM 1539 CA LEU B 19 -1.253 -1.944 9.101 1.00 0.00 C ATOM 1540 C LEU B 19 -1.257 -3.467 9.003 1.00 0.00 C ATOM 1541 O LEU B 19 -2.291 -4.087 8.750 1.00 0.00 O ATOM 1542 CB LEU B 19 -0.606 -1.345 7.847 1.00 0.00 C ATOM 1543 CG LEU B 19 -0.670 0.179 7.736 1.00 0.00 C ATOM 1544 CD1 LEU B 19 0.220 0.666 6.605 1.00 0.00 C ATOM 1545 CD2 LEU B 19 -2.104 0.634 7.512 1.00 0.00 C ATOM 0 H LEU B 19 0.298 -0.962 10.111 1.00 0.00 H new ATOM 0 HA LEU B 19 -2.278 -1.581 9.171 1.00 0.00 H new ATOM 0 HB2 LEU B 19 0.440 -1.650 7.818 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -1.088 -1.776 6.970 1.00 0.00 H new ATOM 0 HG LEU B 19 -0.310 0.609 8.671 1.00 0.00 H new ATOM 0 HD11 LEU B 19 0.163 1.753 6.539 1.00 0.00 H new ATOM 0 HD12 LEU B 19 1.250 0.368 6.799 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -0.114 0.228 5.665 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -2.133 1.721 7.435 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -2.485 0.195 6.590 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.723 0.313 8.350 1.00 0.00 H new ATOM 1557 N LEU B 20 -0.086 -4.055 9.225 1.00 0.00 N ATOM 1558 CA LEU B 20 0.077 -5.507 9.215 1.00 0.00 C ATOM 1559 C LEU B 20 -0.764 -6.150 10.311 1.00 0.00 C ATOM 1560 O LEU B 20 -1.329 -7.225 10.126 1.00 0.00 O ATOM 1561 CB LEU B 20 1.550 -5.861 9.421 1.00 0.00 C ATOM 1562 CG LEU B 20 2.503 -5.327 8.349 1.00 0.00 C ATOM 1563 CD1 LEU B 20 3.947 -5.579 8.752 1.00 0.00 C ATOM 1564 CD2 LEU B 20 2.207 -5.967 7.000 1.00 0.00 C ATOM 0 H LEU B 20 0.775 -3.542 9.416 1.00 0.00 H new ATOM 0 HA LEU B 20 -0.259 -5.888 8.251 1.00 0.00 H new ATOM 0 HB2 LEU B 20 1.867 -5.477 10.391 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.645 -6.946 9.461 1.00 0.00 H new ATOM 0 HG LEU B 20 2.350 -4.252 8.258 1.00 0.00 H new ATOM 0 HD11 LEU B 20 4.613 -5.194 7.980 1.00 0.00 H new ATOM 0 HD12 LEU B 20 4.155 -5.074 9.695 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.110 -6.650 8.870 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.895 -5.574 6.252 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.331 -7.047 7.075 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.183 -5.739 6.706 1.00 0.00 H new ATOM 1576 N ASP B 21 -0.841 -5.471 11.444 1.00 0.00 N ATOM 1577 CA ASP B 21 -1.598 -5.949 12.592 1.00 0.00 C ATOM 1578 C ASP B 21 -3.079 -6.035 12.262 1.00 0.00 C ATOM 1579 O ASP B 21 -3.771 -6.934 12.723 1.00 0.00 O ATOM 1580 CB ASP B 21 -1.388 -5.017 13.781 1.00 0.00 C ATOM 1581 CG ASP B 21 -1.992 -5.549 15.062 1.00 0.00 C ATOM 1582 OD1 ASP B 21 -1.397 -6.465 15.667 1.00 0.00 O ATOM 1583 OD2 ASP B 21 -3.050 -5.040 15.483 1.00 0.00 O ATOM 0 H ASP B 21 -0.381 -4.573 11.595 1.00 0.00 H new ATOM 0 HA ASP B 21 -1.240 -6.946 12.848 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -0.320 -4.859 13.928 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -1.826 -4.045 13.555 1.00 0.00 H new ATOM 1588 N VAL B 22 -3.557 -5.092 11.459 1.00 0.00 N ATOM 1589 CA VAL B 22 -4.934 -5.119 10.985 1.00 0.00 C ATOM 1590 C VAL B 22 -5.105 -6.210 9.930 1.00 0.00 C ATOM 1591 O VAL B 22 -6.124 -6.901 9.889 1.00 0.00 O ATOM 1592 CB VAL B 22 -5.357 -3.755 10.398 1.00 0.00 C ATOM 1593 CG1 VAL B 22 -6.786 -3.806 9.878 1.00 0.00 C ATOM 1594 CG2 VAL B 22 -5.213 -2.662 11.445 1.00 0.00 C ATOM 0 H VAL B 22 -3.011 -4.299 11.123 1.00 0.00 H new ATOM 0 HA VAL B 22 -5.575 -5.334 11.840 1.00 0.00 H new ATOM 0 HB VAL B 22 -4.699 -3.527 9.560 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -7.060 -2.833 9.470 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -6.862 -4.562 9.096 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -7.462 -4.060 10.695 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.515 -1.706 11.017 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.847 -2.892 12.301 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.174 -2.603 11.769 1.00 0.00 H new ATOM 1604 N LEU B 23 -4.084 -6.381 9.099 1.00 0.00 N ATOM 1605 CA LEU B 23 -4.096 -7.418 8.075 1.00 0.00 C ATOM 1606 C LEU B 23 -4.156 -8.803 8.713 1.00 0.00 C ATOM 1607 O LEU B 23 -4.852 -9.688 8.222 1.00 0.00 O ATOM 1608 CB LEU B 23 -2.861 -7.306 7.174 1.00 0.00 C ATOM 1609 CG LEU B 23 -2.736 -6.000 6.385 1.00 0.00 C ATOM 1610 CD1 LEU B 23 -1.472 -6.007 5.541 1.00 0.00 C ATOM 1611 CD2 LEU B 23 -3.960 -5.781 5.509 1.00 0.00 C ATOM 0 H LEU B 23 -3.236 -5.814 9.114 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.986 -7.277 7.462 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -1.971 -7.423 7.792 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -2.871 -8.137 6.468 1.00 0.00 H new ATOM 0 HG LEU B 23 -2.673 -5.176 7.096 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -1.399 -5.071 4.987 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -0.602 -6.113 6.189 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -1.507 -6.842 4.841 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -3.850 -4.847 4.957 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -4.057 -6.609 4.806 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -4.851 -5.730 6.135 1.00 0.00 H new ATOM 1623 N VAL B 24 -3.430 -8.984 9.812 1.00 0.00 N ATOM 1624 CA VAL B 24 -3.439 -10.257 10.527 1.00 0.00 C ATOM 1625 C VAL B 24 -4.636 -10.325 11.480 1.00 0.00 C ATOM 1626 O VAL B 24 -5.113 -11.410 11.814 1.00 0.00 O ATOM 1627 CB VAL B 24 -2.118 -10.501 11.301 1.00 0.00 C ATOM 1628 CG1 VAL B 24 -1.956 -9.524 12.452 1.00 0.00 C ATOM 1629 CG2 VAL B 24 -2.038 -11.937 11.796 1.00 0.00 C ATOM 0 H VAL B 24 -2.831 -8.270 10.226 1.00 0.00 H new ATOM 0 HA VAL B 24 -3.529 -11.047 9.782 1.00 0.00 H new ATOM 0 HB VAL B 24 -1.295 -10.331 10.607 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -1.019 -9.726 12.971 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -1.945 -8.505 12.065 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -2.788 -9.639 13.147 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -1.103 -12.084 12.336 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -2.877 -12.140 12.462 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -2.077 -12.618 10.946 1.00 0.00 H new ATOM 1639 N LYS B 25 -5.117 -9.157 11.907 1.00 0.00 N ATOM 1640 CA LYS B 25 -6.345 -9.059 12.696 1.00 0.00 C ATOM 1641 C LYS B 25 -7.497 -9.764 11.982 1.00 0.00 C ATOM 1642 O LYS B 25 -8.224 -10.560 12.579 1.00 0.00 O ATOM 1643 CB LYS B 25 -6.691 -7.584 12.924 1.00 0.00 C ATOM 1644 CG LYS B 25 -7.995 -7.343 13.664 1.00 0.00 C ATOM 1645 CD LYS B 25 -8.319 -5.858 13.734 1.00 0.00 C ATOM 1646 CE LYS B 25 -9.638 -5.609 14.446 1.00 0.00 C ATOM 1647 NZ LYS B 25 -10.798 -6.140 13.682 1.00 0.00 N ATOM 0 H LYS B 25 -4.671 -8.259 11.718 1.00 0.00 H new ATOM 0 HA LYS B 25 -6.187 -9.546 13.658 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -5.880 -7.117 13.484 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -6.740 -7.083 11.957 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -8.805 -7.872 13.161 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -7.925 -7.751 14.672 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -7.518 -5.334 14.256 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -8.365 -5.447 12.726 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -9.610 -6.074 15.431 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -9.768 -4.538 14.603 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -11.481 -5.375 13.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -10.469 -6.520 12.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -11.256 -6.898 14.228 1.00 0.00 H new ATOM 1661 N GLU B 26 -7.643 -9.476 10.697 1.00 0.00 N ATOM 1662 CA GLU B 26 -8.688 -10.087 9.888 1.00 0.00 C ATOM 1663 C GLU B 26 -8.156 -11.331 9.183 1.00 0.00 C ATOM 1664 O GLU B 26 -8.919 -12.115 8.620 1.00 0.00 O ATOM 1665 CB GLU B 26 -9.191 -9.088 8.843 1.00 0.00 C ATOM 1666 CG GLU B 26 -9.492 -7.706 9.403 1.00 0.00 C ATOM 1667 CD GLU B 26 -10.621 -7.707 10.415 1.00 0.00 C ATOM 1668 OE1 GLU B 26 -11.794 -7.611 10.000 1.00 0.00 O ATOM 1669 OE2 GLU B 26 -10.344 -7.787 11.632 1.00 0.00 O ATOM 0 H GLU B 26 -7.048 -8.820 10.190 1.00 0.00 H new ATOM 0 HA GLU B 26 -9.510 -10.373 10.544 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -8.444 -8.995 8.055 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -10.094 -9.486 8.380 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -8.593 -7.307 9.872 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -9.748 -7.036 8.582 1.00 0.00 H new ATOM 1676 N GLU B 27 -6.838 -11.503 9.234 1.00 0.00 N ATOM 1677 CA GLU B 27 -6.151 -12.556 8.491 1.00 0.00 C ATOM 1678 C GLU B 27 -6.504 -12.482 7.010 1.00 0.00 C ATOM 1679 O GLU B 27 -7.191 -13.350 6.468 1.00 0.00 O ATOM 1680 CB GLU B 27 -6.466 -13.944 9.056 1.00 0.00 C ATOM 1681 CG GLU B 27 -5.952 -14.153 10.470 1.00 0.00 C ATOM 1682 CD GLU B 27 -6.114 -15.578 10.944 1.00 0.00 C ATOM 1683 OE1 GLU B 27 -7.242 -15.958 11.323 1.00 0.00 O ATOM 1684 OE2 GLU B 27 -5.116 -16.328 10.936 1.00 0.00 O ATOM 0 H GLU B 27 -6.216 -10.917 9.791 1.00 0.00 H new ATOM 0 HA GLU B 27 -5.079 -12.394 8.602 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -7.545 -14.096 9.044 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -6.030 -14.701 8.404 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.898 -13.877 10.514 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -6.484 -13.486 11.148 1.00 0.00 H new ATOM 1691 N VAL B 28 -6.059 -11.410 6.375 1.00 0.00 N ATOM 1692 CA VAL B 28 -6.310 -11.196 4.956 1.00 0.00 C ATOM 1693 C VAL B 28 -5.396 -12.060 4.086 1.00 0.00 C ATOM 1694 O VAL B 28 -4.490 -12.734 4.581 1.00 0.00 O ATOM 1695 CB VAL B 28 -6.116 -9.713 4.567 1.00 0.00 C ATOM 1696 CG1 VAL B 28 -7.001 -8.812 5.411 1.00 0.00 C ATOM 1697 CG2 VAL B 28 -4.656 -9.307 4.694 1.00 0.00 C ATOM 0 H VAL B 28 -5.519 -10.669 6.822 1.00 0.00 H new ATOM 0 HA VAL B 28 -7.346 -11.483 4.778 1.00 0.00 H new ATOM 0 HB VAL B 28 -6.411 -9.597 3.524 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -6.847 -7.773 5.119 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -8.046 -9.081 5.257 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -6.746 -8.934 6.464 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -4.544 -8.259 4.415 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -4.328 -9.445 5.724 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -4.048 -9.925 4.034 1.00 0.00 H new ATOM 1707 N THR B 29 -5.651 -12.036 2.788 1.00 0.00 N ATOM 1708 CA THR B 29 -4.834 -12.748 1.824 1.00 0.00 C ATOM 1709 C THR B 29 -4.067 -11.749 0.959 1.00 0.00 C ATOM 1710 O THR B 29 -4.376 -10.557 0.986 1.00 0.00 O ATOM 1711 CB THR B 29 -5.716 -13.637 0.929 1.00 0.00 C ATOM 1712 OG1 THR B 29 -6.798 -12.859 0.402 1.00 0.00 O ATOM 1713 CG2 THR B 29 -6.269 -14.821 1.712 1.00 0.00 C ATOM 0 H THR B 29 -6.430 -11.523 2.375 1.00 0.00 H new ATOM 0 HA THR B 29 -4.127 -13.380 2.362 1.00 0.00 H new ATOM 0 HB THR B 29 -5.105 -14.022 0.113 1.00 0.00 H new ATOM 0 HG1 THR B 29 -7.237 -13.356 -0.320 1.00 0.00 H new ATOM 0 HG21 THR B 29 -6.889 -15.433 1.057 1.00 0.00 H new ATOM 0 HG22 THR B 29 -5.444 -15.421 2.096 1.00 0.00 H new ATOM 0 HG23 THR B 29 -6.871 -14.457 2.545 1.00 0.00 H new ATOM 1721 N PRO B 30 -3.058 -12.204 0.187 1.00 0.00 N ATOM 1722 CA PRO B 30 -2.301 -11.335 -0.728 1.00 0.00 C ATOM 1723 C PRO B 30 -3.213 -10.507 -1.634 1.00 0.00 C ATOM 1724 O PRO B 30 -3.057 -9.289 -1.737 1.00 0.00 O ATOM 1725 CB PRO B 30 -1.459 -12.316 -1.564 1.00 0.00 C ATOM 1726 CG PRO B 30 -1.972 -13.679 -1.229 1.00 0.00 C ATOM 1727 CD PRO B 30 -2.550 -13.582 0.151 1.00 0.00 C ATOM 0 HA PRO B 30 -1.702 -10.606 -0.182 1.00 0.00 H new ATOM 0 HB2 PRO B 30 -1.562 -12.110 -2.629 1.00 0.00 H new ATOM 0 HB3 PRO B 30 -0.400 -12.226 -1.323 1.00 0.00 H new ATOM 0 HG2 PRO B 30 -2.729 -13.997 -1.946 1.00 0.00 H new ATOM 0 HG3 PRO B 30 -1.170 -14.416 -1.264 1.00 0.00 H new ATOM 0 HD2 PRO B 30 -3.344 -14.311 0.311 1.00 0.00 H new ATOM 0 HD3 PRO B 30 -1.797 -13.757 0.920 1.00 0.00 H new ATOM 1735 N ASP B 31 -4.170 -11.180 -2.273 1.00 0.00 N ATOM 1736 CA ASP B 31 -5.147 -10.523 -3.140 1.00 0.00 C ATOM 1737 C ASP B 31 -5.851 -9.402 -2.390 1.00 0.00 C ATOM 1738 O ASP B 31 -5.919 -8.260 -2.848 1.00 0.00 O ATOM 1739 CB ASP B 31 -6.220 -11.519 -3.598 1.00 0.00 C ATOM 1740 CG ASP B 31 -5.668 -12.817 -4.144 1.00 0.00 C ATOM 1741 OD1 ASP B 31 -4.995 -13.548 -3.382 1.00 0.00 O ATOM 1742 OD2 ASP B 31 -5.958 -13.137 -5.316 1.00 0.00 O ATOM 0 H ASP B 31 -4.289 -12.191 -2.205 1.00 0.00 H new ATOM 0 HA ASP B 31 -4.607 -10.128 -4.000 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -6.876 -11.742 -2.757 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -6.834 -11.047 -4.365 1.00 0.00 H new ATOM 1747 N LEU B 32 -6.358 -9.754 -1.218 1.00 0.00 N ATOM 1748 CA LEU B 32 -7.179 -8.860 -0.423 1.00 0.00 C ATOM 1749 C LEU B 32 -6.354 -7.690 0.103 1.00 0.00 C ATOM 1750 O LEU B 32 -6.825 -6.555 0.127 1.00 0.00 O ATOM 1751 CB LEU B 32 -7.807 -9.647 0.731 1.00 0.00 C ATOM 1752 CG LEU B 32 -8.849 -8.901 1.562 1.00 0.00 C ATOM 1753 CD1 LEU B 32 -9.964 -8.377 0.674 1.00 0.00 C ATOM 1754 CD2 LEU B 32 -9.416 -9.820 2.636 1.00 0.00 C ATOM 0 H LEU B 32 -6.210 -10.669 -0.793 1.00 0.00 H new ATOM 0 HA LEU B 32 -7.971 -8.448 -1.049 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -8.272 -10.544 0.322 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -7.009 -9.977 1.396 1.00 0.00 H new ATOM 0 HG LEU B 32 -8.366 -8.051 2.044 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.697 -7.848 1.284 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -9.548 -7.694 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -10.448 -9.212 0.167 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.158 -9.279 3.223 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -9.885 -10.684 2.165 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -8.611 -10.156 3.289 1.00 0.00 H new ATOM 1766 N ALA B 33 -5.120 -7.969 0.505 1.00 0.00 N ATOM 1767 CA ALA B 33 -4.237 -6.940 1.036 1.00 0.00 C ATOM 1768 C ALA B 33 -3.927 -5.885 -0.016 1.00 0.00 C ATOM 1769 O ALA B 33 -4.078 -4.693 0.236 1.00 0.00 O ATOM 1770 CB ALA B 33 -2.951 -7.556 1.559 1.00 0.00 C ATOM 0 H ALA B 33 -4.708 -8.902 0.473 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.753 -6.453 1.863 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -2.305 -6.771 1.951 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -3.184 -8.265 2.353 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -2.440 -8.075 0.748 1.00 0.00 H new ATOM 1776 N LEU B 34 -3.515 -6.329 -1.199 1.00 0.00 N ATOM 1777 CA LEU B 34 -3.140 -5.413 -2.273 1.00 0.00 C ATOM 1778 C LEU B 34 -4.305 -4.503 -2.653 1.00 0.00 C ATOM 1779 O LEU B 34 -4.134 -3.292 -2.807 1.00 0.00 O ATOM 1780 CB LEU B 34 -2.660 -6.194 -3.500 1.00 0.00 C ATOM 1781 CG LEU B 34 -1.417 -7.059 -3.278 1.00 0.00 C ATOM 1782 CD1 LEU B 34 -1.049 -7.802 -4.553 1.00 0.00 C ATOM 1783 CD2 LEU B 34 -0.247 -6.208 -2.805 1.00 0.00 C ATOM 0 H LEU B 34 -3.432 -7.317 -1.439 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.324 -4.788 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.472 -6.835 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.452 -5.486 -4.302 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.646 -7.791 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -0.163 -8.412 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.878 -8.444 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.842 -7.083 -5.346 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.626 -6.842 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -0.020 -5.452 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.508 -5.720 -1.866 1.00 0.00 H new ATOM 1795 N MET B 35 -5.490 -5.088 -2.779 1.00 0.00 N ATOM 1796 CA MET B 35 -6.680 -4.335 -3.164 1.00 0.00 C ATOM 1797 C MET B 35 -7.043 -3.286 -2.111 1.00 0.00 C ATOM 1798 O MET B 35 -7.444 -2.172 -2.450 1.00 0.00 O ATOM 1799 CB MET B 35 -7.849 -5.295 -3.401 1.00 0.00 C ATOM 1800 CG MET B 35 -9.134 -4.611 -3.839 1.00 0.00 C ATOM 1801 SD MET B 35 -10.375 -5.781 -4.423 1.00 0.00 S ATOM 1802 CE MET B 35 -10.532 -6.855 -2.999 1.00 0.00 C ATOM 0 H MET B 35 -5.654 -6.082 -2.620 1.00 0.00 H new ATOM 0 HA MET B 35 -6.464 -3.803 -4.091 1.00 0.00 H new ATOM 0 HB2 MET B 35 -7.560 -6.022 -4.160 1.00 0.00 H new ATOM 0 HB3 MET B 35 -8.040 -5.851 -2.483 1.00 0.00 H new ATOM 0 HG2 MET B 35 -9.541 -4.041 -3.004 1.00 0.00 H new ATOM 0 HG3 MET B 35 -8.910 -3.898 -4.632 1.00 0.00 H new ATOM 0 HE1 MET B 35 -11.534 -7.284 -2.975 1.00 0.00 H new ATOM 0 HE2 MET B 35 -9.796 -7.656 -3.065 1.00 0.00 H new ATOM 0 HE3 MET B 35 -10.362 -6.280 -2.089 1.00 0.00 H new ATOM 1812 N CYS B 36 -6.882 -3.634 -0.840 1.00 0.00 N ATOM 1813 CA CYS B 36 -7.206 -2.714 0.246 1.00 0.00 C ATOM 1814 C CYS B 36 -6.115 -1.655 0.411 1.00 0.00 C ATOM 1815 O CYS B 36 -6.406 -0.461 0.497 1.00 0.00 O ATOM 1816 CB CYS B 36 -7.401 -3.485 1.553 1.00 0.00 C ATOM 1817 SG CYS B 36 -8.687 -4.753 1.477 1.00 0.00 S ATOM 0 H CYS B 36 -6.531 -4.542 -0.536 1.00 0.00 H new ATOM 0 HA CYS B 36 -8.137 -2.205 -0.005 1.00 0.00 H new ATOM 0 HB2 CYS B 36 -6.457 -3.956 1.829 1.00 0.00 H new ATOM 0 HB3 CYS B 36 -7.648 -2.779 2.346 1.00 0.00 H new ATOM 0 HG CYS B 36 -8.183 -5.855 1.007 1.00 0.00 H new ATOM 1823 N LEU B 37 -4.857 -2.096 0.438 1.00 0.00 N ATOM 1824 CA LEU B 37 -3.723 -1.190 0.619 1.00 0.00 C ATOM 1825 C LEU B 37 -3.641 -0.184 -0.521 1.00 0.00 C ATOM 1826 O LEU B 37 -3.546 1.019 -0.283 1.00 0.00 O ATOM 1827 CB LEU B 37 -2.405 -1.968 0.718 1.00 0.00 C ATOM 1828 CG LEU B 37 -2.247 -2.834 1.967 1.00 0.00 C ATOM 1829 CD1 LEU B 37 -0.961 -3.640 1.892 1.00 0.00 C ATOM 1830 CD2 LEU B 37 -2.259 -1.972 3.222 1.00 0.00 C ATOM 0 H LEU B 37 -4.598 -3.077 0.337 1.00 0.00 H new ATOM 0 HA LEU B 37 -3.882 -0.651 1.553 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.313 -2.607 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.580 -1.257 0.683 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.089 -3.524 2.016 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -0.862 -4.252 2.789 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.986 -4.285 1.014 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.110 -2.962 1.820 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.145 -2.607 4.101 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.436 -1.258 3.181 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.204 -1.433 3.284 1.00 0.00 H new ATOM 1842 N GLY B 38 -3.704 -0.681 -1.754 1.00 0.00 N ATOM 1843 CA GLY B 38 -3.604 0.183 -2.919 1.00 0.00 C ATOM 1844 C GLY B 38 -4.711 1.213 -2.970 1.00 0.00 C ATOM 1845 O GLY B 38 -4.520 2.326 -3.466 1.00 0.00 O ATOM 0 H GLY B 38 -3.823 -1.671 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.639 0.691 -2.910 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -3.636 -0.425 -3.823 1.00 0.00 H new ATOM 1849 N ASN B 39 -5.870 0.843 -2.446 1.00 0.00 N ATOM 1850 CA ASN B 39 -7.012 1.743 -2.395 1.00 0.00 C ATOM 1851 C ASN B 39 -6.714 2.897 -1.448 1.00 0.00 C ATOM 1852 O ASN B 39 -6.952 4.063 -1.767 1.00 0.00 O ATOM 1853 CB ASN B 39 -8.252 0.992 -1.919 1.00 0.00 C ATOM 1854 CG ASN B 39 -9.535 1.600 -2.447 1.00 0.00 C ATOM 1855 OD1 ASN B 39 -10.083 2.534 -1.865 1.00 0.00 O ATOM 1856 ND2 ASN B 39 -10.028 1.057 -3.549 1.00 0.00 N ATOM 0 H ASN B 39 -6.045 -0.080 -2.048 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.199 2.135 -3.395 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -8.188 -0.048 -2.238 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.276 0.990 -0.829 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -10.897 1.413 -3.948 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -9.539 0.283 -3.999 1.00 0.00 H new ATOM 1863 N ALA B 40 -6.163 2.556 -0.287 1.00 0.00 N ATOM 1864 CA ALA B 40 -5.788 3.545 0.713 1.00 0.00 C ATOM 1865 C ALA B 40 -4.696 4.464 0.180 1.00 0.00 C ATOM 1866 O ALA B 40 -4.722 5.672 0.419 1.00 0.00 O ATOM 1867 CB ALA B 40 -5.330 2.861 1.993 1.00 0.00 C ATOM 0 H ALA B 40 -5.966 1.593 -0.016 1.00 0.00 H new ATOM 0 HA ALA B 40 -6.665 4.152 0.939 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -5.053 3.615 2.730 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -6.140 2.248 2.388 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -4.468 2.229 1.779 1.00 0.00 H new ATOM 1873 N VAL B 41 -3.743 3.885 -0.550 1.00 0.00 N ATOM 1874 CA VAL B 41 -2.677 4.663 -1.170 1.00 0.00 C ATOM 1875 C VAL B 41 -3.275 5.711 -2.097 1.00 0.00 C ATOM 1876 O VAL B 41 -2.955 6.894 -2.010 1.00 0.00 O ATOM 1877 CB VAL B 41 -1.703 3.782 -1.988 1.00 0.00 C ATOM 1878 CG1 VAL B 41 -0.580 4.622 -2.577 1.00 0.00 C ATOM 1879 CG2 VAL B 41 -1.130 2.658 -1.142 1.00 0.00 C ATOM 0 H VAL B 41 -3.689 2.882 -0.725 1.00 0.00 H new ATOM 0 HA VAL B 41 -2.116 5.133 -0.362 1.00 0.00 H new ATOM 0 HB VAL B 41 -2.271 3.336 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL B 41 0.092 3.982 -3.148 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -1.001 5.383 -3.234 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -0.025 5.104 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -0.450 2.058 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -0.587 3.080 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -1.941 2.029 -0.776 1.00 0.00 H new ATOM 1889 N THR B 42 -4.174 5.262 -2.960 1.00 0.00 N ATOM 1890 CA THR B 42 -4.787 6.131 -3.950 1.00 0.00 C ATOM 1891 C THR B 42 -5.608 7.238 -3.281 1.00 0.00 C ATOM 1892 O THR B 42 -5.684 8.363 -3.785 1.00 0.00 O ATOM 1893 CB THR B 42 -5.680 5.314 -4.899 1.00 0.00 C ATOM 1894 OG1 THR B 42 -4.926 4.228 -5.451 1.00 0.00 O ATOM 1895 CG2 THR B 42 -6.212 6.178 -6.029 1.00 0.00 C ATOM 0 H THR B 42 -4.496 4.295 -2.993 1.00 0.00 H new ATOM 0 HA THR B 42 -3.988 6.599 -4.526 1.00 0.00 H new ATOM 0 HB THR B 42 -6.525 4.932 -4.327 1.00 0.00 H new ATOM 0 HG1 THR B 42 -4.815 3.529 -4.773 1.00 0.00 H new ATOM 0 HG21 THR B 42 -6.840 5.574 -6.684 1.00 0.00 H new ATOM 0 HG22 THR B 42 -6.801 6.996 -5.615 1.00 0.00 H new ATOM 0 HG23 THR B 42 -5.377 6.585 -6.600 1.00 0.00 H new ATOM 1903 N ASN B 43 -6.206 6.915 -2.139 1.00 0.00 N ATOM 1904 CA ASN B 43 -6.972 7.889 -1.369 1.00 0.00 C ATOM 1905 C ASN B 43 -6.050 9.006 -0.888 1.00 0.00 C ATOM 1906 O ASN B 43 -6.347 10.188 -1.058 1.00 0.00 O ATOM 1907 CB ASN B 43 -7.652 7.202 -0.174 1.00 0.00 C ATOM 1908 CG ASN B 43 -8.656 8.091 0.551 1.00 0.00 C ATOM 1909 OD1 ASN B 43 -8.523 9.315 0.593 1.00 0.00 O ATOM 1910 ND2 ASN B 43 -9.674 7.476 1.133 1.00 0.00 N ATOM 0 H ASN B 43 -6.175 5.983 -1.725 1.00 0.00 H new ATOM 0 HA ASN B 43 -7.745 8.320 -2.005 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -8.161 6.304 -0.523 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -6.887 6.881 0.533 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -10.378 8.018 1.635 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -9.755 6.461 1.079 1.00 0.00 H new ATOM 1917 N ILE B 44 -4.918 8.620 -0.315 1.00 0.00 N ATOM 1918 CA ILE B 44 -3.950 9.580 0.205 1.00 0.00 C ATOM 1919 C ILE B 44 -3.360 10.436 -0.918 1.00 0.00 C ATOM 1920 O ILE B 44 -3.204 11.648 -0.768 1.00 0.00 O ATOM 1921 CB ILE B 44 -2.804 8.869 0.964 1.00 0.00 C ATOM 1922 CG1 ILE B 44 -3.360 8.070 2.147 1.00 0.00 C ATOM 1923 CG2 ILE B 44 -1.762 9.873 1.440 1.00 0.00 C ATOM 1924 CD1 ILE B 44 -4.116 8.911 3.158 1.00 0.00 C ATOM 0 H ILE B 44 -4.645 7.644 -0.198 1.00 0.00 H new ATOM 0 HA ILE B 44 -4.486 10.227 0.900 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.318 8.177 0.276 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -4.023 7.293 1.768 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -2.535 7.567 2.652 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -0.967 9.349 1.970 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -1.341 10.396 0.581 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -2.231 10.594 2.110 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.478 8.273 3.964 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -3.452 9.672 3.568 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -4.963 9.393 2.670 1.00 0.00 H new ATOM 1936 N ILE B 45 -3.049 9.802 -2.044 1.00 0.00 N ATOM 1937 CA ILE B 45 -2.454 10.506 -3.179 1.00 0.00 C ATOM 1938 C ILE B 45 -3.404 11.572 -3.730 1.00 0.00 C ATOM 1939 O ILE B 45 -2.967 12.615 -4.212 1.00 0.00 O ATOM 1940 CB ILE B 45 -2.050 9.528 -4.307 1.00 0.00 C ATOM 1941 CG1 ILE B 45 -1.039 8.505 -3.784 1.00 0.00 C ATOM 1942 CG2 ILE B 45 -1.460 10.285 -5.490 1.00 0.00 C ATOM 1943 CD1 ILE B 45 -0.629 7.471 -4.811 1.00 0.00 C ATOM 0 H ILE B 45 -3.198 8.805 -2.197 1.00 0.00 H new ATOM 0 HA ILE B 45 -1.553 10.997 -2.811 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.945 9.004 -4.642 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -0.150 9.031 -3.437 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -1.465 7.996 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -1.182 9.578 -6.272 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -2.199 10.985 -5.879 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.576 10.834 -5.166 1.00 0.00 H new ATOM 0 HD11 ILE B 45 0.089 6.781 -4.367 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -1.508 6.917 -5.141 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -0.172 7.969 -5.666 1.00 0.00 H new ATOM 1955 N ALA B 46 -4.702 11.324 -3.630 1.00 0.00 N ATOM 1956 CA ALA B 46 -5.699 12.277 -4.109 1.00 0.00 C ATOM 1957 C ALA B 46 -5.739 13.526 -3.229 1.00 0.00 C ATOM 1958 O ALA B 46 -6.309 14.550 -3.610 1.00 0.00 O ATOM 1959 CB ALA B 46 -7.070 11.620 -4.167 1.00 0.00 C ATOM 0 H ALA B 46 -5.091 10.474 -3.223 1.00 0.00 H new ATOM 0 HA ALA B 46 -5.415 12.588 -5.115 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -7.804 12.341 -4.526 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -7.037 10.768 -4.846 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -7.353 11.279 -3.171 1.00 0.00 H new ATOM 1965 N GLN B 47 -5.125 13.438 -2.057 1.00 0.00 N ATOM 1966 CA GLN B 47 -5.073 14.559 -1.126 1.00 0.00 C ATOM 1967 C GLN B 47 -3.791 15.362 -1.341 1.00 0.00 C ATOM 1968 O GLN B 47 -3.559 16.394 -0.701 1.00 0.00 O ATOM 1969 CB GLN B 47 -5.153 14.041 0.312 1.00 0.00 C ATOM 1970 CG GLN B 47 -6.357 13.144 0.554 1.00 0.00 C ATOM 1971 CD GLN B 47 -6.391 12.556 1.951 1.00 0.00 C ATOM 1972 OE1 GLN B 47 -5.910 13.161 2.910 1.00 0.00 O ATOM 1973 NE2 GLN B 47 -6.958 11.366 2.072 1.00 0.00 N ATOM 0 H GLN B 47 -4.653 12.597 -1.726 1.00 0.00 H new ATOM 0 HA GLN B 47 -5.923 15.217 -1.307 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -4.243 13.489 0.545 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -5.195 14.889 0.996 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -7.269 13.717 0.385 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -6.351 12.333 -0.175 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -7.344 10.899 1.251 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -7.009 10.916 2.986 1.00 0.00 H new ATOM 1982 N VAL B 48 -2.967 14.872 -2.253 1.00 0.00 N ATOM 1983 CA VAL B 48 -1.718 15.524 -2.618 1.00 0.00 C ATOM 1984 C VAL B 48 -1.985 16.577 -3.690 1.00 0.00 C ATOM 1985 O VAL B 48 -2.814 16.360 -4.565 1.00 0.00 O ATOM 1986 CB VAL B 48 -0.706 14.488 -3.164 1.00 0.00 C ATOM 1987 CG1 VAL B 48 0.632 15.130 -3.493 1.00 0.00 C ATOM 1988 CG2 VAL B 48 -0.515 13.350 -2.173 1.00 0.00 C ATOM 0 H VAL B 48 -3.146 14.007 -2.764 1.00 0.00 H new ATOM 0 HA VAL B 48 -1.299 15.996 -1.729 1.00 0.00 H new ATOM 0 HB VAL B 48 -1.119 14.085 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL B 48 1.316 14.371 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL B 48 0.489 15.902 -4.249 1.00 0.00 H new ATOM 0 HG13 VAL B 48 1.052 15.578 -2.592 1.00 0.00 H new ATOM 0 HG21 VAL B 48 0.200 12.633 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -0.138 13.748 -1.231 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -1.470 12.853 -2.001 1.00 0.00 H new ATOM 1998 N PRO B 49 -1.324 17.741 -3.624 1.00 0.00 N ATOM 1999 CA PRO B 49 -1.445 18.765 -4.665 1.00 0.00 C ATOM 2000 C PRO B 49 -0.912 18.281 -6.007 1.00 0.00 C ATOM 2001 O PRO B 49 0.074 17.543 -6.064 1.00 0.00 O ATOM 2002 CB PRO B 49 -0.607 19.933 -4.135 1.00 0.00 C ATOM 2003 CG PRO B 49 -0.424 19.660 -2.682 1.00 0.00 C ATOM 2004 CD PRO B 49 -0.441 18.168 -2.531 1.00 0.00 C ATOM 0 HA PRO B 49 -2.485 19.035 -4.851 1.00 0.00 H new ATOM 0 HB2 PRO B 49 0.353 19.992 -4.648 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -1.113 20.885 -4.295 1.00 0.00 H new ATOM 0 HG2 PRO B 49 0.517 20.077 -2.323 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -1.220 20.120 -2.096 1.00 0.00 H new ATOM 0 HD2 PRO B 49 0.557 17.740 -2.627 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -0.826 17.864 -1.558 1.00 0.00 H new ATOM 2012 N GLU B 50 -1.554 18.738 -7.079 1.00 0.00 N ATOM 2013 CA GLU B 50 -1.314 18.227 -8.427 1.00 0.00 C ATOM 2014 C GLU B 50 0.155 18.325 -8.833 1.00 0.00 C ATOM 2015 O GLU B 50 0.656 17.480 -9.579 1.00 0.00 O ATOM 2016 CB GLU B 50 -2.168 18.998 -9.434 1.00 0.00 C ATOM 2017 CG GLU B 50 -2.390 18.248 -10.735 1.00 0.00 C ATOM 2018 CD GLU B 50 -3.262 17.026 -10.542 1.00 0.00 C ATOM 2019 OE1 GLU B 50 -2.744 15.971 -10.126 1.00 0.00 O ATOM 2020 OE2 GLU B 50 -4.483 17.127 -10.773 1.00 0.00 O ATOM 0 H GLU B 50 -2.258 19.475 -7.038 1.00 0.00 H new ATOM 0 HA GLU B 50 -1.589 17.172 -8.425 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -3.135 19.222 -8.983 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -1.688 19.952 -9.651 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -2.854 18.914 -11.463 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -1.428 17.945 -11.148 1.00 0.00 H new ATOM 2027 N SER B 51 0.835 19.350 -8.338 1.00 0.00 N ATOM 2028 CA SER B 51 2.226 19.589 -8.692 1.00 0.00 C ATOM 2029 C SER B 51 3.097 18.364 -8.396 1.00 0.00 C ATOM 2030 O SER B 51 3.870 17.926 -9.250 1.00 0.00 O ATOM 2031 CB SER B 51 2.746 20.816 -7.943 1.00 0.00 C ATOM 2032 OG SER B 51 4.066 21.150 -8.339 1.00 0.00 O ATOM 0 H SER B 51 0.443 20.031 -7.688 1.00 0.00 H new ATOM 0 HA SER B 51 2.281 19.776 -9.765 1.00 0.00 H new ATOM 0 HB2 SER B 51 2.085 21.663 -8.128 1.00 0.00 H new ATOM 0 HB3 SER B 51 2.725 20.624 -6.870 1.00 0.00 H new ATOM 0 HG SER B 51 4.367 21.939 -7.842 1.00 0.00 H new ATOM 2038 N LYS B 52 2.957 17.792 -7.203 1.00 0.00 N ATOM 2039 CA LYS B 52 3.746 16.620 -6.834 1.00 0.00 C ATOM 2040 C LYS B 52 2.894 15.351 -6.840 1.00 0.00 C ATOM 2041 O LYS B 52 3.405 14.261 -6.597 1.00 0.00 O ATOM 2042 CB LYS B 52 4.389 16.796 -5.452 1.00 0.00 C ATOM 2043 CG LYS B 52 3.384 16.939 -4.318 1.00 0.00 C ATOM 2044 CD LYS B 52 4.010 16.652 -2.959 1.00 0.00 C ATOM 2045 CE LYS B 52 5.118 17.633 -2.613 1.00 0.00 C ATOM 2046 NZ LYS B 52 5.794 17.268 -1.340 1.00 0.00 N ATOM 0 H LYS B 52 2.312 18.116 -6.482 1.00 0.00 H new ATOM 0 HA LYS B 52 4.533 16.519 -7.581 1.00 0.00 H new ATOM 0 HB2 LYS B 52 5.031 15.939 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS B 52 5.030 17.678 -5.470 1.00 0.00 H new ATOM 0 HG2 LYS B 52 2.974 17.949 -4.322 1.00 0.00 H new ATOM 0 HG3 LYS B 52 2.551 16.256 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS B 52 3.238 16.694 -2.190 1.00 0.00 H new ATOM 0 HD3 LYS B 52 4.411 15.638 -2.953 1.00 0.00 H new ATOM 0 HE2 LYS B 52 5.850 17.656 -3.421 1.00 0.00 H new ATOM 0 HE3 LYS B 52 4.703 18.637 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 6.544 17.959 -1.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 5.100 17.270 -0.565 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 6.211 16.319 -1.428 1.00 0.00 H new ATOM 2060 N ARG B 53 1.603 15.493 -7.130 1.00 0.00 N ATOM 2061 CA ARG B 53 0.666 14.369 -7.075 1.00 0.00 C ATOM 2062 C ARG B 53 1.045 13.275 -8.069 1.00 0.00 C ATOM 2063 O ARG B 53 0.926 12.088 -7.774 1.00 0.00 O ATOM 2064 CB ARG B 53 -0.765 14.864 -7.321 1.00 0.00 C ATOM 2065 CG ARG B 53 -1.829 13.782 -7.221 1.00 0.00 C ATOM 2066 CD ARG B 53 -3.153 14.341 -6.718 1.00 0.00 C ATOM 2067 NE ARG B 53 -3.634 15.464 -7.521 1.00 0.00 N ATOM 2068 CZ ARG B 53 -4.668 16.239 -7.184 1.00 0.00 C ATOM 2069 NH1 ARG B 53 -5.245 16.110 -5.998 1.00 0.00 N ATOM 2070 NH2 ARG B 53 -5.112 17.160 -8.029 1.00 0.00 N ATOM 0 H ARG B 53 1.179 16.378 -7.407 1.00 0.00 H new ATOM 0 HA ARG B 53 0.718 13.931 -6.078 1.00 0.00 H new ATOM 0 HB2 ARG B 53 -0.994 15.649 -6.601 1.00 0.00 H new ATOM 0 HB3 ARG B 53 -0.815 15.316 -8.312 1.00 0.00 H new ATOM 0 HG2 ARG B 53 -1.975 13.324 -8.199 1.00 0.00 H new ATOM 0 HG3 ARG B 53 -1.487 12.996 -6.548 1.00 0.00 H new ATOM 0 HD2 ARG B 53 -3.902 13.549 -6.723 1.00 0.00 H new ATOM 0 HD3 ARG B 53 -3.037 14.663 -5.683 1.00 0.00 H new ATOM 0 HE ARG B 53 -3.149 15.669 -8.395 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -4.900 15.415 -5.336 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -6.034 16.705 -5.747 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -4.664 17.277 -8.938 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -5.902 17.751 -7.770 1.00 0.00 H new ATOM 2084 N VAL B 54 1.521 13.677 -9.238 1.00 0.00 N ATOM 2085 CA VAL B 54 1.975 12.722 -10.239 1.00 0.00 C ATOM 2086 C VAL B 54 3.335 12.146 -9.835 1.00 0.00 C ATOM 2087 O VAL B 54 3.622 10.960 -10.043 1.00 0.00 O ATOM 2088 CB VAL B 54 2.079 13.377 -11.636 1.00 0.00 C ATOM 2089 CG1 VAL B 54 2.472 12.352 -12.689 1.00 0.00 C ATOM 2090 CG2 VAL B 54 0.768 14.050 -12.013 1.00 0.00 C ATOM 0 H VAL B 54 1.603 14.655 -9.517 1.00 0.00 H new ATOM 0 HA VAL B 54 1.240 11.919 -10.294 1.00 0.00 H new ATOM 0 HB VAL B 54 2.858 14.138 -11.593 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.538 12.838 -13.663 1.00 0.00 H new ATOM 0 HG12 VAL B 54 3.439 11.919 -12.433 1.00 0.00 H new ATOM 0 HG13 VAL B 54 1.721 11.563 -12.727 1.00 0.00 H new ATOM 0 HG21 VAL B 54 0.863 14.505 -12.999 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -0.030 13.308 -12.031 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.531 14.821 -11.280 1.00 0.00 H new ATOM 2100 N ALA B 55 4.153 12.989 -9.220 1.00 0.00 N ATOM 2101 CA ALA B 55 5.493 12.598 -8.811 1.00 0.00 C ATOM 2102 C ALA B 55 5.458 11.581 -7.675 1.00 0.00 C ATOM 2103 O ALA B 55 6.179 10.583 -7.711 1.00 0.00 O ATOM 2104 CB ALA B 55 6.297 13.822 -8.396 1.00 0.00 C ATOM 0 H ALA B 55 3.909 13.953 -8.993 1.00 0.00 H new ATOM 0 HA ALA B 55 5.976 12.126 -9.666 1.00 0.00 H new ATOM 0 HB1 ALA B 55 7.298 13.514 -8.092 1.00 0.00 H new ATOM 0 HB2 ALA B 55 6.369 14.512 -9.237 1.00 0.00 H new ATOM 0 HB3 ALA B 55 5.801 14.317 -7.561 1.00 0.00 H new ATOM 2110 N VAL B 56 4.617 11.826 -6.676 1.00 0.00 N ATOM 2111 CA VAL B 56 4.569 10.965 -5.498 1.00 0.00 C ATOM 2112 C VAL B 56 4.114 9.552 -5.848 1.00 0.00 C ATOM 2113 O VAL B 56 4.654 8.584 -5.320 1.00 0.00 O ATOM 2114 CB VAL B 56 3.673 11.542 -4.374 1.00 0.00 C ATOM 2115 CG1 VAL B 56 4.256 12.840 -3.836 1.00 0.00 C ATOM 2116 CG2 VAL B 56 2.245 11.757 -4.853 1.00 0.00 C ATOM 0 H VAL B 56 3.963 12.608 -6.657 1.00 0.00 H new ATOM 0 HA VAL B 56 5.591 10.922 -5.122 1.00 0.00 H new ATOM 0 HB VAL B 56 3.646 10.811 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL B 56 3.612 13.229 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL B 56 5.251 12.652 -3.432 1.00 0.00 H new ATOM 0 HG13 VAL B 56 4.324 13.570 -4.642 1.00 0.00 H new ATOM 0 HG21 VAL B 56 1.645 12.163 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL B 56 2.243 12.457 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL B 56 1.822 10.806 -5.176 1.00 0.00 H new ATOM 2126 N VAL B 57 3.146 9.427 -6.754 1.00 0.00 N ATOM 2127 CA VAL B 57 2.663 8.110 -7.146 1.00 0.00 C ATOM 2128 C VAL B 57 3.712 7.376 -7.977 1.00 0.00 C ATOM 2129 O VAL B 57 3.886 6.166 -7.836 1.00 0.00 O ATOM 2130 CB VAL B 57 1.314 8.172 -7.908 1.00 0.00 C ATOM 2131 CG1 VAL B 57 1.414 9.034 -9.156 1.00 0.00 C ATOM 2132 CG2 VAL B 57 0.831 6.771 -8.263 1.00 0.00 C ATOM 0 H VAL B 57 2.689 10.209 -7.222 1.00 0.00 H new ATOM 0 HA VAL B 57 2.484 7.554 -6.226 1.00 0.00 H new ATOM 0 HB VAL B 57 0.584 8.635 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL B 57 0.449 9.053 -9.663 1.00 0.00 H new ATOM 0 HG12 VAL B 57 1.697 10.049 -8.876 1.00 0.00 H new ATOM 0 HG13 VAL B 57 2.168 8.619 -9.825 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -0.117 6.837 -8.797 1.00 0.00 H new ATOM 0 HG22 VAL B 57 1.571 6.281 -8.896 1.00 0.00 H new ATOM 0 HG23 VAL B 57 0.693 6.191 -7.350 1.00 0.00 H new ATOM 2142 N ASP B 58 4.440 8.107 -8.818 1.00 0.00 N ATOM 2143 CA ASP B 58 5.483 7.486 -9.626 1.00 0.00 C ATOM 2144 C ASP B 58 6.642 7.041 -8.751 1.00 0.00 C ATOM 2145 O ASP B 58 7.150 5.933 -8.902 1.00 0.00 O ATOM 2146 CB ASP B 58 5.996 8.429 -10.706 1.00 0.00 C ATOM 2147 CG ASP B 58 6.990 7.746 -11.627 1.00 0.00 C ATOM 2148 OD1 ASP B 58 6.602 6.774 -12.309 1.00 0.00 O ATOM 2149 OD2 ASP B 58 8.157 8.183 -11.685 1.00 0.00 O ATOM 0 H ASP B 58 4.330 9.112 -8.956 1.00 0.00 H new ATOM 0 HA ASP B 58 5.039 6.617 -10.112 1.00 0.00 H new ATOM 0 HB2 ASP B 58 5.156 8.802 -11.291 1.00 0.00 H new ATOM 0 HB3 ASP B 58 6.468 9.293 -10.239 1.00 0.00 H new ATOM 2154 N ASN B 59 7.054 7.903 -7.828 1.00 0.00 N ATOM 2155 CA ASN B 59 8.108 7.553 -6.879 1.00 0.00 C ATOM 2156 C ASN B 59 7.675 6.371 -6.024 1.00 0.00 C ATOM 2157 O ASN B 59 8.483 5.505 -5.695 1.00 0.00 O ATOM 2158 CB ASN B 59 8.471 8.745 -5.984 1.00 0.00 C ATOM 2159 CG ASN B 59 9.420 9.724 -6.652 1.00 0.00 C ATOM 2160 OD1 ASN B 59 10.642 9.604 -6.535 1.00 0.00 O ATOM 2161 ND2 ASN B 59 8.870 10.697 -7.356 1.00 0.00 N ATOM 0 H ASN B 59 6.678 8.844 -7.716 1.00 0.00 H new ATOM 0 HA ASN B 59 8.994 7.277 -7.450 1.00 0.00 H new ATOM 0 HB2 ASN B 59 7.559 9.269 -5.700 1.00 0.00 H new ATOM 0 HB3 ASN B 59 8.927 8.376 -5.065 1.00 0.00 H new ATOM 0 HD21 ASN B 59 9.461 11.383 -7.827 1.00 0.00 H new ATOM 0 HD22 ASN B 59 7.855 10.763 -7.429 1.00 0.00 H new ATOM 2168 N PHE B 60 6.393 6.342 -5.678 1.00 0.00 N ATOM 2169 CA PHE B 60 5.817 5.234 -4.930 1.00 0.00 C ATOM 2170 C PHE B 60 5.960 3.938 -5.718 1.00 0.00 C ATOM 2171 O PHE B 60 6.517 2.954 -5.227 1.00 0.00 O ATOM 2172 CB PHE B 60 4.338 5.511 -4.648 1.00 0.00 C ATOM 2173 CG PHE B 60 3.703 4.539 -3.699 1.00 0.00 C ATOM 2174 CD1 PHE B 60 3.848 4.696 -2.332 1.00 0.00 C ATOM 2175 CD2 PHE B 60 2.956 3.476 -4.173 1.00 0.00 C ATOM 2176 CE1 PHE B 60 3.259 3.809 -1.455 1.00 0.00 C ATOM 2177 CE2 PHE B 60 2.367 2.585 -3.300 1.00 0.00 C ATOM 2178 CZ PHE B 60 2.517 2.751 -1.940 1.00 0.00 C ATOM 0 H PHE B 60 5.729 7.081 -5.907 1.00 0.00 H new ATOM 0 HA PHE B 60 6.349 5.132 -3.984 1.00 0.00 H new ATOM 0 HB2 PHE B 60 4.239 6.517 -4.241 1.00 0.00 H new ATOM 0 HB3 PHE B 60 3.790 5.493 -5.590 1.00 0.00 H new ATOM 0 HD1 PHE B 60 4.428 5.522 -1.948 1.00 0.00 H new ATOM 0 HD2 PHE B 60 2.833 3.342 -5.238 1.00 0.00 H new ATOM 0 HE1 PHE B 60 3.378 3.942 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE B 60 1.788 1.757 -3.682 1.00 0.00 H new ATOM 0 HZ PHE B 60 2.055 2.055 -1.255 1.00 0.00 H new ATOM 2188 N THR B 61 5.468 3.956 -6.952 1.00 0.00 N ATOM 2189 CA THR B 61 5.522 2.789 -7.814 1.00 0.00 C ATOM 2190 C THR B 61 6.965 2.393 -8.120 1.00 0.00 C ATOM 2191 O THR B 61 7.295 1.206 -8.199 1.00 0.00 O ATOM 2192 CB THR B 61 4.742 3.028 -9.128 1.00 0.00 C ATOM 2193 OG1 THR B 61 5.200 4.215 -9.794 1.00 0.00 O ATOM 2194 CG2 THR B 61 3.251 3.149 -8.847 1.00 0.00 C ATOM 0 H THR B 61 5.026 4.772 -7.376 1.00 0.00 H new ATOM 0 HA THR B 61 5.048 1.967 -7.278 1.00 0.00 H new ATOM 0 HB THR B 61 4.920 2.171 -9.778 1.00 0.00 H new ATOM 0 HG1 THR B 61 5.878 4.659 -9.243 1.00 0.00 H new ATOM 0 HG21 THR B 61 2.717 3.317 -9.782 1.00 0.00 H new ATOM 0 HG22 THR B 61 2.892 2.230 -8.384 1.00 0.00 H new ATOM 0 HG23 THR B 61 3.075 3.987 -8.173 1.00 0.00 H new ATOM 2202 N LYS B 62 7.822 3.396 -8.272 1.00 0.00 N ATOM 2203 CA LYS B 62 9.238 3.173 -8.526 1.00 0.00 C ATOM 2204 C LYS B 62 9.885 2.448 -7.346 1.00 0.00 C ATOM 2205 O LYS B 62 10.576 1.440 -7.521 1.00 0.00 O ATOM 2206 CB LYS B 62 9.928 4.519 -8.755 1.00 0.00 C ATOM 2207 CG LYS B 62 11.196 4.442 -9.590 1.00 0.00 C ATOM 2208 CD LYS B 62 11.863 5.807 -9.715 1.00 0.00 C ATOM 2209 CE LYS B 62 10.880 6.887 -10.156 1.00 0.00 C ATOM 2210 NZ LYS B 62 10.255 6.595 -11.474 1.00 0.00 N ATOM 0 H LYS B 62 7.556 4.380 -8.223 1.00 0.00 H new ATOM 0 HA LYS B 62 9.348 2.550 -9.414 1.00 0.00 H new ATOM 0 HB2 LYS B 62 9.226 5.194 -9.244 1.00 0.00 H new ATOM 0 HB3 LYS B 62 10.171 4.958 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS B 62 11.891 3.736 -9.135 1.00 0.00 H new ATOM 0 HG3 LYS B 62 10.957 4.060 -10.582 1.00 0.00 H new ATOM 0 HD2 LYS B 62 12.301 6.085 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS B 62 12.681 5.746 -10.433 1.00 0.00 H new ATOM 0 HE2 LYS B 62 10.098 6.990 -9.403 1.00 0.00 H new ATOM 0 HE3 LYS B 62 11.399 7.844 -10.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 9.610 7.369 -11.731 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 10.996 6.507 -12.198 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.721 5.704 -11.415 1.00 0.00 H new ATOM 2224 N ALA B 63 9.635 2.966 -6.144 1.00 0.00 N ATOM 2225 CA ALA B 63 10.193 2.401 -4.920 1.00 0.00 C ATOM 2226 C ALA B 63 9.716 0.971 -4.708 1.00 0.00 C ATOM 2227 O ALA B 63 10.481 0.115 -4.260 1.00 0.00 O ATOM 2228 CB ALA B 63 9.820 3.266 -3.723 1.00 0.00 C ATOM 0 H ALA B 63 9.044 3.784 -5.993 1.00 0.00 H new ATOM 0 HA ALA B 63 11.278 2.383 -5.019 1.00 0.00 H new ATOM 0 HB1 ALA B 63 10.242 2.834 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA B 63 10.215 4.272 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA B 63 8.735 3.312 -3.632 1.00 0.00 H new ATOM 2234 N LEU B 64 8.448 0.722 -5.031 1.00 0.00 N ATOM 2235 CA LEU B 64 7.875 -0.616 -4.931 1.00 0.00 C ATOM 2236 C LEU B 64 8.677 -1.625 -5.745 1.00 0.00 C ATOM 2237 O LEU B 64 9.128 -2.640 -5.214 1.00 0.00 O ATOM 2238 CB LEU B 64 6.420 -0.618 -5.407 1.00 0.00 C ATOM 2239 CG LEU B 64 5.401 -0.061 -4.416 1.00 0.00 C ATOM 2240 CD1 LEU B 64 4.038 0.050 -5.078 1.00 0.00 C ATOM 2241 CD2 LEU B 64 5.324 -0.949 -3.185 1.00 0.00 C ATOM 0 H LEU B 64 7.797 1.433 -5.365 1.00 0.00 H new ATOM 0 HA LEU B 64 7.911 -0.908 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU B 64 6.357 -0.040 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU B 64 6.138 -1.642 -5.653 1.00 0.00 H new ATOM 0 HG LEU B 64 5.719 0.934 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU B 64 3.318 0.448 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU B 64 4.104 0.718 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU B 64 3.713 -0.936 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU B 64 4.594 -0.540 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU B 64 5.021 -1.954 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU B 64 6.302 -0.991 -2.705 1.00 0.00 H new ATOM 2253 N LYS B 65 8.863 -1.332 -7.030 1.00 0.00 N ATOM 2254 CA LYS B 65 9.568 -2.239 -7.933 1.00 0.00 C ATOM 2255 C LYS B 65 10.972 -2.547 -7.414 1.00 0.00 C ATOM 2256 O LYS B 65 11.415 -3.697 -7.434 1.00 0.00 O ATOM 2257 CB LYS B 65 9.661 -1.641 -9.339 1.00 0.00 C ATOM 2258 CG LYS B 65 8.313 -1.334 -9.975 1.00 0.00 C ATOM 2259 CD LYS B 65 8.478 -0.817 -11.397 1.00 0.00 C ATOM 2260 CE LYS B 65 7.149 -0.388 -12.004 1.00 0.00 C ATOM 2261 NZ LYS B 65 6.190 -1.519 -12.128 1.00 0.00 N ATOM 0 H LYS B 65 8.535 -0.472 -7.470 1.00 0.00 H new ATOM 0 HA LYS B 65 8.998 -3.167 -7.978 1.00 0.00 H new ATOM 0 HB2 LYS B 65 10.247 -0.723 -9.293 1.00 0.00 H new ATOM 0 HB3 LYS B 65 10.204 -2.334 -9.982 1.00 0.00 H new ATOM 0 HG2 LYS B 65 7.698 -2.234 -9.982 1.00 0.00 H new ATOM 0 HG3 LYS B 65 7.786 -0.592 -9.375 1.00 0.00 H new ATOM 0 HD2 LYS B 65 9.167 0.028 -11.398 1.00 0.00 H new ATOM 0 HD3 LYS B 65 8.926 -1.594 -12.016 1.00 0.00 H new ATOM 0 HE2 LYS B 65 6.706 0.394 -11.387 1.00 0.00 H new ATOM 0 HE3 LYS B 65 7.325 0.045 -12.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 5.244 -1.206 -11.830 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 6.154 -1.837 -13.118 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 6.501 -2.306 -11.523 1.00 0.00 H new ATOM 2275 N GLN B 66 11.655 -1.517 -6.928 1.00 0.00 N ATOM 2276 CA GLN B 66 13.023 -1.668 -6.440 1.00 0.00 C ATOM 2277 C GLN B 66 13.066 -2.484 -5.149 1.00 0.00 C ATOM 2278 O GLN B 66 14.019 -3.225 -4.900 1.00 0.00 O ATOM 2279 CB GLN B 66 13.660 -0.295 -6.207 1.00 0.00 C ATOM 2280 CG GLN B 66 13.746 0.569 -7.457 1.00 0.00 C ATOM 2281 CD GLN B 66 14.578 -0.064 -8.555 1.00 0.00 C ATOM 2282 OE1 GLN B 66 15.794 0.122 -8.613 1.00 0.00 O ATOM 2283 NE2 GLN B 66 13.927 -0.791 -9.447 1.00 0.00 N ATOM 0 H GLN B 66 11.285 -0.569 -6.861 1.00 0.00 H new ATOM 0 HA GLN B 66 13.589 -2.204 -7.202 1.00 0.00 H new ATOM 0 HB2 GLN B 66 13.085 0.237 -5.449 1.00 0.00 H new ATOM 0 HB3 GLN B 66 14.663 -0.435 -5.805 1.00 0.00 H new ATOM 0 HG2 GLN B 66 12.740 0.757 -7.833 1.00 0.00 H new ATOM 0 HG3 GLN B 66 14.174 1.536 -7.195 1.00 0.00 H new ATOM 0 HE21 GLN B 66 12.919 -0.920 -9.362 1.00 0.00 H new ATOM 0 HE22 GLN B 66 14.433 -1.223 -10.220 1.00 0.00 H new ATOM 2292 N SER B 67 12.027 -2.355 -4.333 1.00 0.00 N ATOM 2293 CA SER B 67 11.979 -3.030 -3.044 1.00 0.00 C ATOM 2294 C SER B 67 11.591 -4.499 -3.190 1.00 0.00 C ATOM 2295 O SER B 67 11.900 -5.316 -2.325 1.00 0.00 O ATOM 2296 CB SER B 67 11.006 -2.310 -2.112 1.00 0.00 C ATOM 2297 OG SER B 67 11.405 -0.962 -1.925 1.00 0.00 O ATOM 0 H SER B 67 11.205 -1.788 -4.542 1.00 0.00 H new ATOM 0 HA SER B 67 12.979 -2.998 -2.612 1.00 0.00 H new ATOM 0 HB2 SER B 67 10.000 -2.343 -2.530 1.00 0.00 H new ATOM 0 HB3 SER B 67 10.968 -2.821 -1.150 1.00 0.00 H new ATOM 0 HG SER B 67 11.041 -0.410 -2.648 1.00 0.00 H new ATOM 2303 N VAL B 68 10.917 -4.831 -4.279 1.00 0.00 N ATOM 2304 CA VAL B 68 10.556 -6.213 -4.553 1.00 0.00 C ATOM 2305 C VAL B 68 11.697 -6.929 -5.266 1.00 0.00 C ATOM 2306 O VAL B 68 12.011 -8.080 -4.960 1.00 0.00 O ATOM 2307 CB VAL B 68 9.270 -6.300 -5.403 1.00 0.00 C ATOM 2308 CG1 VAL B 68 8.940 -7.744 -5.750 1.00 0.00 C ATOM 2309 CG2 VAL B 68 8.107 -5.651 -4.670 1.00 0.00 C ATOM 0 H VAL B 68 10.609 -4.164 -4.987 1.00 0.00 H new ATOM 0 HA VAL B 68 10.367 -6.701 -3.597 1.00 0.00 H new ATOM 0 HB VAL B 68 9.443 -5.761 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL B 68 8.030 -7.775 -6.349 1.00 0.00 H new ATOM 0 HG12 VAL B 68 9.763 -8.179 -6.317 1.00 0.00 H new ATOM 0 HG13 VAL B 68 8.791 -8.314 -4.833 1.00 0.00 H new ATOM 0 HG21 VAL B 68 7.207 -5.720 -5.282 1.00 0.00 H new ATOM 0 HG22 VAL B 68 7.942 -6.164 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL B 68 8.337 -4.603 -4.479 1.00 0.00 H new ATOM 2319 N LEU B 69 12.324 -6.232 -6.207 1.00 0.00 N ATOM 2320 CA LEU B 69 13.426 -6.794 -6.975 1.00 0.00 C ATOM 2321 C LEU B 69 14.626 -7.056 -6.065 1.00 0.00 C ATOM 2322 O LEU B 69 15.119 -8.183 -5.977 1.00 0.00 O ATOM 2323 CB LEU B 69 13.804 -5.835 -8.116 1.00 0.00 C ATOM 2324 CG LEU B 69 14.602 -6.444 -9.277 1.00 0.00 C ATOM 2325 CD1 LEU B 69 14.559 -5.519 -10.482 1.00 0.00 C ATOM 2326 CD2 LEU B 69 16.047 -6.696 -8.876 1.00 0.00 C ATOM 0 H LEU B 69 12.085 -5.272 -6.456 1.00 0.00 H new ATOM 0 HA LEU B 69 13.115 -7.745 -7.407 1.00 0.00 H new ATOM 0 HB2 LEU B 69 12.888 -5.404 -8.519 1.00 0.00 H new ATOM 0 HB3 LEU B 69 14.384 -5.014 -7.695 1.00 0.00 H new ATOM 0 HG LEU B 69 14.145 -7.399 -9.535 1.00 0.00 H new ATOM 0 HD11 LEU B 69 15.128 -5.960 -11.300 1.00 0.00 H new ATOM 0 HD12 LEU B 69 13.525 -5.377 -10.795 1.00 0.00 H new ATOM 0 HD13 LEU B 69 14.993 -4.555 -10.216 1.00 0.00 H new ATOM 0 HD21 LEU B 69 16.588 -7.128 -9.718 1.00 0.00 H new ATOM 0 HD22 LEU B 69 16.514 -5.754 -8.589 1.00 0.00 H new ATOM 0 HD23 LEU B 69 16.076 -7.387 -8.034 1.00 0.00 H new ATOM 2338 N GLU B 70 15.087 -6.016 -5.388 1.00 0.00 N ATOM 2339 CA GLU B 70 16.237 -6.130 -4.502 1.00 0.00 C ATOM 2340 C GLU B 70 15.833 -6.708 -3.156 1.00 0.00 C ATOM 2341 O GLU B 70 16.308 -7.774 -2.758 1.00 0.00 O ATOM 2342 CB GLU B 70 16.894 -4.764 -4.309 1.00 0.00 C ATOM 2343 CG GLU B 70 17.626 -4.266 -5.541 1.00 0.00 C ATOM 2344 CD GLU B 70 18.861 -5.089 -5.848 1.00 0.00 C ATOM 2345 OE1 GLU B 70 18.735 -6.139 -6.510 1.00 0.00 O ATOM 2346 OE2 GLU B 70 19.964 -4.691 -5.417 1.00 0.00 O ATOM 0 H GLU B 70 14.682 -5.081 -5.435 1.00 0.00 H new ATOM 0 HA GLU B 70 16.954 -6.808 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU B 70 16.130 -4.038 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU B 70 17.596 -4.821 -3.477 1.00 0.00 H new ATOM 0 HG2 GLU B 70 16.952 -4.293 -6.397 1.00 0.00 H new ATOM 0 HG3 GLU B 70 17.913 -3.225 -5.394 1.00 0.00 H new ATOM 2353 N HIS B 71 14.948 -5.988 -2.478 1.00 0.00 N ATOM 2354 CA HIS B 71 14.459 -6.348 -1.142 1.00 0.00 C ATOM 2355 C HIS B 71 15.571 -6.287 -0.094 1.00 0.00 C ATOM 2356 O HIS B 71 15.577 -5.395 0.753 1.00 0.00 O ATOM 2357 CB HIS B 71 13.801 -7.739 -1.138 1.00 0.00 C ATOM 2358 CG HIS B 71 13.162 -8.094 0.177 1.00 0.00 C ATOM 2359 ND1 HIS B 71 11.834 -7.853 0.455 1.00 0.00 N ATOM 2360 CD2 HIS B 71 13.677 -8.664 1.295 1.00 0.00 C ATOM 2361 CE1 HIS B 71 11.562 -8.253 1.685 1.00 0.00 C ATOM 2362 NE2 HIS B 71 12.662 -8.749 2.214 1.00 0.00 N ATOM 0 H HIS B 71 14.541 -5.126 -2.840 1.00 0.00 H new ATOM 0 HA HIS B 71 13.703 -5.609 -0.876 1.00 0.00 H new ATOM 0 HB2 HIS B 71 13.046 -7.778 -1.923 1.00 0.00 H new ATOM 0 HB3 HIS B 71 14.553 -8.489 -1.382 1.00 0.00 H new ATOM 0 HD2 HIS B 71 14.697 -8.990 1.436 1.00 0.00 H new ATOM 0 HE1 HIS B 71 10.601 -8.185 2.173 1.00 0.00 H new ATOM 0 HE2 HIS B 71 12.745 -9.134 3.155 1.00 0.00 H new ATOM 2371 N HIS B 72 16.501 -7.231 -0.176 1.00 0.00 N ATOM 2372 CA HIS B 72 17.533 -7.422 0.838 1.00 0.00 C ATOM 2373 C HIS B 72 18.418 -6.188 1.002 1.00 0.00 C ATOM 2374 O HIS B 72 19.316 -5.951 0.197 1.00 0.00 O ATOM 2375 CB HIS B 72 18.390 -8.643 0.483 1.00 0.00 C ATOM 2376 CG HIS B 72 19.464 -8.947 1.481 1.00 0.00 C ATOM 2377 ND1 HIS B 72 20.802 -8.989 1.157 1.00 0.00 N ATOM 2378 CD2 HIS B 72 19.390 -9.228 2.804 1.00 0.00 C ATOM 2379 CE1 HIS B 72 21.502 -9.280 2.235 1.00 0.00 C ATOM 2380 NE2 HIS B 72 20.670 -9.429 3.248 1.00 0.00 N ATOM 0 H HIS B 72 16.561 -7.890 -0.952 1.00 0.00 H new ATOM 0 HA HIS B 72 17.031 -7.588 1.791 1.00 0.00 H new ATOM 0 HB2 HIS B 72 17.741 -9.513 0.387 1.00 0.00 H new ATOM 0 HB3 HIS B 72 18.850 -8.480 -0.492 1.00 0.00 H new ATOM 0 HD2 HIS B 72 18.490 -9.283 3.398 1.00 0.00 H new ATOM 0 HE1 HIS B 72 22.576 -9.380 2.281 1.00 0.00 H new ATOM 0 HE2 HIS B 72 20.937 -9.657 4.206 1.00 0.00 H new ATOM 2389 N HIS B 73 18.134 -5.420 2.057 1.00 0.00 N ATOM 2390 CA HIS B 73 18.937 -4.262 2.463 1.00 0.00 C ATOM 2391 C HIS B 73 19.317 -3.374 1.275 1.00 0.00 C ATOM 2392 O HIS B 73 20.415 -3.484 0.730 1.00 0.00 O ATOM 2393 CB HIS B 73 20.196 -4.733 3.217 1.00 0.00 C ATOM 2394 CG HIS B 73 21.036 -3.626 3.785 1.00 0.00 C ATOM 2395 ND1 HIS B 73 20.888 -3.149 5.073 1.00 0.00 N ATOM 2396 CD2 HIS B 73 22.050 -2.912 3.239 1.00 0.00 C ATOM 2397 CE1 HIS B 73 21.768 -2.187 5.286 1.00 0.00 C ATOM 2398 NE2 HIS B 73 22.482 -2.027 4.190 1.00 0.00 N ATOM 0 H HIS B 73 17.330 -5.587 2.662 1.00 0.00 H new ATOM 0 HA HIS B 73 18.325 -3.653 3.129 1.00 0.00 H new ATOM 0 HB2 HIS B 73 19.891 -5.393 4.029 1.00 0.00 H new ATOM 0 HB3 HIS B 73 20.810 -5.325 2.538 1.00 0.00 H new ATOM 0 HD2 HIS B 73 22.444 -3.021 2.239 1.00 0.00 H new ATOM 0 HE1 HIS B 73 21.883 -1.627 6.202 1.00 0.00 H new ATOM 0 HE2 HIS B 73 23.236 -1.351 4.069 1.00 0.00 H new ATOM 2407 N HIS B 74 18.410 -2.499 0.868 1.00 0.00 N ATOM 2408 CA HIS B 74 18.705 -1.572 -0.216 1.00 0.00 C ATOM 2409 C HIS B 74 18.442 -0.135 0.230 1.00 0.00 C ATOM 2410 O HIS B 74 17.307 0.245 0.520 1.00 0.00 O ATOM 2411 CB HIS B 74 17.918 -1.924 -1.499 1.00 0.00 C ATOM 2412 CG HIS B 74 16.457 -1.569 -1.480 1.00 0.00 C ATOM 2413 ND1 HIS B 74 15.916 -0.576 -2.273 1.00 0.00 N ATOM 2414 CD2 HIS B 74 15.423 -2.085 -0.772 1.00 0.00 C ATOM 2415 CE1 HIS B 74 14.618 -0.496 -2.052 1.00 0.00 C ATOM 2416 NE2 HIS B 74 14.292 -1.401 -1.148 1.00 0.00 N ATOM 0 H HIS B 74 17.475 -2.411 1.265 1.00 0.00 H new ATOM 0 HA HIS B 74 19.763 -1.664 -0.463 1.00 0.00 H new ATOM 0 HB2 HIS B 74 18.386 -1.417 -2.342 1.00 0.00 H new ATOM 0 HB3 HIS B 74 18.012 -2.995 -1.679 1.00 0.00 H new ATOM 0 HD2 HIS B 74 15.478 -2.884 -0.048 1.00 0.00 H new ATOM 0 HE1 HIS B 74 13.937 0.193 -2.530 1.00 0.00 H new ATOM 0 HE2 HIS B 74 13.352 -1.566 -0.787 1.00 0.00 H new ATOM 2425 N HIS B 75 19.512 0.642 0.319 1.00 0.00 N ATOM 2426 CA HIS B 75 19.432 2.043 0.722 1.00 0.00 C ATOM 2427 C HIS B 75 20.807 2.677 0.598 1.00 0.00 C ATOM 2428 O HIS B 75 21.781 2.161 1.148 1.00 0.00 O ATOM 2429 CB HIS B 75 18.935 2.175 2.169 1.00 0.00 C ATOM 2430 CG HIS B 75 18.543 3.573 2.556 1.00 0.00 C ATOM 2431 ND1 HIS B 75 19.430 4.502 3.063 1.00 0.00 N ATOM 2432 CD2 HIS B 75 17.340 4.195 2.512 1.00 0.00 C ATOM 2433 CE1 HIS B 75 18.787 5.630 3.312 1.00 0.00 C ATOM 2434 NE2 HIS B 75 17.520 5.469 2.986 1.00 0.00 N ATOM 0 H HIS B 75 20.459 0.322 0.115 1.00 0.00 H new ATOM 0 HA HIS B 75 18.722 2.552 0.070 1.00 0.00 H new ATOM 0 HB2 HIS B 75 18.078 1.516 2.309 1.00 0.00 H new ATOM 0 HB3 HIS B 75 19.717 1.828 2.844 1.00 0.00 H new ATOM 0 HD2 HIS B 75 16.411 3.766 2.167 1.00 0.00 H new ATOM 0 HE1 HIS B 75 19.226 6.531 3.714 1.00 0.00 H new ATOM 0 HE2 HIS B 75 16.791 6.178 3.072 1.00 0.00 H new ATOM 2443 N HIS B 76 20.893 3.779 -0.122 1.00 0.00 N ATOM 2444 CA HIS B 76 22.163 4.464 -0.277 1.00 0.00 C ATOM 2445 C HIS B 76 21.973 5.969 -0.121 1.00 0.00 C ATOM 2446 O HIS B 76 21.484 6.622 -1.061 1.00 0.00 O ATOM 2447 CB HIS B 76 22.840 4.096 -1.614 1.00 0.00 C ATOM 2448 CG HIS B 76 22.156 4.597 -2.855 1.00 0.00 C ATOM 2449 ND1 HIS B 76 22.753 5.483 -3.720 1.00 0.00 N ATOM 2450 CD2 HIS B 76 20.939 4.322 -3.384 1.00 0.00 C ATOM 2451 CE1 HIS B 76 21.935 5.741 -4.720 1.00 0.00 C ATOM 2452 NE2 HIS B 76 20.829 5.046 -4.544 1.00 0.00 N ATOM 2453 OXT HIS B 76 22.276 6.487 0.972 1.00 0.00 O ATOM 0 H HIS B 76 20.108 4.216 -0.605 1.00 0.00 H new ATOM 0 HA HIS B 76 22.837 4.132 0.513 1.00 0.00 H new ATOM 0 HB2 HIS B 76 23.859 4.484 -1.602 1.00 0.00 H new ATOM 0 HB3 HIS B 76 22.913 3.010 -1.676 1.00 0.00 H new ATOM 0 HD2 HIS B 76 20.195 3.657 -2.970 1.00 0.00 H new ATOM 0 HE1 HIS B 76 22.137 6.409 -5.544 1.00 0.00 H new ATOM 0 HE2 HIS B 76 20.023 5.046 -5.169 1.00 0.00 H new TER 2462 HIS B 76