USER MOD reduce.3.24.130724 H: found=0, std=0, add=1275, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1275 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 LYS NZ :NH3+ 151:sc= 0.573 (180deg=0) USER MOD Set 1.2: A 147 TYR OH : rot 2:sc= 1.1 USER MOD Set 2.1: A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 34 ASN : amide:sc= -3.62! C(o=-3.3!,f=-5!) USER MOD Set 3.2: A 37 ASN : amide:sc= 0.313 K(o=-3.3,f=-4.5) USER MOD Set 4.1: A 26 ASN : amide:sc= -4.1! C(o=-5!,f=-6!) USER MOD Set 4.2: A 27 SER OG : rot 140:sc= 0.247 USER MOD Set 4.3: A 49 GLN : amide:sc= -1.12 K(o=-5,f=-8.3!) USER MOD Set 5.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 18 THR OG1 : rot 92:sc= 0.863 USER MOD Set 5.3: A 24 TYR OH : rot 84:sc=-0.00493 USER MOD Set 5.4: A 36 SER OG : rot -126:sc= 0.804 USER MOD Set 6.1: A 12 TYR OH : rot 180:sc= -0.473 USER MOD Set 6.2: A 73 HIS : no HD1:sc= 0 X(o=-0.47,f=-0.48) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 1.46 (180deg=0.124!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 148:sc= 0.706 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 1:sc= 0.535 USER MOD Single : A 16 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 20 MET CE :methyl -129:sc= -0.733 (180deg=-4.18!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -24:sc= 0.00844 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0534 K(o=-0.053,f=-1.8!) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0708) USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 0.625 (180deg=0.5) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.429 USER MOD Single : A 58 MET CE :methyl 145:sc= -2 (180deg=-3.13!) USER MOD Single : A 62 THR OG1 : rot 118:sc= 0.116 USER MOD Single : A 64 LYS NZ :NH3+ -106:sc= 0.198 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.226 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= 0.561 (180deg=0.395) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 114 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.0029) USER MOD Single : A 115 THR OG1 : rot -110:sc= -0.208 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 119 TYR OH : rot -146:sc= 0.105 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 122 TYR OH : rot 180:sc= 0.00675 USER MOD Single : A 124 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.16) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= -0.0284 X(o=-0.028,f=-0.0066) USER MOD Single : A 140 GLN : amide:sc= -1.84! C(o=-1.8!,f=-4.7!) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= -0.471 K(o=-0.47,f=-2.4!) USER MOD Single : A 155 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-3.9!) USER MOD Single : A 156 HIS :FLIP no HE2:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 158 HIS : no HD1:sc= -0.213 K(o=-0.21,f=-1.6) USER MOD Single : A 159 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.32) USER MOD Single : A 160 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -29.133 4.460 0.680 1.00 0.00 N ATOM 2 CA MET A 1 -30.149 3.443 1.006 1.00 52.33 C ATOM 3 C MET A 1 -29.515 2.047 0.896 1.00 32.11 C ATOM 4 O MET A 1 -29.112 1.451 1.904 1.00 62.01 O ATOM 5 CB MET A 1 -31.388 3.556 0.057 1.00 0.14 C ATOM 6 CG MET A 1 -32.071 4.930 0.015 1.00 71.43 C ATOM 7 SD MET A 1 -31.022 6.217 -0.694 1.00 33.24 S ATOM 8 CE MET A 1 -32.118 7.638 -0.682 1.00 33.24 C ATOM 0 H1 MET A 1 -29.587 5.262 0.199 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.681 4.792 1.556 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.413 4.044 0.055 1.00 0.00 H new ATOM 0 HA MET A 1 -30.500 3.608 2.025 1.00 52.33 H new ATOM 0 HB2 MET A 1 -31.073 3.296 -0.954 1.00 0.14 H new ATOM 0 HB3 MET A 1 -32.125 2.813 0.362 1.00 0.14 H new ATOM 0 HG2 MET A 1 -32.989 4.856 -0.567 1.00 71.43 H new ATOM 0 HG3 MET A 1 -32.357 5.218 1.026 1.00 71.43 H new ATOM 0 HE1 MET A 1 -31.597 8.503 -1.093 1.00 33.24 H new ATOM 0 HE2 MET A 1 -32.999 7.423 -1.287 1.00 33.24 H new ATOM 0 HE3 MET A 1 -32.425 7.852 0.342 1.00 33.24 H new ATOM 20 N VAL A 2 -29.388 1.569 -0.360 1.00 24.40 N ATOM 21 CA VAL A 2 -28.907 0.221 -0.718 1.00 42.23 C ATOM 22 C VAL A 2 -28.324 0.288 -2.144 1.00 51.14 C ATOM 23 O VAL A 2 -28.909 -0.199 -3.121 1.00 13.50 O ATOM 24 CB VAL A 2 -30.030 -0.908 -0.607 1.00 53.34 C ATOM 25 CG1 VAL A 2 -30.200 -1.425 0.846 1.00 23.45 C ATOM 26 CG2 VAL A 2 -31.384 -0.409 -1.189 1.00 51.15 C ATOM 0 H VAL A 2 -29.626 2.130 -1.178 1.00 24.40 H new ATOM 0 HA VAL A 2 -28.142 -0.072 0.001 1.00 42.23 H new ATOM 0 HB VAL A 2 -29.694 -1.754 -1.207 1.00 53.34 H new ATOM 0 HG11 VAL A 2 -30.975 -2.191 0.871 1.00 23.45 H new ATOM 0 HG12 VAL A 2 -29.258 -1.849 1.194 1.00 23.45 H new ATOM 0 HG13 VAL A 2 -30.487 -0.598 1.495 1.00 23.45 H new ATOM 0 HG21 VAL A 2 -32.131 -1.198 -1.101 1.00 51.15 H new ATOM 0 HG22 VAL A 2 -31.716 0.469 -0.635 1.00 51.15 H new ATOM 0 HG23 VAL A 2 -31.254 -0.148 -2.239 1.00 51.15 H new ATOM 36 N GLU A 3 -27.188 0.981 -2.255 1.00 15.12 N ATOM 37 CA GLU A 3 -26.479 1.196 -3.537 1.00 4.53 C ATOM 38 C GLU A 3 -25.518 0.021 -3.808 1.00 43.23 C ATOM 39 O GLU A 3 -25.157 -0.697 -2.870 1.00 14.42 O ATOM 40 CB GLU A 3 -25.691 2.548 -3.507 1.00 0.13 C ATOM 41 CG GLU A 3 -26.563 3.824 -3.454 1.00 12.00 C ATOM 42 CD GLU A 3 -27.429 3.943 -2.187 1.00 5.25 C ATOM 43 OE1 GLU A 3 -26.857 4.023 -1.085 1.00 73.11 O ATOM 44 OE2 GLU A 3 -28.679 3.918 -2.278 1.00 10.31 O ATOM 0 H GLU A 3 -26.724 1.415 -1.457 1.00 15.12 H new ATOM 0 HA GLU A 3 -27.213 1.245 -4.341 1.00 4.53 H new ATOM 0 HB2 GLU A 3 -25.030 2.544 -2.640 1.00 0.13 H new ATOM 0 HB3 GLU A 3 -25.057 2.599 -4.392 1.00 0.13 H new ATOM 0 HG2 GLU A 3 -25.914 4.697 -3.521 1.00 12.00 H new ATOM 0 HG3 GLU A 3 -27.213 3.843 -4.328 1.00 12.00 H new ATOM 51 N PRO A 4 -25.112 -0.216 -5.101 1.00 34.22 N ATOM 52 CA PRO A 4 -24.040 -1.187 -5.446 1.00 73.40 C ATOM 53 C PRO A 4 -22.724 -0.967 -4.666 1.00 34.13 C ATOM 54 O PRO A 4 -22.513 0.115 -4.093 1.00 4.24 O ATOM 55 CB PRO A 4 -23.832 -0.945 -6.958 1.00 72.43 C ATOM 56 CG PRO A 4 -25.164 -0.463 -7.449 1.00 30.53 C ATOM 57 CD PRO A 4 -25.716 0.385 -6.328 1.00 33.44 C ATOM 0 HA PRO A 4 -24.324 -2.207 -5.187 1.00 73.40 H new ATOM 0 HB2 PRO A 4 -23.052 -0.205 -7.138 1.00 72.43 H new ATOM 0 HB3 PRO A 4 -23.528 -1.859 -7.468 1.00 72.43 H new ATOM 0 HG2 PRO A 4 -25.059 0.116 -8.366 1.00 30.53 H new ATOM 0 HG3 PRO A 4 -25.827 -1.299 -7.674 1.00 30.53 H new ATOM 0 HD2 PRO A 4 -25.435 1.432 -6.442 1.00 33.44 H new ATOM 0 HD3 PRO A 4 -26.805 0.349 -6.297 1.00 33.44 H new ATOM 65 N GLY A 5 -21.847 -1.990 -4.659 1.00 61.35 N ATOM 66 CA GLY A 5 -20.538 -1.893 -4.001 1.00 74.10 C ATOM 67 C GLY A 5 -19.565 -1.003 -4.782 1.00 53.32 C ATOM 68 O GLY A 5 -18.577 -1.485 -5.352 1.00 24.12 O ATOM 0 H GLY A 5 -22.025 -2.891 -5.103 1.00 61.35 H new ATOM 0 HA2 GLY A 5 -20.667 -1.493 -2.995 1.00 74.10 H new ATOM 0 HA3 GLY A 5 -20.111 -2.890 -3.895 1.00 74.10 H new ATOM 72 N VAL A 6 -19.859 0.310 -4.791 1.00 14.51 N ATOM 73 CA VAL A 6 -19.120 1.325 -5.554 1.00 24.24 C ATOM 74 C VAL A 6 -17.902 1.827 -4.739 1.00 71.24 C ATOM 75 O VAL A 6 -17.884 2.928 -4.167 1.00 74.43 O ATOM 76 CB VAL A 6 -20.088 2.500 -6.014 1.00 32.30 C ATOM 77 CG1 VAL A 6 -21.104 1.995 -7.071 1.00 63.24 C ATOM 78 CG2 VAL A 6 -20.843 3.149 -4.819 1.00 3.02 C ATOM 0 H VAL A 6 -20.634 0.700 -4.255 1.00 14.51 H new ATOM 0 HA VAL A 6 -18.727 0.876 -6.466 1.00 24.24 H new ATOM 0 HB VAL A 6 -19.457 3.268 -6.460 1.00 32.30 H new ATOM 0 HG11 VAL A 6 -21.756 2.816 -7.371 1.00 63.24 H new ATOM 0 HG12 VAL A 6 -20.567 1.621 -7.943 1.00 63.24 H new ATOM 0 HG13 VAL A 6 -21.705 1.192 -6.644 1.00 63.24 H new ATOM 0 HG21 VAL A 6 -21.490 3.945 -5.187 1.00 3.02 H new ATOM 0 HG22 VAL A 6 -21.447 2.393 -4.317 1.00 3.02 H new ATOM 0 HG23 VAL A 6 -20.122 3.564 -4.115 1.00 3.02 H new ATOM 88 N ALA A 7 -16.877 0.957 -4.676 1.00 34.02 N ATOM 89 CA ALA A 7 -15.692 1.161 -3.836 1.00 2.24 C ATOM 90 C ALA A 7 -14.465 0.499 -4.486 1.00 50.25 C ATOM 91 O ALA A 7 -14.048 -0.609 -4.108 1.00 30.32 O ATOM 92 CB ALA A 7 -15.960 0.609 -2.428 1.00 33.21 C ATOM 0 H ALA A 7 -16.852 0.089 -5.211 1.00 34.02 H new ATOM 0 HA ALA A 7 -15.480 2.226 -3.746 1.00 2.24 H new ATOM 0 HB1 ALA A 7 -15.079 0.761 -1.804 1.00 33.21 H new ATOM 0 HB2 ALA A 7 -16.810 1.130 -1.989 1.00 33.21 H new ATOM 0 HB3 ALA A 7 -16.181 -0.457 -2.491 1.00 33.21 H new ATOM 98 N LYS A 8 -13.939 1.174 -5.517 1.00 13.22 N ATOM 99 CA LYS A 8 -12.737 0.747 -6.264 1.00 23.42 C ATOM 100 C LYS A 8 -11.798 1.954 -6.445 1.00 41.11 C ATOM 101 O LYS A 8 -12.097 3.066 -5.988 1.00 4.13 O ATOM 102 CB LYS A 8 -13.137 0.179 -7.664 1.00 3.24 C ATOM 103 CG LYS A 8 -14.026 -1.089 -7.643 1.00 1.12 C ATOM 104 CD LYS A 8 -14.364 -1.596 -9.068 1.00 2.25 C ATOM 105 CE LYS A 8 -15.161 -0.575 -9.903 1.00 73.25 C ATOM 106 NZ LYS A 8 -15.418 -1.057 -11.295 1.00 55.11 N ATOM 0 H LYS A 8 -14.339 2.046 -5.865 1.00 13.22 H new ATOM 0 HA LYS A 8 -12.229 -0.037 -5.702 1.00 23.42 H new ATOM 0 HB2 LYS A 8 -13.661 0.959 -8.216 1.00 3.24 H new ATOM 0 HB3 LYS A 8 -12.226 -0.047 -8.218 1.00 3.24 H new ATOM 0 HG2 LYS A 8 -13.516 -1.878 -7.091 1.00 1.12 H new ATOM 0 HG3 LYS A 8 -14.951 -0.872 -7.108 1.00 1.12 H new ATOM 0 HD2 LYS A 8 -13.438 -1.838 -9.590 1.00 2.25 H new ATOM 0 HD3 LYS A 8 -14.938 -2.520 -8.991 1.00 2.25 H new ATOM 0 HE2 LYS A 8 -16.112 -0.370 -9.411 1.00 73.25 H new ATOM 0 HE3 LYS A 8 -14.612 0.366 -9.942 1.00 73.25 H new ATOM 0 HZ1 LYS A 8 -15.957 -0.337 -11.818 1.00 55.11 H new ATOM 0 HZ2 LYS A 8 -14.512 -1.228 -11.776 1.00 55.11 H new ATOM 0 HZ3 LYS A 8 -15.965 -1.941 -11.261 1.00 55.11 H new ATOM 120 N LEU A 9 -10.663 1.706 -7.110 1.00 30.15 N ATOM 121 CA LEU A 9 -9.739 2.747 -7.588 1.00 22.31 C ATOM 122 C LEU A 9 -9.258 2.333 -8.989 1.00 34.03 C ATOM 123 O LEU A 9 -9.022 1.139 -9.241 1.00 71.14 O ATOM 124 CB LEU A 9 -8.525 2.917 -6.621 1.00 71.15 C ATOM 125 CG LEU A 9 -7.528 4.068 -6.959 1.00 74.25 C ATOM 126 CD1 LEU A 9 -8.198 5.443 -6.800 1.00 43.45 C ATOM 127 CD2 LEU A 9 -6.233 3.954 -6.120 1.00 41.21 C ATOM 0 H LEU A 9 -10.354 0.761 -7.336 1.00 30.15 H new ATOM 0 HA LEU A 9 -10.251 3.708 -7.625 1.00 22.31 H new ATOM 0 HB2 LEU A 9 -8.910 3.082 -5.615 1.00 71.15 H new ATOM 0 HB3 LEU A 9 -7.970 1.979 -6.600 1.00 71.15 H new ATOM 0 HG LEU A 9 -7.239 3.968 -8.005 1.00 74.25 H new ATOM 0 HD11 LEU A 9 -7.481 6.227 -7.042 1.00 43.45 H new ATOM 0 HD12 LEU A 9 -9.052 5.512 -7.474 1.00 43.45 H new ATOM 0 HD13 LEU A 9 -8.537 5.566 -5.771 1.00 43.45 H new ATOM 0 HD21 LEU A 9 -5.559 4.770 -6.379 1.00 41.21 H new ATOM 0 HD22 LEU A 9 -6.480 4.010 -5.060 1.00 41.21 H new ATOM 0 HD23 LEU A 9 -5.746 3.001 -6.329 1.00 41.21 H new ATOM 139 N THR A 10 -9.144 3.320 -9.893 1.00 40.22 N ATOM 140 CA THR A 10 -8.628 3.126 -11.257 1.00 14.51 C ATOM 141 C THR A 10 -7.199 2.549 -11.232 1.00 21.21 C ATOM 142 O THR A 10 -6.364 2.972 -10.411 1.00 50.54 O ATOM 143 CB THR A 10 -8.649 4.477 -12.042 1.00 64.33 C ATOM 144 OG1 THR A 10 -8.084 5.529 -11.228 1.00 73.12 O ATOM 145 CG2 THR A 10 -10.065 4.881 -12.500 1.00 23.41 C ATOM 0 H THR A 10 -9.410 4.284 -9.695 1.00 40.22 H new ATOM 0 HA THR A 10 -9.275 2.411 -11.764 1.00 14.51 H new ATOM 0 HB THR A 10 -8.049 4.331 -12.940 1.00 64.33 H new ATOM 0 HG1 THR A 10 -7.636 6.184 -11.804 1.00 73.12 H new ATOM 0 HG21 THR A 10 -10.017 5.827 -13.040 1.00 23.41 H new ATOM 0 HG22 THR A 10 -10.469 4.110 -13.155 1.00 23.41 H new ATOM 0 HG23 THR A 10 -10.711 4.993 -11.629 1.00 23.41 H new ATOM 153 N THR A 11 -6.940 1.594 -12.145 1.00 62.32 N ATOM 154 CA THR A 11 -5.706 0.798 -12.159 1.00 13.32 C ATOM 155 C THR A 11 -4.447 1.677 -12.353 1.00 70.04 C ATOM 156 O THR A 11 -3.435 1.423 -11.715 1.00 72.45 O ATOM 157 CB THR A 11 -5.776 -0.317 -13.261 1.00 63.14 C ATOM 158 OG1 THR A 11 -7.055 -0.985 -13.199 1.00 45.12 O ATOM 159 CG2 THR A 11 -4.659 -1.372 -13.104 1.00 24.42 C ATOM 0 H THR A 11 -7.587 1.354 -12.896 1.00 62.32 H new ATOM 0 HA THR A 11 -5.621 0.321 -11.183 1.00 13.32 H new ATOM 0 HB THR A 11 -5.642 0.177 -14.223 1.00 63.14 H new ATOM 0 HG1 THR A 11 -7.095 -1.679 -13.890 1.00 45.12 H new ATOM 0 HG21 THR A 11 -4.752 -2.121 -13.891 1.00 24.42 H new ATOM 0 HG22 THR A 11 -3.686 -0.886 -13.179 1.00 24.42 H new ATOM 0 HG23 THR A 11 -4.749 -1.855 -12.131 1.00 24.42 H new ATOM 167 N TYR A 12 -4.543 2.747 -13.190 1.00 64.02 N ATOM 168 CA TYR A 12 -3.398 3.657 -13.460 1.00 23.42 C ATOM 169 C TYR A 12 -2.865 4.279 -12.140 1.00 13.21 C ATOM 170 O TYR A 12 -1.664 4.340 -11.921 1.00 23.31 O ATOM 171 CB TYR A 12 -3.755 4.769 -14.520 1.00 60.24 C ATOM 172 CG TYR A 12 -4.771 5.859 -14.082 1.00 44.12 C ATOM 173 CD1 TYR A 12 -4.378 6.946 -13.280 1.00 23.02 C ATOM 174 CD2 TYR A 12 -6.114 5.802 -14.458 1.00 40.33 C ATOM 175 CE1 TYR A 12 -5.282 7.905 -12.870 1.00 53.33 C ATOM 176 CE2 TYR A 12 -7.017 6.771 -14.052 1.00 51.42 C ATOM 177 CZ TYR A 12 -6.594 7.813 -13.254 1.00 3.51 C ATOM 178 OH TYR A 12 -7.490 8.778 -12.846 1.00 71.12 O ATOM 0 H TYR A 12 -5.398 2.998 -13.686 1.00 64.02 H new ATOM 0 HA TYR A 12 -2.602 3.055 -13.898 1.00 23.42 H new ATOM 0 HB2 TYR A 12 -2.831 5.266 -14.814 1.00 60.24 H new ATOM 0 HB3 TYR A 12 -4.149 4.276 -15.409 1.00 60.24 H new ATOM 0 HD1 TYR A 12 -3.345 7.032 -12.978 1.00 23.02 H new ATOM 0 HD2 TYR A 12 -6.456 4.986 -15.078 1.00 40.33 H new ATOM 0 HE1 TYR A 12 -4.956 8.726 -12.248 1.00 53.33 H new ATOM 0 HE2 TYR A 12 -8.050 6.710 -14.360 1.00 51.42 H new ATOM 0 HH TYR A 12 -8.379 8.571 -13.202 1.00 71.12 H new ATOM 188 N ALA A 13 -3.797 4.660 -11.245 1.00 22.42 N ATOM 189 CA ALA A 13 -3.484 5.388 -9.998 1.00 72.14 C ATOM 190 C ALA A 13 -2.792 4.469 -8.982 1.00 34.52 C ATOM 191 O ALA A 13 -1.829 4.870 -8.306 1.00 41.33 O ATOM 192 CB ALA A 13 -4.775 5.972 -9.412 1.00 63.43 C ATOM 0 H ALA A 13 -4.792 4.471 -11.366 1.00 22.42 H new ATOM 0 HA ALA A 13 -2.795 6.201 -10.227 1.00 72.14 H new ATOM 0 HB1 ALA A 13 -4.546 6.510 -8.492 1.00 63.43 H new ATOM 0 HB2 ALA A 13 -5.223 6.658 -10.131 1.00 63.43 H new ATOM 0 HB3 ALA A 13 -5.474 5.164 -9.196 1.00 63.43 H new ATOM 198 N SER A 14 -3.295 3.224 -8.904 1.00 35.13 N ATOM 199 CA SER A 14 -2.762 2.195 -7.998 1.00 62.12 C ATOM 200 C SER A 14 -1.398 1.661 -8.491 1.00 22.13 C ATOM 201 O SER A 14 -0.548 1.268 -7.678 1.00 74.34 O ATOM 202 CB SER A 14 -3.798 1.052 -7.829 1.00 4.03 C ATOM 203 OG SER A 14 -4.219 0.524 -9.076 1.00 4.14 O ATOM 0 H SER A 14 -4.083 2.905 -9.468 1.00 35.13 H new ATOM 0 HA SER A 14 -2.588 2.647 -7.022 1.00 62.12 H new ATOM 0 HB2 SER A 14 -3.362 0.255 -7.227 1.00 4.03 H new ATOM 0 HB3 SER A 14 -4.664 1.426 -7.283 1.00 4.03 H new ATOM 0 HG SER A 14 -3.746 0.982 -9.802 1.00 4.14 H new ATOM 209 N LYS A 15 -1.197 1.668 -9.824 1.00 4.23 N ATOM 210 CA LYS A 15 0.052 1.193 -10.456 1.00 61.21 C ATOM 211 C LYS A 15 1.167 2.234 -10.371 1.00 44.42 C ATOM 212 O LYS A 15 2.325 1.862 -10.201 1.00 62.35 O ATOM 213 CB LYS A 15 -0.188 0.753 -11.933 1.00 22.22 C ATOM 214 CG LYS A 15 -1.060 -0.518 -12.065 1.00 61.22 C ATOM 215 CD LYS A 15 -0.470 -1.729 -11.297 1.00 34.15 C ATOM 216 CE LYS A 15 -1.404 -2.944 -11.306 1.00 22.42 C ATOM 217 NZ LYS A 15 -0.798 -4.116 -10.608 1.00 24.22 N ATOM 0 H LYS A 15 -1.893 2.002 -10.491 1.00 4.23 H new ATOM 0 HA LYS A 15 0.378 0.318 -9.893 1.00 61.21 H new ATOM 0 HB2 LYS A 15 -0.666 1.570 -12.474 1.00 22.22 H new ATOM 0 HB3 LYS A 15 0.775 0.575 -12.412 1.00 22.22 H new ATOM 0 HG2 LYS A 15 -2.061 -0.308 -11.690 1.00 61.22 H new ATOM 0 HG3 LYS A 15 -1.162 -0.776 -13.119 1.00 61.22 H new ATOM 0 HD2 LYS A 15 0.485 -2.006 -11.742 1.00 34.15 H new ATOM 0 HD3 LYS A 15 -0.269 -1.438 -10.266 1.00 34.15 H new ATOM 0 HE2 LYS A 15 -2.346 -2.682 -10.824 1.00 22.42 H new ATOM 0 HE3 LYS A 15 -1.637 -3.215 -12.336 1.00 22.42 H new ATOM 0 HZ1 LYS A 15 -1.460 -4.917 -10.636 1.00 24.22 H new ATOM 0 HZ2 LYS A 15 0.088 -4.383 -11.083 1.00 24.22 H new ATOM 0 HZ3 LYS A 15 -0.599 -3.866 -9.618 1.00 24.22 H new ATOM 231 N GLN A 16 0.819 3.536 -10.479 1.00 41.13 N ATOM 232 CA GLN A 16 1.813 4.626 -10.342 1.00 63.25 C ATOM 233 C GLN A 16 2.290 4.753 -8.890 1.00 73.12 C ATOM 234 O GLN A 16 3.431 5.147 -8.648 1.00 22.21 O ATOM 235 CB GLN A 16 1.286 5.994 -10.847 1.00 2.21 C ATOM 236 CG GLN A 16 0.902 6.056 -12.343 1.00 13.52 C ATOM 237 CD GLN A 16 1.892 5.362 -13.285 1.00 63.24 C ATOM 238 OE1 GLN A 16 1.737 4.184 -13.607 1.00 44.04 O ATOM 239 NE2 GLN A 16 2.911 6.085 -13.717 1.00 20.33 N ATOM 0 H GLN A 16 -0.133 3.856 -10.659 1.00 41.13 H new ATOM 0 HA GLN A 16 2.654 4.350 -10.978 1.00 63.25 H new ATOM 0 HB2 GLN A 16 0.412 6.266 -10.255 1.00 2.21 H new ATOM 0 HB3 GLN A 16 2.048 6.749 -10.655 1.00 2.21 H new ATOM 0 HG2 GLN A 16 -0.081 5.602 -12.471 1.00 13.52 H new ATOM 0 HG3 GLN A 16 0.811 7.101 -12.638 1.00 13.52 H new ATOM 0 HE21 GLN A 16 3.005 7.059 -13.427 1.00 20.33 H new ATOM 0 HE22 GLN A 16 3.604 5.669 -14.340 1.00 20.33 H new ATOM 248 N ALA A 17 1.405 4.397 -7.940 1.00 62.12 N ATOM 249 CA ALA A 17 1.751 4.353 -6.511 1.00 21.21 C ATOM 250 C ALA A 17 2.899 3.348 -6.278 1.00 63.31 C ATOM 251 O ALA A 17 3.928 3.705 -5.712 1.00 33.20 O ATOM 252 CB ALA A 17 0.518 3.992 -5.671 1.00 3.02 C ATOM 0 H ALA A 17 0.440 4.135 -8.141 1.00 62.12 H new ATOM 0 HA ALA A 17 2.091 5.340 -6.196 1.00 21.21 H new ATOM 0 HB1 ALA A 17 0.792 3.964 -4.616 1.00 3.02 H new ATOM 0 HB2 ALA A 17 -0.259 4.741 -5.824 1.00 3.02 H new ATOM 0 HB3 ALA A 17 0.144 3.014 -5.975 1.00 3.02 H new ATOM 258 N THR A 18 2.716 2.104 -6.771 1.00 24.23 N ATOM 259 CA THR A 18 3.725 1.019 -6.659 1.00 74.01 C ATOM 260 C THR A 18 4.942 1.244 -7.584 1.00 43.23 C ATOM 261 O THR A 18 6.034 0.728 -7.313 1.00 30.43 O ATOM 262 CB THR A 18 3.069 -0.384 -6.941 1.00 22.54 C ATOM 263 OG1 THR A 18 2.053 -0.267 -7.953 1.00 24.12 O ATOM 264 CG2 THR A 18 2.451 -0.997 -5.678 1.00 75.52 C ATOM 0 H THR A 18 1.866 1.820 -7.258 1.00 24.23 H new ATOM 0 HA THR A 18 4.095 1.037 -5.634 1.00 74.01 H new ATOM 0 HB THR A 18 3.866 -1.043 -7.285 1.00 22.54 H new ATOM 0 HG1 THR A 18 2.447 -0.441 -8.833 1.00 24.12 H new ATOM 0 HG21 THR A 18 2.010 -1.964 -5.921 1.00 75.52 H new ATOM 0 HG22 THR A 18 3.225 -1.130 -4.922 1.00 75.52 H new ATOM 0 HG23 THR A 18 1.678 -0.333 -5.292 1.00 75.52 H new ATOM 272 N ASP A 19 4.731 2.011 -8.662 1.00 74.34 N ATOM 273 CA ASP A 19 5.788 2.362 -9.627 1.00 70.01 C ATOM 274 C ASP A 19 6.799 3.337 -8.992 1.00 12.03 C ATOM 275 O ASP A 19 8.018 3.179 -9.148 1.00 71.21 O ATOM 276 CB ASP A 19 5.163 2.990 -10.897 1.00 61.41 C ATOM 277 CG ASP A 19 6.196 3.392 -11.961 1.00 0.10 C ATOM 278 OD1 ASP A 19 6.781 2.489 -12.601 1.00 30.13 O ATOM 279 OD2 ASP A 19 6.420 4.602 -12.172 1.00 62.13 O ATOM 0 H ASP A 19 3.820 2.408 -8.892 1.00 74.34 H new ATOM 0 HA ASP A 19 6.317 1.451 -9.908 1.00 70.01 H new ATOM 0 HB2 ASP A 19 4.461 2.280 -11.335 1.00 61.41 H new ATOM 0 HB3 ASP A 19 4.588 3.871 -10.611 1.00 61.41 H new ATOM 284 N MET A 20 6.268 4.341 -8.267 1.00 64.23 N ATOM 285 CA MET A 20 7.081 5.399 -7.636 1.00 11.14 C ATOM 286 C MET A 20 7.623 4.932 -6.279 1.00 1.11 C ATOM 287 O MET A 20 8.774 5.221 -5.941 1.00 75.43 O ATOM 288 CB MET A 20 6.248 6.701 -7.462 1.00 72.43 C ATOM 289 CG MET A 20 5.794 7.340 -8.779 1.00 2.23 C ATOM 290 SD MET A 20 4.884 8.883 -8.529 1.00 1.41 S ATOM 291 CE MET A 20 3.459 8.338 -7.589 1.00 64.32 C ATOM 0 H MET A 20 5.266 4.441 -8.103 1.00 64.23 H new ATOM 0 HA MET A 20 7.926 5.611 -8.292 1.00 11.14 H new ATOM 0 HB2 MET A 20 5.369 6.478 -6.858 1.00 72.43 H new ATOM 0 HB3 MET A 20 6.841 7.426 -6.905 1.00 72.43 H new ATOM 0 HG2 MET A 20 6.666 7.534 -9.403 1.00 2.23 H new ATOM 0 HG3 MET A 20 5.164 6.635 -9.322 1.00 2.23 H new ATOM 0 HE1 MET A 20 2.549 8.709 -8.060 1.00 64.32 H new ATOM 0 HE2 MET A 20 3.436 7.249 -7.562 1.00 64.32 H new ATOM 0 HE3 MET A 20 3.524 8.725 -6.572 1.00 64.32 H new ATOM 301 N GLY A 21 6.787 4.202 -5.517 1.00 31.40 N ATOM 302 CA GLY A 21 7.188 3.659 -4.218 1.00 34.33 C ATOM 303 C GLY A 21 6.012 3.306 -3.318 1.00 51.43 C ATOM 304 O GLY A 21 5.594 4.117 -2.480 1.00 24.43 O ATOM 0 H GLY A 21 5.829 3.978 -5.785 1.00 31.40 H new ATOM 0 HA2 GLY A 21 7.794 2.767 -4.377 1.00 34.33 H new ATOM 0 HA3 GLY A 21 7.820 4.387 -3.708 1.00 34.33 H new ATOM 308 N ALA A 22 5.473 2.092 -3.508 1.00 23.31 N ATOM 309 CA ALA A 22 4.425 1.516 -2.643 1.00 73.13 C ATOM 310 C ALA A 22 4.445 -0.014 -2.732 1.00 15.02 C ATOM 311 O ALA A 22 5.125 -0.593 -3.595 1.00 2.15 O ATOM 312 CB ALA A 22 3.032 2.068 -3.001 1.00 71.12 C ATOM 0 H ALA A 22 5.752 1.476 -4.271 1.00 23.31 H new ATOM 0 HA ALA A 22 4.637 1.809 -1.615 1.00 73.13 H new ATOM 0 HB1 ALA A 22 2.284 1.623 -2.345 1.00 71.12 H new ATOM 0 HB2 ALA A 22 3.026 3.151 -2.875 1.00 71.12 H new ATOM 0 HB3 ALA A 22 2.798 1.822 -4.037 1.00 71.12 H new ATOM 318 N ILE A 23 3.694 -0.662 -1.824 1.00 71.40 N ATOM 319 CA ILE A 23 3.539 -2.132 -1.785 1.00 13.24 C ATOM 320 C ILE A 23 2.042 -2.504 -1.772 1.00 15.13 C ATOM 321 O ILE A 23 1.202 -1.743 -1.271 1.00 54.34 O ATOM 322 CB ILE A 23 4.248 -2.763 -0.514 1.00 25.52 C ATOM 323 CG1 ILE A 23 3.651 -2.162 0.810 1.00 72.22 C ATOM 324 CG2 ILE A 23 5.791 -2.573 -0.567 1.00 74.12 C ATOM 325 CD1 ILE A 23 4.207 -2.736 2.107 1.00 71.04 C ATOM 0 H ILE A 23 3.173 -0.180 -1.091 1.00 71.40 H new ATOM 0 HA ILE A 23 4.016 -2.537 -2.678 1.00 13.24 H new ATOM 0 HB ILE A 23 4.052 -3.835 -0.522 1.00 25.52 H new ATOM 0 HG12 ILE A 23 3.822 -1.086 0.808 1.00 72.22 H new ATOM 0 HG13 ILE A 23 2.572 -2.313 0.801 1.00 72.22 H new ATOM 0 HG21 ILE A 23 6.243 -3.018 0.320 1.00 74.12 H new ATOM 0 HG22 ILE A 23 6.187 -3.059 -1.459 1.00 74.12 H new ATOM 0 HG23 ILE A 23 6.026 -1.509 -0.599 1.00 74.12 H new ATOM 0 HD11 ILE A 23 3.726 -2.250 2.956 1.00 71.04 H new ATOM 0 HD12 ILE A 23 4.012 -3.808 2.144 1.00 71.04 H new ATOM 0 HD13 ILE A 23 5.282 -2.561 2.151 1.00 71.04 H new ATOM 337 N TYR A 24 1.722 -3.679 -2.329 1.00 53.41 N ATOM 338 CA TYR A 24 0.393 -4.297 -2.208 1.00 34.10 C ATOM 339 C TYR A 24 0.472 -5.376 -1.114 1.00 3.40 C ATOM 340 O TYR A 24 1.272 -6.314 -1.231 1.00 20.33 O ATOM 341 CB TYR A 24 -0.050 -4.971 -3.538 1.00 51.52 C ATOM 342 CG TYR A 24 -0.343 -4.041 -4.735 1.00 11.23 C ATOM 343 CD1 TYR A 24 -1.417 -3.149 -4.708 1.00 12.31 C ATOM 344 CD2 TYR A 24 0.402 -4.118 -5.922 1.00 74.12 C ATOM 345 CE1 TYR A 24 -1.730 -2.370 -5.812 1.00 71.31 C ATOM 346 CE2 TYR A 24 0.099 -3.333 -7.021 1.00 25.45 C ATOM 347 CZ TYR A 24 -0.966 -2.465 -6.965 1.00 54.35 C ATOM 348 OH TYR A 24 -1.285 -1.708 -8.072 1.00 60.40 O ATOM 0 H TYR A 24 2.380 -4.231 -2.879 1.00 53.41 H new ATOM 0 HA TYR A 24 -0.334 -3.522 -1.963 1.00 34.10 H new ATOM 0 HB2 TYR A 24 0.729 -5.672 -3.837 1.00 51.52 H new ATOM 0 HB3 TYR A 24 -0.947 -5.557 -3.338 1.00 51.52 H new ATOM 0 HD1 TYR A 24 -2.014 -3.064 -3.812 1.00 12.31 H new ATOM 0 HD2 TYR A 24 1.232 -4.807 -5.979 1.00 74.12 H new ATOM 0 HE1 TYR A 24 -2.568 -1.690 -5.774 1.00 71.31 H new ATOM 0 HE2 TYR A 24 0.696 -3.402 -7.918 1.00 25.45 H new ATOM 0 HH TYR A 24 -0.898 -0.812 -7.978 1.00 60.40 H new ATOM 358 N VAL A 25 -0.349 -5.240 -0.058 1.00 31.31 N ATOM 359 CA VAL A 25 -0.469 -6.256 1.015 1.00 71.32 C ATOM 360 C VAL A 25 -1.866 -6.897 0.972 1.00 31.13 C ATOM 361 O VAL A 25 -2.675 -6.546 0.118 1.00 72.13 O ATOM 362 CB VAL A 25 -0.161 -5.669 2.456 1.00 11.33 C ATOM 363 CG1 VAL A 25 1.242 -5.018 2.513 1.00 75.53 C ATOM 364 CG2 VAL A 25 -1.256 -4.697 2.966 1.00 42.12 C ATOM 0 H VAL A 25 -0.949 -4.427 0.080 1.00 31.31 H new ATOM 0 HA VAL A 25 0.287 -7.018 0.828 1.00 71.32 H new ATOM 0 HB VAL A 25 -0.169 -6.520 3.137 1.00 11.33 H new ATOM 0 HG11 VAL A 25 1.421 -4.626 3.514 1.00 75.53 H new ATOM 0 HG12 VAL A 25 2.000 -5.765 2.275 1.00 75.53 H new ATOM 0 HG13 VAL A 25 1.295 -4.204 1.790 1.00 75.53 H new ATOM 0 HG21 VAL A 25 -0.985 -4.331 3.956 1.00 42.12 H new ATOM 0 HG22 VAL A 25 -1.343 -3.855 2.279 1.00 42.12 H new ATOM 0 HG23 VAL A 25 -2.210 -5.221 3.021 1.00 42.12 H new ATOM 374 N ASN A 26 -2.129 -7.870 1.864 1.00 51.21 N ATOM 375 CA ASN A 26 -3.460 -8.513 1.989 1.00 3.40 C ATOM 376 C ASN A 26 -4.086 -8.188 3.360 1.00 23.01 C ATOM 377 O ASN A 26 -3.590 -7.319 4.088 1.00 21.42 O ATOM 378 CB ASN A 26 -3.356 -10.047 1.757 1.00 24.12 C ATOM 379 CG ASN A 26 -2.461 -10.787 2.764 1.00 35.23 C ATOM 380 OD1 ASN A 26 -2.912 -11.196 3.821 1.00 72.32 O ATOM 381 ND2 ASN A 26 -1.192 -10.949 2.446 1.00 15.31 N ATOM 0 H ASN A 26 -1.434 -8.234 2.516 1.00 51.21 H new ATOM 0 HA ASN A 26 -4.116 -8.110 1.218 1.00 3.40 H new ATOM 0 HB2 ASN A 26 -4.357 -10.476 1.797 1.00 24.12 H new ATOM 0 HB3 ASN A 26 -2.973 -10.224 0.752 1.00 24.12 H new ATOM 0 HD21 ASN A 26 -0.562 -11.426 3.090 1.00 15.31 H new ATOM 0 HD22 ASN A 26 -0.840 -10.597 1.555 1.00 15.31 H new ATOM 388 N SER A 27 -5.176 -8.908 3.692 1.00 53.11 N ATOM 389 CA SER A 27 -5.964 -8.715 4.929 1.00 50.32 C ATOM 390 C SER A 27 -5.147 -8.946 6.219 1.00 14.43 C ATOM 391 O SER A 27 -5.565 -8.532 7.305 1.00 5.14 O ATOM 392 CB SER A 27 -7.159 -9.677 4.887 1.00 45.21 C ATOM 393 OG SER A 27 -6.717 -11.023 4.770 1.00 32.13 O ATOM 0 H SER A 27 -5.541 -9.653 3.099 1.00 53.11 H new ATOM 0 HA SER A 27 -6.289 -7.675 4.961 1.00 50.32 H new ATOM 0 HB2 SER A 27 -7.756 -9.563 5.792 1.00 45.21 H new ATOM 0 HB3 SER A 27 -7.804 -9.427 4.045 1.00 45.21 H new ATOM 0 HG SER A 27 -7.270 -11.599 5.337 1.00 32.13 H new ATOM 399 N LYS A 28 -4.006 -9.643 6.099 1.00 24.20 N ATOM 400 CA LYS A 28 -3.102 -9.909 7.234 1.00 71.13 C ATOM 401 C LYS A 28 -2.026 -8.823 7.323 1.00 33.11 C ATOM 402 O LYS A 28 -1.577 -8.481 8.407 1.00 51.33 O ATOM 403 CB LYS A 28 -2.465 -11.319 7.103 1.00 31.32 C ATOM 404 CG LYS A 28 -3.489 -12.440 6.823 1.00 1.34 C ATOM 405 CD LYS A 28 -4.584 -12.557 7.907 1.00 14.40 C ATOM 406 CE LYS A 28 -5.722 -13.503 7.496 1.00 32.12 C ATOM 407 NZ LYS A 28 -6.772 -13.573 8.546 1.00 21.10 N ATOM 0 H LYS A 28 -3.683 -10.038 5.216 1.00 24.20 H new ATOM 0 HA LYS A 28 -3.682 -9.887 8.157 1.00 71.13 H new ATOM 0 HB2 LYS A 28 -1.729 -11.302 6.299 1.00 31.32 H new ATOM 0 HB3 LYS A 28 -1.927 -11.552 8.022 1.00 31.32 H new ATOM 0 HG2 LYS A 28 -3.962 -12.257 5.858 1.00 1.34 H new ATOM 0 HG3 LYS A 28 -2.963 -13.391 6.745 1.00 1.34 H new ATOM 0 HD2 LYS A 28 -4.136 -12.915 8.834 1.00 14.40 H new ATOM 0 HD3 LYS A 28 -4.994 -11.568 8.112 1.00 14.40 H new ATOM 0 HE2 LYS A 28 -6.163 -13.160 6.560 1.00 32.12 H new ATOM 0 HE3 LYS A 28 -5.321 -14.500 7.313 1.00 32.12 H new ATOM 0 HZ1 LYS A 28 -7.527 -14.219 8.240 1.00 21.10 H new ATOM 0 HZ2 LYS A 28 -6.354 -13.923 9.432 1.00 21.10 H new ATOM 0 HZ3 LYS A 28 -7.170 -12.625 8.702 1.00 21.10 H new ATOM 421 N GLY A 29 -1.656 -8.251 6.167 1.00 5.34 N ATOM 422 CA GLY A 29 -0.627 -7.203 6.100 1.00 73.22 C ATOM 423 C GLY A 29 0.663 -7.682 5.462 1.00 44.44 C ATOM 424 O GLY A 29 1.624 -6.921 5.357 1.00 25.41 O ATOM 0 H GLY A 29 -2.057 -8.498 5.262 1.00 5.34 H new ATOM 0 HA2 GLY A 29 -1.014 -6.356 5.533 1.00 73.22 H new ATOM 0 HA3 GLY A 29 -0.416 -6.843 7.107 1.00 73.22 H new ATOM 428 N ASP A 30 0.673 -8.953 5.031 1.00 71.30 N ATOM 429 CA ASP A 30 1.790 -9.551 4.276 1.00 71.52 C ATOM 430 C ASP A 30 1.771 -9.002 2.836 1.00 62.33 C ATOM 431 O ASP A 30 0.714 -9.014 2.192 1.00 63.42 O ATOM 432 CB ASP A 30 1.661 -11.106 4.278 1.00 23.13 C ATOM 433 CG ASP A 30 2.779 -11.829 3.496 1.00 52.05 C ATOM 434 OD1 ASP A 30 2.656 -11.990 2.262 1.00 52.21 O ATOM 435 OD2 ASP A 30 3.781 -12.249 4.109 1.00 15.44 O ATOM 0 H ASP A 30 -0.098 -9.600 5.197 1.00 71.30 H new ATOM 0 HA ASP A 30 2.739 -9.290 4.745 1.00 71.52 H new ATOM 0 HB2 ASP A 30 1.666 -11.460 5.309 1.00 23.13 H new ATOM 0 HB3 ASP A 30 0.697 -11.381 3.851 1.00 23.13 H new ATOM 440 N ARG A 31 2.922 -8.499 2.348 1.00 50.01 N ATOM 441 CA ARG A 31 3.054 -8.028 0.953 1.00 43.21 C ATOM 442 C ARG A 31 2.846 -9.198 -0.038 1.00 35.41 C ATOM 443 O ARG A 31 3.637 -10.124 -0.081 1.00 32.55 O ATOM 444 CB ARG A 31 4.402 -7.233 0.710 1.00 73.32 C ATOM 445 CG ARG A 31 5.617 -7.534 1.651 1.00 22.33 C ATOM 446 CD ARG A 31 6.448 -8.785 1.291 1.00 21.30 C ATOM 447 NE ARG A 31 5.750 -10.057 1.546 1.00 73.12 N ATOM 448 CZ ARG A 31 6.327 -11.274 1.584 1.00 52.44 C ATOM 449 NH1 ARG A 31 7.643 -11.427 1.413 1.00 55.32 N ATOM 450 NH2 ARG A 31 5.573 -12.346 1.768 1.00 31.41 N ATOM 0 H ARG A 31 3.775 -8.408 2.899 1.00 50.01 H new ATOM 0 HA ARG A 31 2.261 -7.304 0.764 1.00 43.21 H new ATOM 0 HB2 ARG A 31 4.720 -7.422 -0.315 1.00 73.32 H new ATOM 0 HB3 ARG A 31 4.179 -6.169 0.784 1.00 73.32 H new ATOM 0 HG2 ARG A 31 6.279 -6.668 1.648 1.00 22.33 H new ATOM 0 HG3 ARG A 31 5.245 -7.648 2.669 1.00 22.33 H new ATOM 0 HD2 ARG A 31 6.722 -8.737 0.237 1.00 21.30 H new ATOM 0 HD3 ARG A 31 7.376 -8.770 1.862 1.00 21.30 H new ATOM 0 HE ARG A 31 4.744 -10.013 1.708 1.00 73.12 H new ATOM 0 HH11 ARG A 31 8.234 -10.612 1.249 1.00 55.32 H new ATOM 0 HH12 ARG A 31 8.057 -12.359 1.446 1.00 55.32 H new ATOM 0 HH21 ARG A 31 4.564 -12.247 1.880 1.00 31.41 H new ATOM 0 HH22 ARG A 31 6.001 -13.271 1.798 1.00 31.41 H new ATOM 464 N ILE A 32 1.717 -9.166 -0.773 1.00 63.23 N ATOM 465 CA ILE A 32 1.360 -10.212 -1.764 1.00 21.30 C ATOM 466 C ILE A 32 2.232 -10.118 -3.024 1.00 22.12 C ATOM 467 O ILE A 32 2.538 -11.134 -3.664 1.00 53.35 O ATOM 468 CB ILE A 32 -0.158 -10.150 -2.175 1.00 71.31 C ATOM 469 CG1 ILE A 32 -0.546 -8.750 -2.755 1.00 72.21 C ATOM 470 CG2 ILE A 32 -1.060 -10.528 -0.987 1.00 30.22 C ATOM 471 CD1 ILE A 32 -1.931 -8.678 -3.363 1.00 10.11 C ATOM 0 H ILE A 32 1.026 -8.419 -0.700 1.00 63.23 H new ATOM 0 HA ILE A 32 1.545 -11.167 -1.273 1.00 21.30 H new ATOM 0 HB ILE A 32 -0.314 -10.881 -2.969 1.00 71.31 H new ATOM 0 HG12 ILE A 32 -0.475 -8.010 -1.958 1.00 72.21 H new ATOM 0 HG13 ILE A 32 0.184 -8.472 -3.515 1.00 72.21 H new ATOM 0 HG21 ILE A 32 -2.105 -10.479 -1.293 1.00 30.22 H new ATOM 0 HG22 ILE A 32 -0.825 -11.541 -0.660 1.00 30.22 H new ATOM 0 HG23 ILE A 32 -0.890 -9.833 -0.165 1.00 30.22 H new ATOM 0 HD11 ILE A 32 -2.112 -7.671 -3.739 1.00 10.11 H new ATOM 0 HD12 ILE A 32 -2.005 -9.390 -4.185 1.00 10.11 H new ATOM 0 HD13 ILE A 32 -2.675 -8.921 -2.604 1.00 10.11 H new ATOM 483 N VAL A 33 2.611 -8.878 -3.368 1.00 20.44 N ATOM 484 CA VAL A 33 3.535 -8.580 -4.457 1.00 65.50 C ATOM 485 C VAL A 33 4.330 -7.303 -4.103 1.00 34.03 C ATOM 486 O VAL A 33 3.786 -6.350 -3.518 1.00 71.34 O ATOM 487 CB VAL A 33 2.806 -8.476 -5.853 1.00 54.33 C ATOM 488 CG1 VAL A 33 1.688 -7.418 -5.856 1.00 31.54 C ATOM 489 CG2 VAL A 33 3.818 -8.255 -7.005 1.00 54.02 C ATOM 0 H VAL A 33 2.275 -8.045 -2.885 1.00 20.44 H new ATOM 0 HA VAL A 33 4.235 -9.409 -4.567 1.00 65.50 H new ATOM 0 HB VAL A 33 2.318 -9.435 -6.027 1.00 54.33 H new ATOM 0 HG11 VAL A 33 1.219 -7.387 -6.839 1.00 31.54 H new ATOM 0 HG12 VAL A 33 0.941 -7.676 -5.106 1.00 31.54 H new ATOM 0 HG13 VAL A 33 2.111 -6.441 -5.625 1.00 31.54 H new ATOM 0 HG21 VAL A 33 3.282 -8.188 -7.952 1.00 54.02 H new ATOM 0 HG22 VAL A 33 4.369 -7.330 -6.833 1.00 54.02 H new ATOM 0 HG23 VAL A 33 4.516 -9.091 -7.041 1.00 54.02 H new ATOM 499 N ASN A 34 5.632 -7.343 -4.437 1.00 52.44 N ATOM 500 CA ASN A 34 6.640 -6.309 -4.093 1.00 12.15 C ATOM 501 C ASN A 34 6.350 -4.938 -4.741 1.00 32.11 C ATOM 502 O ASN A 34 6.670 -3.888 -4.158 1.00 2.24 O ATOM 503 CB ASN A 34 8.057 -6.810 -4.516 1.00 0.04 C ATOM 504 CG ASN A 34 8.185 -7.217 -5.994 1.00 63.35 C ATOM 505 OD1 ASN A 34 7.236 -7.690 -6.617 1.00 43.12 O ATOM 506 ND2 ASN A 34 9.361 -7.042 -6.559 1.00 54.04 N ATOM 0 H ASN A 34 6.030 -8.116 -4.970 1.00 52.44 H new ATOM 0 HA ASN A 34 6.592 -6.158 -3.015 1.00 12.15 H new ATOM 0 HB2 ASN A 34 8.782 -6.023 -4.307 1.00 0.04 H new ATOM 0 HB3 ASN A 34 8.325 -7.664 -3.894 1.00 0.04 H new ATOM 0 HD21 ASN A 34 9.501 -7.301 -7.536 1.00 54.04 H new ATOM 0 HD22 ASN A 34 10.132 -6.648 -6.020 1.00 54.04 H new ATOM 513 N GLU A 35 5.761 -4.968 -5.950 1.00 62.24 N ATOM 514 CA GLU A 35 5.499 -3.757 -6.766 1.00 21.42 C ATOM 515 C GLU A 35 4.446 -4.065 -7.865 1.00 3.44 C ATOM 516 O GLU A 35 3.713 -5.058 -7.755 1.00 35.03 O ATOM 517 CB GLU A 35 6.848 -3.212 -7.350 1.00 12.45 C ATOM 518 CG GLU A 35 7.658 -4.235 -8.180 1.00 73.44 C ATOM 519 CD GLU A 35 9.080 -3.764 -8.551 1.00 73.02 C ATOM 520 OE1 GLU A 35 9.220 -2.964 -9.501 1.00 11.50 O ATOM 521 OE2 GLU A 35 10.061 -4.200 -7.899 1.00 54.35 O ATOM 0 H GLU A 35 5.451 -5.832 -6.394 1.00 62.24 H new ATOM 0 HA GLU A 35 5.076 -2.971 -6.141 1.00 21.42 H new ATOM 0 HB2 GLU A 35 6.633 -2.347 -7.977 1.00 12.45 H new ATOM 0 HB3 GLU A 35 7.469 -2.862 -6.525 1.00 12.45 H new ATOM 0 HG2 GLU A 35 7.731 -5.166 -7.618 1.00 73.44 H new ATOM 0 HG3 GLU A 35 7.111 -4.458 -9.096 1.00 73.44 H new ATOM 528 N SER A 36 4.356 -3.180 -8.889 1.00 45.44 N ATOM 529 CA SER A 36 3.367 -3.281 -9.985 1.00 53.12 C ATOM 530 C SER A 36 3.476 -4.632 -10.740 1.00 12.40 C ATOM 531 O SER A 36 2.558 -5.467 -10.664 1.00 55.34 O ATOM 532 CB SER A 36 3.559 -2.093 -10.974 1.00 44.41 C ATOM 533 OG SER A 36 3.580 -0.840 -10.304 1.00 14.03 O ATOM 0 H SER A 36 4.973 -2.372 -8.976 1.00 45.44 H new ATOM 0 HA SER A 36 2.371 -3.235 -9.545 1.00 53.12 H new ATOM 0 HB2 SER A 36 4.491 -2.226 -11.523 1.00 44.41 H new ATOM 0 HB3 SER A 36 2.753 -2.098 -11.708 1.00 44.41 H new ATOM 0 HG SER A 36 2.916 -0.242 -10.707 1.00 14.03 H new ATOM 539 N ASN A 37 4.621 -4.820 -11.427 1.00 51.20 N ATOM 540 CA ASN A 37 4.945 -6.018 -12.231 1.00 23.24 C ATOM 541 C ASN A 37 3.890 -6.305 -13.330 1.00 23.13 C ATOM 542 O ASN A 37 4.000 -5.803 -14.450 1.00 43.12 O ATOM 543 CB ASN A 37 5.191 -7.268 -11.328 1.00 4.41 C ATOM 544 CG ASN A 37 6.421 -7.167 -10.429 1.00 12.23 C ATOM 545 OD1 ASN A 37 7.403 -6.506 -10.762 1.00 64.41 O ATOM 546 ND2 ASN A 37 6.394 -7.851 -9.295 1.00 64.53 N ATOM 0 H ASN A 37 5.367 -4.124 -11.439 1.00 51.20 H new ATOM 0 HA ASN A 37 5.878 -5.797 -12.750 1.00 23.24 H new ATOM 0 HB2 ASN A 37 4.312 -7.428 -10.703 1.00 4.41 H new ATOM 0 HB3 ASN A 37 5.293 -8.146 -11.965 1.00 4.41 H new ATOM 0 HD21 ASN A 37 7.202 -7.838 -8.672 1.00 64.53 H new ATOM 0 HD22 ASN A 37 5.565 -8.391 -9.045 1.00 64.53 H new ATOM 553 N VAL A 38 2.847 -7.077 -12.973 1.00 15.04 N ATOM 554 CA VAL A 38 1.806 -7.538 -13.912 1.00 72.42 C ATOM 555 C VAL A 38 0.532 -7.908 -13.116 1.00 54.51 C ATOM 556 O VAL A 38 0.618 -8.213 -11.918 1.00 33.21 O ATOM 557 CB VAL A 38 2.321 -8.756 -14.784 1.00 14.42 C ATOM 558 CG1 VAL A 38 2.656 -10.001 -13.928 1.00 32.31 C ATOM 559 CG2 VAL A 38 1.340 -9.098 -15.932 1.00 62.31 C ATOM 0 H VAL A 38 2.701 -7.401 -12.017 1.00 15.04 H new ATOM 0 HA VAL A 38 1.566 -6.733 -14.607 1.00 72.42 H new ATOM 0 HB VAL A 38 3.257 -8.433 -15.240 1.00 14.42 H new ATOM 0 HG11 VAL A 38 3.004 -10.805 -14.576 1.00 32.31 H new ATOM 0 HG12 VAL A 38 3.437 -9.750 -13.210 1.00 32.31 H new ATOM 0 HG13 VAL A 38 1.763 -10.326 -13.394 1.00 32.31 H new ATOM 0 HG21 VAL A 38 1.730 -9.939 -16.506 1.00 62.31 H new ATOM 0 HG22 VAL A 38 0.369 -9.364 -15.514 1.00 62.31 H new ATOM 0 HG23 VAL A 38 1.229 -8.233 -16.586 1.00 62.31 H new ATOM 569 N TYR A 39 -0.641 -7.875 -13.786 1.00 50.02 N ATOM 570 CA TYR A 39 -1.947 -8.197 -13.163 1.00 53.55 C ATOM 571 C TYR A 39 -1.974 -9.621 -12.595 1.00 41.11 C ATOM 572 O TYR A 39 -2.718 -9.898 -11.671 1.00 53.14 O ATOM 573 CB TYR A 39 -3.106 -8.025 -14.184 1.00 71.51 C ATOM 574 CG TYR A 39 -3.147 -9.054 -15.349 1.00 54.20 C ATOM 575 CD1 TYR A 39 -2.433 -8.844 -16.531 1.00 24.24 C ATOM 576 CD2 TYR A 39 -3.915 -10.234 -15.265 1.00 41.05 C ATOM 577 CE1 TYR A 39 -2.477 -9.758 -17.572 1.00 32.13 C ATOM 578 CE2 TYR A 39 -3.959 -11.141 -16.307 1.00 72.21 C ATOM 579 CZ TYR A 39 -3.241 -10.900 -17.455 1.00 43.03 C ATOM 580 OH TYR A 39 -3.282 -11.809 -18.494 1.00 11.34 O ATOM 0 H TYR A 39 -0.711 -7.625 -14.772 1.00 50.02 H new ATOM 0 HA TYR A 39 -2.084 -7.497 -12.339 1.00 53.55 H new ATOM 0 HB2 TYR A 39 -4.051 -8.080 -13.643 1.00 71.51 H new ATOM 0 HB3 TYR A 39 -3.041 -7.024 -14.612 1.00 71.51 H new ATOM 0 HD1 TYR A 39 -1.834 -7.951 -16.636 1.00 24.24 H new ATOM 0 HD2 TYR A 39 -4.481 -10.433 -14.367 1.00 41.05 H new ATOM 0 HE1 TYR A 39 -1.913 -9.576 -18.475 1.00 32.13 H new ATOM 0 HE2 TYR A 39 -4.556 -12.037 -16.220 1.00 72.21 H new ATOM 0 HH TYR A 39 -3.865 -12.558 -18.251 1.00 11.34 H new ATOM 590 N THR A 40 -1.174 -10.511 -13.203 1.00 45.04 N ATOM 591 CA THR A 40 -1.147 -11.937 -12.860 1.00 3.11 C ATOM 592 C THR A 40 -0.594 -12.160 -11.434 1.00 54.04 C ATOM 593 O THR A 40 -1.266 -12.750 -10.599 1.00 65.32 O ATOM 594 CB THR A 40 -0.317 -12.749 -13.911 1.00 31.42 C ATOM 595 OG1 THR A 40 -0.752 -12.409 -15.240 1.00 24.24 O ATOM 596 CG2 THR A 40 -0.470 -14.267 -13.704 1.00 30.35 C ATOM 0 H THR A 40 -0.526 -10.258 -13.949 1.00 45.04 H new ATOM 0 HA THR A 40 -2.174 -12.302 -12.881 1.00 3.11 H new ATOM 0 HB THR A 40 0.733 -12.488 -13.778 1.00 31.42 H new ATOM 0 HG1 THR A 40 -1.673 -12.077 -15.208 1.00 24.24 H new ATOM 0 HG21 THR A 40 0.120 -14.797 -14.451 1.00 30.35 H new ATOM 0 HG22 THR A 40 -0.119 -14.535 -12.707 1.00 30.35 H new ATOM 0 HG23 THR A 40 -1.519 -14.544 -13.806 1.00 30.35 H new ATOM 604 N THR A 41 0.614 -11.628 -11.156 1.00 13.52 N ATOM 605 CA THR A 41 1.275 -11.781 -9.830 1.00 71.14 C ATOM 606 C THR A 41 0.492 -11.060 -8.709 1.00 21.32 C ATOM 607 O THR A 41 0.644 -11.392 -7.529 1.00 33.43 O ATOM 608 CB THR A 41 2.757 -11.274 -9.859 1.00 4.33 C ATOM 609 OG1 THR A 41 3.422 -11.532 -8.603 1.00 43.02 O ATOM 610 CG2 THR A 41 2.854 -9.780 -10.183 1.00 23.23 C ATOM 0 H THR A 41 1.157 -11.087 -11.829 1.00 13.52 H new ATOM 0 HA THR A 41 1.280 -12.849 -9.610 1.00 71.14 H new ATOM 0 HB THR A 41 3.253 -11.830 -10.654 1.00 4.33 H new ATOM 0 HG1 THR A 41 4.345 -11.207 -8.649 1.00 43.02 H new ATOM 0 HG21 THR A 41 3.901 -9.477 -10.191 1.00 23.23 H new ATOM 0 HG22 THR A 41 2.414 -9.591 -11.162 1.00 23.23 H new ATOM 0 HG23 THR A 41 2.317 -9.208 -9.427 1.00 23.23 H new ATOM 618 N PHE A 42 -0.324 -10.070 -9.100 1.00 72.30 N ATOM 619 CA PHE A 42 -1.203 -9.332 -8.187 1.00 55.44 C ATOM 620 C PHE A 42 -2.460 -10.173 -7.862 1.00 4.21 C ATOM 621 O PHE A 42 -2.656 -10.587 -6.717 1.00 32.41 O ATOM 622 CB PHE A 42 -1.586 -7.971 -8.837 1.00 54.12 C ATOM 623 CG PHE A 42 -2.589 -7.136 -8.038 1.00 13.50 C ATOM 624 CD1 PHE A 42 -2.257 -6.640 -6.782 1.00 55.50 C ATOM 625 CD2 PHE A 42 -3.858 -6.840 -8.546 1.00 3.13 C ATOM 626 CE1 PHE A 42 -3.154 -5.880 -6.063 1.00 12.42 C ATOM 627 CE2 PHE A 42 -4.756 -6.076 -7.824 1.00 24.40 C ATOM 628 CZ PHE A 42 -4.401 -5.595 -6.581 1.00 21.24 C ATOM 0 H PHE A 42 -0.391 -9.758 -10.069 1.00 72.30 H new ATOM 0 HA PHE A 42 -0.684 -9.137 -7.249 1.00 55.44 H new ATOM 0 HB2 PHE A 42 -0.678 -7.384 -8.979 1.00 54.12 H new ATOM 0 HB3 PHE A 42 -2.001 -8.161 -9.827 1.00 54.12 H new ATOM 0 HD1 PHE A 42 -1.284 -6.853 -6.365 1.00 55.50 H new ATOM 0 HD2 PHE A 42 -4.141 -7.215 -9.519 1.00 3.13 H new ATOM 0 HE1 PHE A 42 -2.879 -5.505 -5.088 1.00 12.42 H new ATOM 0 HE2 PHE A 42 -5.732 -5.857 -8.232 1.00 24.40 H new ATOM 0 HZ PHE A 42 -5.098 -4.996 -6.014 1.00 21.24 H new ATOM 638 N ARG A 43 -3.267 -10.446 -8.910 1.00 53.11 N ATOM 639 CA ARG A 43 -4.593 -11.100 -8.805 1.00 2.20 C ATOM 640 C ARG A 43 -4.475 -12.513 -8.204 1.00 3.43 C ATOM 641 O ARG A 43 -5.223 -12.867 -7.302 1.00 62.42 O ATOM 642 CB ARG A 43 -5.268 -11.200 -10.210 1.00 20.43 C ATOM 643 CG ARG A 43 -6.702 -11.795 -10.204 1.00 51.32 C ATOM 644 CD ARG A 43 -7.184 -12.223 -11.604 1.00 72.21 C ATOM 645 NE ARG A 43 -7.260 -11.102 -12.565 1.00 35.03 N ATOM 646 CZ ARG A 43 -7.502 -11.226 -13.885 1.00 33.14 C ATOM 647 NH1 ARG A 43 -7.695 -12.433 -14.432 1.00 11.22 N ATOM 648 NH2 ARG A 43 -7.553 -10.131 -14.651 1.00 41.01 N ATOM 0 H ARG A 43 -3.012 -10.215 -9.870 1.00 53.11 H new ATOM 0 HA ARG A 43 -5.206 -10.486 -8.145 1.00 2.20 H new ATOM 0 HB2 ARG A 43 -5.305 -10.204 -10.651 1.00 20.43 H new ATOM 0 HB3 ARG A 43 -4.639 -11.812 -10.857 1.00 20.43 H new ATOM 0 HG2 ARG A 43 -6.729 -12.657 -9.538 1.00 51.32 H new ATOM 0 HG3 ARG A 43 -7.394 -11.057 -9.798 1.00 51.32 H new ATOM 0 HD2 ARG A 43 -6.509 -12.983 -11.996 1.00 72.21 H new ATOM 0 HD3 ARG A 43 -8.168 -12.685 -11.517 1.00 72.21 H new ATOM 0 HE ARG A 43 -7.118 -10.160 -12.200 1.00 35.03 H new ATOM 0 HH11 ARG A 43 -7.660 -13.269 -13.849 1.00 11.22 H new ATOM 0 HH12 ARG A 43 -7.878 -12.516 -15.432 1.00 11.22 H new ATOM 0 HH21 ARG A 43 -7.409 -9.211 -14.235 1.00 41.01 H new ATOM 0 HH22 ARG A 43 -7.736 -10.216 -15.651 1.00 41.01 H new ATOM 662 N ASN A 44 -3.510 -13.298 -8.720 1.00 10.02 N ATOM 663 CA ASN A 44 -3.300 -14.716 -8.331 1.00 63.50 C ATOM 664 C ASN A 44 -2.800 -14.841 -6.883 1.00 42.33 C ATOM 665 O ASN A 44 -3.036 -15.861 -6.233 1.00 30.33 O ATOM 666 CB ASN A 44 -2.301 -15.411 -9.301 1.00 0.43 C ATOM 667 CG ASN A 44 -2.809 -15.526 -10.748 1.00 0.20 C ATOM 668 OD1 ASN A 44 -3.670 -14.761 -11.192 1.00 62.21 O ATOM 669 ND2 ASN A 44 -2.240 -16.450 -11.512 1.00 65.40 N ATOM 0 H ASN A 44 -2.848 -12.969 -9.423 1.00 10.02 H new ATOM 0 HA ASN A 44 -4.267 -15.215 -8.398 1.00 63.50 H new ATOM 0 HB2 ASN A 44 -1.363 -14.855 -9.299 1.00 0.43 H new ATOM 0 HB3 ASN A 44 -2.080 -16.410 -8.924 1.00 0.43 H new ATOM 0 HD21 ASN A 44 -2.512 -16.540 -12.491 1.00 65.40 H new ATOM 0 HD22 ASN A 44 -1.531 -17.070 -11.120 1.00 65.40 H new ATOM 676 N ALA A 45 -2.102 -13.804 -6.398 1.00 52.21 N ATOM 677 CA ALA A 45 -1.661 -13.727 -4.993 1.00 13.03 C ATOM 678 C ALA A 45 -2.863 -13.468 -4.054 1.00 0.41 C ATOM 679 O ALA A 45 -2.897 -13.964 -2.920 1.00 10.50 O ATOM 680 CB ALA A 45 -0.592 -12.644 -4.836 1.00 23.01 C ATOM 0 H ALA A 45 -1.828 -12.999 -6.962 1.00 52.21 H new ATOM 0 HA ALA A 45 -1.222 -14.684 -4.710 1.00 13.03 H new ATOM 0 HB1 ALA A 45 -0.273 -12.596 -3.795 1.00 23.01 H new ATOM 0 HB2 ALA A 45 0.264 -12.884 -5.467 1.00 23.01 H new ATOM 0 HB3 ALA A 45 -1.004 -11.680 -5.135 1.00 23.01 H new ATOM 686 N ILE A 46 -3.856 -12.708 -4.564 1.00 12.42 N ATOM 687 CA ILE A 46 -5.130 -12.444 -3.863 1.00 13.15 C ATOM 688 C ILE A 46 -5.993 -13.725 -3.877 1.00 42.33 C ATOM 689 O ILE A 46 -6.664 -14.052 -2.898 1.00 53.55 O ATOM 690 CB ILE A 46 -5.921 -11.265 -4.553 1.00 42.12 C ATOM 691 CG1 ILE A 46 -5.046 -9.981 -4.653 1.00 1.13 C ATOM 692 CG2 ILE A 46 -7.238 -10.964 -3.815 1.00 34.10 C ATOM 693 CD1 ILE A 46 -5.678 -8.854 -5.448 1.00 72.21 C ATOM 0 H ILE A 46 -3.796 -12.259 -5.478 1.00 12.42 H new ATOM 0 HA ILE A 46 -4.909 -12.153 -2.836 1.00 13.15 H new ATOM 0 HB ILE A 46 -6.167 -11.589 -5.564 1.00 42.12 H new ATOM 0 HG12 ILE A 46 -4.831 -9.623 -3.646 1.00 1.13 H new ATOM 0 HG13 ILE A 46 -4.091 -10.241 -5.110 1.00 1.13 H new ATOM 0 HG21 ILE A 46 -7.757 -10.147 -4.316 1.00 34.10 H new ATOM 0 HG22 ILE A 46 -7.869 -11.853 -3.820 1.00 34.10 H new ATOM 0 HG23 ILE A 46 -7.021 -10.679 -2.786 1.00 34.10 H new ATOM 0 HD11 ILE A 46 -5.002 -7.999 -5.468 1.00 72.21 H new ATOM 0 HD12 ILE A 46 -5.868 -9.190 -6.467 1.00 72.21 H new ATOM 0 HD13 ILE A 46 -6.619 -8.562 -4.981 1.00 72.21 H new ATOM 705 N LEU A 47 -5.933 -14.448 -5.016 1.00 73.24 N ATOM 706 CA LEU A 47 -6.648 -15.722 -5.225 1.00 40.52 C ATOM 707 C LEU A 47 -6.028 -16.852 -4.383 1.00 53.41 C ATOM 708 O LEU A 47 -6.708 -17.816 -4.026 1.00 42.32 O ATOM 709 CB LEU A 47 -6.659 -16.101 -6.734 1.00 20.11 C ATOM 710 CG LEU A 47 -7.468 -15.150 -7.677 1.00 54.13 C ATOM 711 CD1 LEU A 47 -7.295 -15.550 -9.162 1.00 11.14 C ATOM 712 CD2 LEU A 47 -8.958 -15.107 -7.271 1.00 41.30 C ATOM 0 H LEU A 47 -5.381 -14.159 -5.823 1.00 73.24 H new ATOM 0 HA LEU A 47 -7.678 -15.588 -4.896 1.00 40.52 H new ATOM 0 HB2 LEU A 47 -5.628 -16.137 -7.086 1.00 20.11 H new ATOM 0 HB3 LEU A 47 -7.065 -17.108 -6.832 1.00 20.11 H new ATOM 0 HG LEU A 47 -7.065 -14.144 -7.564 1.00 54.13 H new ATOM 0 HD11 LEU A 47 -7.869 -14.870 -9.791 1.00 11.14 H new ATOM 0 HD12 LEU A 47 -6.241 -15.493 -9.434 1.00 11.14 H new ATOM 0 HD13 LEU A 47 -7.653 -16.569 -9.308 1.00 11.14 H new ATOM 0 HD21 LEU A 47 -9.499 -14.439 -7.942 1.00 41.30 H new ATOM 0 HD22 LEU A 47 -9.382 -16.109 -7.337 1.00 41.30 H new ATOM 0 HD23 LEU A 47 -9.046 -14.743 -6.248 1.00 41.30 H new ATOM 724 N LYS A 48 -4.723 -16.719 -4.091 1.00 53.04 N ATOM 725 CA LYS A 48 -3.995 -17.640 -3.197 1.00 54.22 C ATOM 726 C LYS A 48 -4.378 -17.363 -1.734 1.00 51.34 C ATOM 727 O LYS A 48 -4.548 -18.294 -0.943 1.00 12.11 O ATOM 728 CB LYS A 48 -2.464 -17.481 -3.398 1.00 1.13 C ATOM 729 CG LYS A 48 -1.587 -18.312 -2.427 1.00 51.43 C ATOM 730 CD LYS A 48 -0.075 -18.150 -2.694 1.00 51.41 C ATOM 731 CE LYS A 48 0.356 -18.707 -4.060 1.00 45.41 C ATOM 732 NZ LYS A 48 0.125 -20.174 -4.166 1.00 33.35 N ATOM 0 H LYS A 48 -4.142 -15.970 -4.467 1.00 53.04 H new ATOM 0 HA LYS A 48 -4.271 -18.666 -3.442 1.00 54.22 H new ATOM 0 HB2 LYS A 48 -2.216 -17.764 -4.421 1.00 1.13 H new ATOM 0 HB3 LYS A 48 -2.205 -16.428 -3.287 1.00 1.13 H new ATOM 0 HG2 LYS A 48 -1.804 -18.011 -1.402 1.00 51.43 H new ATOM 0 HG3 LYS A 48 -1.855 -19.365 -2.514 1.00 51.43 H new ATOM 0 HD2 LYS A 48 0.187 -17.093 -2.640 1.00 51.41 H new ATOM 0 HD3 LYS A 48 0.484 -18.658 -1.908 1.00 51.41 H new ATOM 0 HE2 LYS A 48 -0.195 -18.196 -4.849 1.00 45.41 H new ATOM 0 HE3 LYS A 48 1.413 -18.495 -4.220 1.00 45.41 H new ATOM 0 HZ1 LYS A 48 0.566 -20.533 -5.037 1.00 33.35 H new ATOM 0 HZ2 LYS A 48 0.544 -20.652 -3.343 1.00 33.35 H new ATOM 0 HZ3 LYS A 48 -0.897 -20.363 -4.192 1.00 33.35 H new ATOM 746 N GLN A 49 -4.539 -16.071 -1.400 1.00 54.34 N ATOM 747 CA GLN A 49 -4.997 -15.635 -0.070 1.00 52.01 C ATOM 748 C GLN A 49 -6.492 -15.963 0.087 1.00 23.03 C ATOM 749 O GLN A 49 -7.251 -15.904 -0.886 1.00 1.52 O ATOM 750 CB GLN A 49 -4.722 -14.107 0.142 1.00 3.31 C ATOM 751 CG GLN A 49 -5.349 -13.458 1.415 1.00 64.03 C ATOM 752 CD GLN A 49 -4.872 -14.017 2.767 1.00 1.24 C ATOM 753 OE1 GLN A 49 -4.476 -15.177 2.902 1.00 22.25 O ATOM 754 NE2 GLN A 49 -4.968 -13.202 3.802 1.00 14.33 N ATOM 0 H GLN A 49 -4.356 -15.301 -2.043 1.00 54.34 H new ATOM 0 HA GLN A 49 -4.438 -16.172 0.697 1.00 52.01 H new ATOM 0 HB2 GLN A 49 -3.643 -13.956 0.178 1.00 3.31 H new ATOM 0 HB3 GLN A 49 -5.090 -13.569 -0.732 1.00 3.31 H new ATOM 0 HG2 GLN A 49 -5.139 -12.389 1.393 1.00 64.03 H new ATOM 0 HG3 GLN A 49 -6.432 -13.572 1.360 1.00 64.03 H new ATOM 0 HE21 GLN A 49 -5.298 -12.246 3.669 1.00 14.33 H new ATOM 0 HE22 GLN A 49 -4.712 -13.529 4.734 1.00 14.33 H new ATOM 763 N ALA A 50 -6.882 -16.344 1.312 1.00 43.24 N ATOM 764 CA ALA A 50 -8.273 -16.669 1.661 1.00 53.22 C ATOM 765 C ALA A 50 -9.205 -15.477 1.368 1.00 52.33 C ATOM 766 O ALA A 50 -10.226 -15.630 0.694 1.00 51.53 O ATOM 767 CB ALA A 50 -8.357 -17.090 3.138 1.00 5.44 C ATOM 0 H ALA A 50 -6.235 -16.436 2.095 1.00 43.24 H new ATOM 0 HA ALA A 50 -8.605 -17.504 1.044 1.00 53.22 H new ATOM 0 HB1 ALA A 50 -9.390 -17.329 3.390 1.00 5.44 H new ATOM 0 HB2 ALA A 50 -7.731 -17.967 3.303 1.00 5.44 H new ATOM 0 HB3 ALA A 50 -8.010 -16.272 3.770 1.00 5.44 H new ATOM 773 N ASP A 51 -8.806 -14.286 1.840 1.00 2.01 N ATOM 774 CA ASP A 51 -9.553 -13.031 1.613 1.00 64.03 C ATOM 775 C ASP A 51 -9.231 -12.459 0.226 1.00 10.13 C ATOM 776 O ASP A 51 -8.057 -12.334 -0.144 1.00 22.02 O ATOM 777 CB ASP A 51 -9.224 -11.994 2.708 1.00 62.22 C ATOM 778 CG ASP A 51 -9.628 -12.480 4.108 1.00 52.20 C ATOM 779 OD1 ASP A 51 -8.806 -13.147 4.778 1.00 34.33 O ATOM 780 OD2 ASP A 51 -10.772 -12.220 4.534 1.00 60.42 O ATOM 0 H ASP A 51 -7.956 -14.162 2.391 1.00 2.01 H new ATOM 0 HA ASP A 51 -10.619 -13.255 1.660 1.00 64.03 H new ATOM 0 HB2 ASP A 51 -8.155 -11.780 2.694 1.00 62.22 H new ATOM 0 HB3 ASP A 51 -9.739 -11.059 2.487 1.00 62.22 H new ATOM 785 N LYS A 52 -10.289 -12.105 -0.525 1.00 51.51 N ATOM 786 CA LYS A 52 -10.192 -11.592 -1.903 1.00 44.52 C ATOM 787 C LYS A 52 -10.169 -10.054 -1.899 1.00 53.33 C ATOM 788 O LYS A 52 -11.105 -9.377 -2.359 1.00 2.31 O ATOM 789 CB LYS A 52 -11.341 -12.185 -2.765 1.00 14.41 C ATOM 790 CG LYS A 52 -11.302 -13.729 -2.829 1.00 54.02 C ATOM 791 CD LYS A 52 -9.991 -14.274 -3.445 1.00 64.20 C ATOM 792 CE LYS A 52 -9.893 -15.807 -3.384 1.00 0.34 C ATOM 793 NZ LYS A 52 -9.865 -16.311 -1.992 1.00 4.04 N ATOM 0 H LYS A 52 -11.249 -12.168 -0.187 1.00 51.51 H new ATOM 0 HA LYS A 52 -9.255 -11.912 -2.357 1.00 44.52 H new ATOM 0 HB2 LYS A 52 -12.299 -11.866 -2.355 1.00 14.41 H new ATOM 0 HB3 LYS A 52 -11.277 -11.782 -3.776 1.00 14.41 H new ATOM 0 HG2 LYS A 52 -11.420 -14.132 -1.823 1.00 54.02 H new ATOM 0 HG3 LYS A 52 -12.149 -14.085 -3.416 1.00 54.02 H new ATOM 0 HD2 LYS A 52 -9.922 -13.952 -4.484 1.00 64.20 H new ATOM 0 HD3 LYS A 52 -9.141 -13.839 -2.920 1.00 64.20 H new ATOM 0 HE2 LYS A 52 -10.741 -16.245 -3.910 1.00 0.34 H new ATOM 0 HE3 LYS A 52 -8.993 -16.133 -3.905 1.00 0.34 H new ATOM 0 HZ1 LYS A 52 -10.169 -17.305 -1.977 1.00 4.04 H new ATOM 0 HZ2 LYS A 52 -8.898 -16.239 -1.616 1.00 4.04 H new ATOM 0 HZ3 LYS A 52 -10.508 -15.743 -1.404 1.00 4.04 H new ATOM 807 N VAL A 53 -9.063 -9.529 -1.342 1.00 40.44 N ATOM 808 CA VAL A 53 -8.811 -8.092 -1.192 1.00 31.34 C ATOM 809 C VAL A 53 -7.291 -7.838 -1.031 1.00 30.33 C ATOM 810 O VAL A 53 -6.577 -8.637 -0.408 1.00 14.23 O ATOM 811 CB VAL A 53 -9.615 -7.496 0.031 1.00 24.02 C ATOM 812 CG1 VAL A 53 -9.299 -8.226 1.363 1.00 21.34 C ATOM 813 CG2 VAL A 53 -9.412 -5.966 0.147 1.00 54.23 C ATOM 0 H VAL A 53 -8.306 -10.107 -0.977 1.00 40.44 H new ATOM 0 HA VAL A 53 -9.159 -7.583 -2.091 1.00 31.34 H new ATOM 0 HB VAL A 53 -10.672 -7.672 -0.169 1.00 24.02 H new ATOM 0 HG11 VAL A 53 -9.878 -7.777 2.170 1.00 21.34 H new ATOM 0 HG12 VAL A 53 -9.561 -9.280 1.271 1.00 21.34 H new ATOM 0 HG13 VAL A 53 -8.236 -8.135 1.585 1.00 21.34 H new ATOM 0 HG21 VAL A 53 -9.978 -5.587 0.998 1.00 54.23 H new ATOM 0 HG22 VAL A 53 -8.353 -5.749 0.290 1.00 54.23 H new ATOM 0 HG23 VAL A 53 -9.761 -5.482 -0.765 1.00 54.23 H new ATOM 823 N ALA A 54 -6.815 -6.725 -1.611 1.00 60.45 N ATOM 824 CA ALA A 54 -5.426 -6.264 -1.497 1.00 2.22 C ATOM 825 C ALA A 54 -5.419 -4.793 -1.073 1.00 14.34 C ATOM 826 O ALA A 54 -6.078 -3.960 -1.696 1.00 50.13 O ATOM 827 CB ALA A 54 -4.686 -6.438 -2.824 1.00 42.55 C ATOM 0 H ALA A 54 -7.396 -6.111 -2.182 1.00 60.45 H new ATOM 0 HA ALA A 54 -4.911 -6.863 -0.746 1.00 2.22 H new ATOM 0 HB1 ALA A 54 -3.659 -6.090 -2.716 1.00 42.55 H new ATOM 0 HB2 ALA A 54 -4.685 -7.491 -3.104 1.00 42.55 H new ATOM 0 HB3 ALA A 54 -5.186 -5.857 -3.599 1.00 42.55 H new ATOM 833 N TYR A 55 -4.681 -4.491 -0.007 1.00 24.41 N ATOM 834 CA TYR A 55 -4.575 -3.143 0.556 1.00 64.41 C ATOM 835 C TYR A 55 -3.254 -2.506 0.099 1.00 2.32 C ATOM 836 O TYR A 55 -2.174 -2.917 0.522 1.00 23.13 O ATOM 837 CB TYR A 55 -4.653 -3.215 2.098 1.00 0.14 C ATOM 838 CG TYR A 55 -5.942 -3.860 2.637 1.00 11.43 C ATOM 839 CD1 TYR A 55 -6.075 -5.247 2.703 1.00 53.21 C ATOM 840 CD2 TYR A 55 -7.017 -3.086 3.082 1.00 25.25 C ATOM 841 CE1 TYR A 55 -7.221 -5.831 3.182 1.00 31.34 C ATOM 842 CE2 TYR A 55 -8.166 -3.677 3.567 1.00 33.24 C ATOM 843 CZ TYR A 55 -8.259 -5.050 3.613 1.00 54.32 C ATOM 844 OH TYR A 55 -9.402 -5.651 4.082 1.00 73.44 O ATOM 0 H TYR A 55 -4.131 -5.185 0.499 1.00 24.41 H new ATOM 0 HA TYR A 55 -5.400 -2.525 0.203 1.00 64.41 H new ATOM 0 HB2 TYR A 55 -3.796 -3.779 2.468 1.00 0.14 H new ATOM 0 HB3 TYR A 55 -4.569 -2.206 2.502 1.00 0.14 H new ATOM 0 HD1 TYR A 55 -5.260 -5.873 2.371 1.00 53.21 H new ATOM 0 HD2 TYR A 55 -6.948 -2.009 3.046 1.00 25.25 H new ATOM 0 HE1 TYR A 55 -7.304 -6.907 3.219 1.00 31.34 H new ATOM 0 HE2 TYR A 55 -8.988 -3.066 3.909 1.00 33.24 H new ATOM 0 HH TYR A 55 -9.176 -6.516 4.484 1.00 73.44 H new ATOM 854 N LEU A 56 -3.356 -1.537 -0.805 1.00 14.51 N ATOM 855 CA LEU A 56 -2.206 -0.780 -1.310 1.00 32.21 C ATOM 856 C LEU A 56 -1.734 0.240 -0.250 1.00 51.22 C ATOM 857 O LEU A 56 -2.389 1.259 -0.024 1.00 54.34 O ATOM 858 CB LEU A 56 -2.604 -0.078 -2.638 1.00 2.42 C ATOM 859 CG LEU A 56 -1.550 0.894 -3.255 1.00 73.11 C ATOM 860 CD1 LEU A 56 -0.221 0.195 -3.582 1.00 33.40 C ATOM 861 CD2 LEU A 56 -2.133 1.618 -4.484 1.00 33.44 C ATOM 0 H LEU A 56 -4.245 -1.249 -1.214 1.00 14.51 H new ATOM 0 HA LEU A 56 -1.374 -1.455 -1.509 1.00 32.21 H new ATOM 0 HB2 LEU A 56 -2.832 -0.847 -3.376 1.00 2.42 H new ATOM 0 HB3 LEU A 56 -3.524 0.481 -2.466 1.00 2.42 H new ATOM 0 HG LEU A 56 -1.317 1.642 -2.497 1.00 73.11 H new ATOM 0 HD11 LEU A 56 0.475 0.918 -4.008 1.00 33.40 H new ATOM 0 HD12 LEU A 56 0.204 -0.224 -2.670 1.00 33.40 H new ATOM 0 HD13 LEU A 56 -0.398 -0.606 -4.300 1.00 33.40 H new ATOM 0 HD21 LEU A 56 -1.383 2.291 -4.900 1.00 33.44 H new ATOM 0 HD22 LEU A 56 -2.419 0.884 -5.237 1.00 33.44 H new ATOM 0 HD23 LEU A 56 -3.010 2.192 -4.186 1.00 33.44 H new ATOM 873 N VAL A 57 -0.602 -0.066 0.404 1.00 64.44 N ATOM 874 CA VAL A 57 -0.010 0.794 1.450 1.00 13.04 C ATOM 875 C VAL A 57 1.115 1.664 0.843 1.00 40.14 C ATOM 876 O VAL A 57 2.047 1.131 0.220 1.00 70.55 O ATOM 877 CB VAL A 57 0.558 -0.064 2.655 1.00 62.13 C ATOM 878 CG1 VAL A 57 1.146 0.831 3.779 1.00 23.24 C ATOM 879 CG2 VAL A 57 -0.530 -1.016 3.204 1.00 63.01 C ATOM 0 H VAL A 57 -0.068 -0.917 0.225 1.00 64.44 H new ATOM 0 HA VAL A 57 -0.798 1.438 1.841 1.00 13.04 H new ATOM 0 HB VAL A 57 1.380 -0.668 2.272 1.00 62.13 H new ATOM 0 HG11 VAL A 57 1.524 0.202 4.585 1.00 23.24 H new ATOM 0 HG12 VAL A 57 1.961 1.433 3.376 1.00 23.24 H new ATOM 0 HG13 VAL A 57 0.367 1.488 4.166 1.00 23.24 H new ATOM 0 HG21 VAL A 57 -0.122 -1.597 4.031 1.00 63.01 H new ATOM 0 HG22 VAL A 57 -1.380 -0.432 3.556 1.00 63.01 H new ATOM 0 HG23 VAL A 57 -0.856 -1.691 2.413 1.00 63.01 H new ATOM 889 N MET A 58 1.001 2.997 1.009 1.00 3.35 N ATOM 890 CA MET A 58 2.056 3.969 0.651 1.00 10.41 C ATOM 891 C MET A 58 2.130 5.046 1.751 1.00 30.43 C ATOM 892 O MET A 58 1.401 4.985 2.746 1.00 12.34 O ATOM 893 CB MET A 58 1.792 4.609 -0.761 1.00 54.21 C ATOM 894 CG MET A 58 0.728 5.723 -0.831 1.00 13.04 C ATOM 895 SD MET A 58 -0.929 5.202 -0.349 1.00 60.25 S ATOM 896 CE MET A 58 -1.337 4.084 -1.672 1.00 22.44 C ATOM 0 H MET A 58 0.166 3.434 1.399 1.00 3.35 H new ATOM 0 HA MET A 58 3.014 3.454 0.584 1.00 10.41 H new ATOM 0 HB2 MET A 58 2.733 5.015 -1.132 1.00 54.21 H new ATOM 0 HB3 MET A 58 1.496 3.813 -1.445 1.00 54.21 H new ATOM 0 HG2 MET A 58 1.038 6.546 -0.187 1.00 13.04 H new ATOM 0 HG3 MET A 58 0.692 6.111 -1.849 1.00 13.04 H new ATOM 0 HE1 MET A 58 -1.941 3.264 -1.283 1.00 22.44 H new ATOM 0 HE2 MET A 58 -1.900 4.617 -2.438 1.00 22.44 H new ATOM 0 HE3 MET A 58 -0.421 3.685 -2.107 1.00 22.44 H new ATOM 906 N ASP A 59 3.036 6.006 1.567 1.00 24.25 N ATOM 907 CA ASP A 59 3.150 7.208 2.419 1.00 2.42 C ATOM 908 C ASP A 59 2.392 8.379 1.773 1.00 34.05 C ATOM 909 O ASP A 59 1.991 8.296 0.605 1.00 72.13 O ATOM 910 CB ASP A 59 4.639 7.562 2.609 1.00 41.43 C ATOM 911 CG ASP A 59 5.391 7.718 1.275 1.00 63.35 C ATOM 912 OD1 ASP A 59 5.899 6.701 0.744 1.00 64.33 O ATOM 913 OD2 ASP A 59 5.455 8.838 0.743 1.00 73.35 O ATOM 0 H ASP A 59 3.724 5.978 0.815 1.00 24.25 H new ATOM 0 HA ASP A 59 2.708 7.009 3.395 1.00 2.42 H new ATOM 0 HB2 ASP A 59 4.718 8.490 3.176 1.00 41.43 H new ATOM 0 HB3 ASP A 59 5.120 6.784 3.203 1.00 41.43 H new ATOM 918 N GLU A 60 2.237 9.487 2.528 1.00 53.11 N ATOM 919 CA GLU A 60 1.477 10.664 2.067 1.00 12.51 C ATOM 920 C GLU A 60 2.153 11.360 0.871 1.00 72.34 C ATOM 921 O GLU A 60 1.461 11.880 0.004 1.00 14.53 O ATOM 922 CB GLU A 60 1.218 11.680 3.223 1.00 10.51 C ATOM 923 CG GLU A 60 0.213 12.794 2.837 1.00 3.41 C ATOM 924 CD GLU A 60 -0.223 13.708 3.995 1.00 52.33 C ATOM 925 OE1 GLU A 60 -1.042 13.275 4.825 1.00 73.41 O ATOM 926 OE2 GLU A 60 0.224 14.875 4.056 1.00 64.23 O ATOM 0 H GLU A 60 2.631 9.589 3.463 1.00 53.11 H new ATOM 0 HA GLU A 60 0.511 10.290 1.728 1.00 12.51 H new ATOM 0 HB2 GLU A 60 0.840 11.143 4.093 1.00 10.51 H new ATOM 0 HB3 GLU A 60 2.163 12.137 3.516 1.00 10.51 H new ATOM 0 HG2 GLU A 60 0.659 13.410 2.056 1.00 3.41 H new ATOM 0 HG3 GLU A 60 -0.674 12.329 2.408 1.00 3.41 H new ATOM 933 N ARG A 61 3.496 11.315 0.807 1.00 61.54 N ATOM 934 CA ARG A 61 4.274 11.995 -0.258 1.00 24.31 C ATOM 935 C ARG A 61 4.027 11.316 -1.629 1.00 51.12 C ATOM 936 O ARG A 61 3.970 11.990 -2.663 1.00 2.35 O ATOM 937 CB ARG A 61 5.804 12.015 0.090 1.00 54.31 C ATOM 938 CG ARG A 61 6.458 13.418 0.056 1.00 25.22 C ATOM 939 CD ARG A 61 5.915 14.348 1.161 1.00 15.34 C ATOM 940 NE ARG A 61 6.463 15.711 1.070 1.00 62.54 N ATOM 941 CZ ARG A 61 6.920 16.436 2.098 1.00 72.24 C ATOM 942 NH1 ARG A 61 6.926 15.949 3.342 1.00 62.30 N ATOM 943 NH2 ARG A 61 7.362 17.660 1.872 1.00 24.10 N ATOM 0 H ARG A 61 4.073 10.813 1.482 1.00 61.54 H new ATOM 0 HA ARG A 61 3.933 13.028 -0.322 1.00 24.31 H new ATOM 0 HB2 ARG A 61 5.942 11.589 1.084 1.00 54.31 H new ATOM 0 HB3 ARG A 61 6.330 11.367 -0.611 1.00 54.31 H new ATOM 0 HG2 ARG A 61 7.537 13.315 0.169 1.00 25.22 H new ATOM 0 HG3 ARG A 61 6.282 13.874 -0.918 1.00 25.22 H new ATOM 0 HD2 ARG A 61 4.828 14.392 1.093 1.00 15.34 H new ATOM 0 HD3 ARG A 61 6.157 13.927 2.137 1.00 15.34 H new ATOM 0 HE ARG A 61 6.497 16.139 0.145 1.00 62.54 H new ATOM 0 HH11 ARG A 61 6.578 15.007 3.523 1.00 62.30 H new ATOM 0 HH12 ARG A 61 7.279 16.519 4.111 1.00 62.30 H new ATOM 0 HH21 ARG A 61 7.352 18.039 0.925 1.00 24.10 H new ATOM 0 HH22 ARG A 61 7.714 18.226 2.644 1.00 24.10 H new ATOM 957 N THR A 62 3.892 9.977 -1.609 1.00 72.15 N ATOM 958 CA THR A 62 3.523 9.185 -2.799 1.00 15.14 C ATOM 959 C THR A 62 2.018 9.356 -3.111 1.00 63.14 C ATOM 960 O THR A 62 1.622 9.407 -4.287 1.00 11.14 O ATOM 961 CB THR A 62 3.876 7.672 -2.589 1.00 62.55 C ATOM 962 OG1 THR A 62 5.267 7.556 -2.246 1.00 60.42 O ATOM 963 CG2 THR A 62 3.593 6.799 -3.837 1.00 55.43 C ATOM 0 H THR A 62 4.035 9.414 -0.770 1.00 72.15 H new ATOM 0 HA THR A 62 4.097 9.552 -3.650 1.00 15.14 H new ATOM 0 HB THR A 62 3.235 7.305 -1.787 1.00 62.55 H new ATOM 0 HG1 THR A 62 5.352 7.169 -1.350 1.00 60.42 H new ATOM 0 HG21 THR A 62 3.859 5.764 -3.625 1.00 55.43 H new ATOM 0 HG22 THR A 62 2.534 6.857 -4.089 1.00 55.43 H new ATOM 0 HG23 THR A 62 4.186 7.161 -4.677 1.00 55.43 H new ATOM 971 N TRP A 63 1.192 9.488 -2.044 1.00 74.44 N ATOM 972 CA TRP A 63 -0.265 9.684 -2.180 1.00 13.41 C ATOM 973 C TRP A 63 -0.600 11.036 -2.838 1.00 15.40 C ATOM 974 O TRP A 63 -1.590 11.114 -3.561 1.00 31.42 O ATOM 975 CB TRP A 63 -1.000 9.563 -0.814 1.00 13.53 C ATOM 976 CG TRP A 63 -2.462 10.006 -0.860 1.00 65.01 C ATOM 977 CD1 TRP A 63 -2.976 11.186 -0.388 1.00 22.52 C ATOM 978 CD2 TRP A 63 -3.569 9.317 -1.481 1.00 41.30 C ATOM 979 NE1 TRP A 63 -4.320 11.253 -0.650 1.00 53.41 N ATOM 980 CE2 TRP A 63 -4.709 10.126 -1.312 1.00 41.24 C ATOM 981 CE3 TRP A 63 -3.713 8.089 -2.145 1.00 44.14 C ATOM 982 CZ2 TRP A 63 -5.964 9.761 -1.792 1.00 55.01 C ATOM 983 CZ3 TRP A 63 -4.964 7.728 -2.618 1.00 64.25 C ATOM 984 CH2 TRP A 63 -6.074 8.561 -2.436 1.00 35.41 C ATOM 0 H TRP A 63 1.516 9.461 -1.077 1.00 74.44 H new ATOM 0 HA TRP A 63 -0.621 8.885 -2.830 1.00 13.41 H new ATOM 0 HB2 TRP A 63 -0.954 8.527 -0.478 1.00 13.53 H new ATOM 0 HB3 TRP A 63 -0.471 10.163 -0.073 1.00 13.53 H new ATOM 0 HD1 TRP A 63 -2.405 11.951 0.117 1.00 22.52 H new ATOM 0 HE1 TRP A 63 -4.933 12.025 -0.390 1.00 53.41 H new ATOM 0 HE3 TRP A 63 -2.863 7.437 -2.285 1.00 44.14 H new ATOM 0 HZ2 TRP A 63 -6.821 10.404 -1.660 1.00 55.01 H new ATOM 0 HZ3 TRP A 63 -5.085 6.788 -3.136 1.00 64.25 H new ATOM 0 HH2 TRP A 63 -7.037 8.249 -2.812 1.00 35.41 H new ATOM 995 N LYS A 64 0.217 12.086 -2.572 1.00 70.24 N ATOM 996 CA LYS A 64 0.032 13.430 -3.175 1.00 42.11 C ATOM 997 C LYS A 64 -0.158 13.327 -4.692 1.00 52.03 C ATOM 998 O LYS A 64 -1.083 13.911 -5.265 1.00 35.11 O ATOM 999 CB LYS A 64 1.260 14.342 -2.908 1.00 32.13 C ATOM 1000 CG LYS A 64 1.536 14.671 -1.435 1.00 64.51 C ATOM 1001 CD LYS A 64 0.297 15.236 -0.706 1.00 31.34 C ATOM 1002 CE LYS A 64 0.638 15.791 0.681 1.00 52.32 C ATOM 1003 NZ LYS A 64 -0.571 16.305 1.390 1.00 74.14 N ATOM 0 H LYS A 64 1.015 12.026 -1.940 1.00 70.24 H new ATOM 0 HA LYS A 64 -0.856 13.862 -2.713 1.00 42.11 H new ATOM 0 HB2 LYS A 64 2.144 13.861 -3.326 1.00 32.13 H new ATOM 0 HB3 LYS A 64 1.120 15.277 -3.450 1.00 32.13 H new ATOM 0 HG2 LYS A 64 1.874 13.770 -0.923 1.00 64.51 H new ATOM 0 HG3 LYS A 64 2.349 15.395 -1.375 1.00 64.51 H new ATOM 0 HD2 LYS A 64 -0.148 16.026 -1.311 1.00 31.34 H new ATOM 0 HD3 LYS A 64 -0.452 14.450 -0.606 1.00 31.34 H new ATOM 0 HE2 LYS A 64 1.104 15.009 1.280 1.00 52.32 H new ATOM 0 HE3 LYS A 64 1.368 16.594 0.581 1.00 52.32 H new ATOM 0 HZ1 LYS A 64 -0.557 17.345 1.391 1.00 74.14 H new ATOM 0 HZ2 LYS A 64 -1.427 15.971 0.903 1.00 74.14 H new ATOM 0 HZ3 LYS A 64 -0.572 15.958 2.370 1.00 74.14 H new ATOM 1017 N LYS A 65 0.699 12.490 -5.286 1.00 52.20 N ATOM 1018 CA LYS A 65 0.776 12.300 -6.729 1.00 51.32 C ATOM 1019 C LYS A 65 -0.426 11.503 -7.243 1.00 1.02 C ATOM 1020 O LYS A 65 -1.014 11.870 -8.248 1.00 44.05 O ATOM 1021 CB LYS A 65 2.105 11.591 -7.083 1.00 32.13 C ATOM 1022 CG LYS A 65 3.360 12.214 -6.428 1.00 61.33 C ATOM 1023 CD LYS A 65 3.513 13.727 -6.694 1.00 30.31 C ATOM 1024 CE LYS A 65 3.569 14.064 -8.181 1.00 54.23 C ATOM 1025 NZ LYS A 65 3.801 15.518 -8.408 1.00 32.14 N ATOM 0 H LYS A 65 1.366 11.920 -4.766 1.00 52.20 H new ATOM 0 HA LYS A 65 0.752 13.274 -7.218 1.00 51.32 H new ATOM 0 HB2 LYS A 65 2.035 10.546 -6.783 1.00 32.13 H new ATOM 0 HB3 LYS A 65 2.232 11.604 -8.166 1.00 32.13 H new ATOM 0 HG2 LYS A 65 3.319 12.046 -5.352 1.00 61.33 H new ATOM 0 HG3 LYS A 65 4.246 11.698 -6.798 1.00 61.33 H new ATOM 0 HD2 LYS A 65 2.678 14.258 -6.237 1.00 30.31 H new ATOM 0 HD3 LYS A 65 4.421 14.086 -6.210 1.00 30.31 H new ATOM 0 HE2 LYS A 65 4.366 13.490 -8.654 1.00 54.23 H new ATOM 0 HE3 LYS A 65 2.635 13.766 -8.657 1.00 54.23 H new ATOM 0 HZ1 LYS A 65 3.833 15.709 -9.430 1.00 32.14 H new ATOM 0 HZ2 LYS A 65 3.028 16.064 -7.978 1.00 32.14 H new ATOM 0 HZ3 LYS A 65 4.705 15.797 -7.975 1.00 32.14 H new ATOM 1039 N VAL A 66 -0.792 10.430 -6.511 1.00 40.41 N ATOM 1040 CA VAL A 66 -1.975 9.588 -6.831 1.00 52.45 C ATOM 1041 C VAL A 66 -3.262 10.446 -6.833 1.00 22.12 C ATOM 1042 O VAL A 66 -4.093 10.346 -7.739 1.00 32.02 O ATOM 1043 CB VAL A 66 -2.121 8.397 -5.802 1.00 53.33 C ATOM 1044 CG1 VAL A 66 -3.351 7.503 -6.118 1.00 64.35 C ATOM 1045 CG2 VAL A 66 -0.820 7.560 -5.741 1.00 60.23 C ATOM 0 H VAL A 66 -0.282 10.120 -5.684 1.00 40.41 H new ATOM 0 HA VAL A 66 -1.827 9.166 -7.825 1.00 52.45 H new ATOM 0 HB VAL A 66 -2.291 8.835 -4.818 1.00 53.33 H new ATOM 0 HG11 VAL A 66 -3.413 6.697 -5.386 1.00 64.35 H new ATOM 0 HG12 VAL A 66 -4.259 8.104 -6.073 1.00 64.35 H new ATOM 0 HG13 VAL A 66 -3.246 7.079 -7.117 1.00 64.35 H new ATOM 0 HG21 VAL A 66 -0.944 6.746 -5.026 1.00 60.23 H new ATOM 0 HG22 VAL A 66 -0.606 7.148 -6.727 1.00 60.23 H new ATOM 0 HG23 VAL A 66 0.007 8.196 -5.426 1.00 60.23 H new ATOM 1055 N TYR A 67 -3.346 11.339 -5.836 1.00 41.53 N ATOM 1056 CA TYR A 67 -4.473 12.267 -5.630 1.00 31.44 C ATOM 1057 C TYR A 67 -4.549 13.307 -6.772 1.00 20.11 C ATOM 1058 O TYR A 67 -5.650 13.719 -7.182 1.00 5.12 O ATOM 1059 CB TYR A 67 -4.315 12.959 -4.245 1.00 5.13 C ATOM 1060 CG TYR A 67 -5.438 13.944 -3.877 1.00 71.43 C ATOM 1061 CD1 TYR A 67 -6.688 13.487 -3.452 1.00 3.33 C ATOM 1062 CD2 TYR A 67 -5.251 15.328 -3.961 1.00 45.42 C ATOM 1063 CE1 TYR A 67 -7.702 14.370 -3.129 1.00 4.41 C ATOM 1064 CE2 TYR A 67 -6.265 16.209 -3.637 1.00 53.31 C ATOM 1065 CZ TYR A 67 -7.485 15.725 -3.223 1.00 31.31 C ATOM 1066 OH TYR A 67 -8.494 16.602 -2.901 1.00 75.21 O ATOM 0 H TYR A 67 -2.615 11.440 -5.132 1.00 41.53 H new ATOM 0 HA TYR A 67 -5.409 11.708 -5.643 1.00 31.44 H new ATOM 0 HB2 TYR A 67 -4.261 12.189 -3.475 1.00 5.13 H new ATOM 0 HB3 TYR A 67 -3.365 13.493 -4.229 1.00 5.13 H new ATOM 0 HD1 TYR A 67 -6.866 12.425 -3.374 1.00 3.33 H new ATOM 0 HD2 TYR A 67 -4.296 15.715 -4.285 1.00 45.42 H new ATOM 0 HE1 TYR A 67 -8.662 13.997 -2.804 1.00 4.41 H new ATOM 0 HE2 TYR A 67 -6.101 17.274 -3.708 1.00 53.31 H new ATOM 0 HH TYR A 67 -8.178 17.522 -3.020 1.00 75.21 H new ATOM 1076 N ASP A 68 -3.364 13.719 -7.278 1.00 34.54 N ATOM 1077 CA ASP A 68 -3.255 14.583 -8.471 1.00 64.35 C ATOM 1078 C ASP A 68 -3.816 13.853 -9.704 1.00 40.22 C ATOM 1079 O ASP A 68 -4.663 14.395 -10.397 1.00 35.24 O ATOM 1080 CB ASP A 68 -1.778 15.030 -8.744 1.00 64.35 C ATOM 1081 CG ASP A 68 -1.253 16.130 -7.796 1.00 14.33 C ATOM 1082 OD1 ASP A 68 -1.887 17.208 -7.729 1.00 41.31 O ATOM 1083 OD2 ASP A 68 -0.206 15.931 -7.138 1.00 73.54 O ATOM 0 H ASP A 68 -2.464 13.463 -6.873 1.00 34.54 H new ATOM 0 HA ASP A 68 -3.840 15.482 -8.276 1.00 64.35 H new ATOM 0 HB2 ASP A 68 -1.128 14.159 -8.663 1.00 64.35 H new ATOM 0 HB3 ASP A 68 -1.705 15.388 -9.771 1.00 64.35 H new ATOM 1088 N LEU A 69 -3.366 12.591 -9.899 1.00 5.11 N ATOM 1089 CA LEU A 69 -3.692 11.752 -11.085 1.00 1.31 C ATOM 1090 C LEU A 69 -5.204 11.537 -11.226 1.00 73.23 C ATOM 1091 O LEU A 69 -5.740 11.580 -12.339 1.00 24.54 O ATOM 1092 CB LEU A 69 -2.979 10.377 -10.990 1.00 54.42 C ATOM 1093 CG LEU A 69 -1.430 10.424 -10.968 1.00 2.34 C ATOM 1094 CD1 LEU A 69 -0.850 9.020 -10.742 1.00 1.13 C ATOM 1095 CD2 LEU A 69 -0.864 11.083 -12.243 1.00 53.43 C ATOM 0 H LEU A 69 -2.758 12.118 -9.231 1.00 5.11 H new ATOM 0 HA LEU A 69 -3.338 12.285 -11.967 1.00 1.31 H new ATOM 0 HB2 LEU A 69 -3.322 9.872 -10.087 1.00 54.42 H new ATOM 0 HB3 LEU A 69 -3.294 9.766 -11.836 1.00 54.42 H new ATOM 0 HG LEU A 69 -1.122 11.049 -10.130 1.00 2.34 H new ATOM 0 HD11 LEU A 69 0.239 9.074 -10.730 1.00 1.13 H new ATOM 0 HD12 LEU A 69 -1.205 8.629 -9.788 1.00 1.13 H new ATOM 0 HD13 LEU A 69 -1.172 8.360 -11.547 1.00 1.13 H new ATOM 0 HD21 LEU A 69 0.225 11.098 -12.192 1.00 53.43 H new ATOM 0 HD22 LEU A 69 -1.178 10.513 -13.117 1.00 53.43 H new ATOM 0 HD23 LEU A 69 -1.238 12.104 -12.322 1.00 53.43 H new ATOM 1107 N LEU A 70 -5.863 11.335 -10.074 1.00 13.34 N ATOM 1108 CA LEU A 70 -7.319 11.145 -9.997 1.00 34.01 C ATOM 1109 C LEU A 70 -8.054 12.363 -10.588 1.00 31.35 C ATOM 1110 O LEU A 70 -8.807 12.233 -11.555 1.00 54.14 O ATOM 1111 CB LEU A 70 -7.749 10.880 -8.521 1.00 72.12 C ATOM 1112 CG LEU A 70 -7.174 9.584 -7.877 1.00 43.22 C ATOM 1113 CD1 LEU A 70 -7.681 9.401 -6.428 1.00 51.34 C ATOM 1114 CD2 LEU A 70 -7.469 8.349 -8.760 1.00 23.33 C ATOM 0 H LEU A 70 -5.398 11.299 -9.167 1.00 13.34 H new ATOM 0 HA LEU A 70 -7.595 10.273 -10.590 1.00 34.01 H new ATOM 0 HB2 LEU A 70 -7.444 11.732 -7.914 1.00 72.12 H new ATOM 0 HB3 LEU A 70 -8.837 10.833 -8.481 1.00 72.12 H new ATOM 0 HG LEU A 70 -6.090 9.687 -7.819 1.00 43.22 H new ATOM 0 HD11 LEU A 70 -7.261 8.487 -6.008 1.00 51.34 H new ATOM 0 HD12 LEU A 70 -7.371 10.254 -5.824 1.00 51.34 H new ATOM 0 HD13 LEU A 70 -8.769 9.333 -6.429 1.00 51.34 H new ATOM 0 HD21 LEU A 70 -7.057 7.457 -8.288 1.00 23.33 H new ATOM 0 HD22 LEU A 70 -8.547 8.233 -8.876 1.00 23.33 H new ATOM 0 HD23 LEU A 70 -7.012 8.485 -9.740 1.00 23.33 H new ATOM 1126 N ILE A 71 -7.745 13.547 -10.043 1.00 23.22 N ATOM 1127 CA ILE A 71 -8.363 14.828 -10.451 1.00 44.20 C ATOM 1128 C ILE A 71 -7.881 15.264 -11.868 1.00 5.13 C ATOM 1129 O ILE A 71 -8.603 15.951 -12.604 1.00 62.03 O ATOM 1130 CB ILE A 71 -8.055 15.939 -9.365 1.00 33.44 C ATOM 1131 CG1 ILE A 71 -8.537 15.454 -7.952 1.00 40.43 C ATOM 1132 CG2 ILE A 71 -8.694 17.306 -9.735 1.00 43.22 C ATOM 1133 CD1 ILE A 71 -8.280 16.424 -6.812 1.00 62.13 C ATOM 0 H ILE A 71 -7.054 13.650 -9.300 1.00 23.22 H new ATOM 0 HA ILE A 71 -9.443 14.693 -10.512 1.00 44.20 H new ATOM 0 HB ILE A 71 -6.976 16.093 -9.337 1.00 33.44 H new ATOM 0 HG12 ILE A 71 -9.607 15.251 -8.001 1.00 40.43 H new ATOM 0 HG13 ILE A 71 -8.044 14.510 -7.722 1.00 40.43 H new ATOM 0 HG21 ILE A 71 -8.458 18.039 -8.963 1.00 43.22 H new ATOM 0 HG22 ILE A 71 -8.298 17.646 -10.692 1.00 43.22 H new ATOM 0 HG23 ILE A 71 -9.776 17.194 -9.810 1.00 43.22 H new ATOM 0 HD11 ILE A 71 -8.649 15.996 -5.880 1.00 62.13 H new ATOM 0 HD12 ILE A 71 -7.209 16.610 -6.727 1.00 62.13 H new ATOM 0 HD13 ILE A 71 -8.797 17.363 -7.010 1.00 62.13 H new ATOM 1145 N LEU A 72 -6.676 14.796 -12.245 1.00 43.33 N ATOM 1146 CA LEU A 72 -6.020 15.107 -13.536 1.00 63.03 C ATOM 1147 C LEU A 72 -6.785 14.433 -14.688 1.00 64.14 C ATOM 1148 O LEU A 72 -7.026 15.051 -15.727 1.00 32.20 O ATOM 1149 CB LEU A 72 -4.525 14.634 -13.477 1.00 23.23 C ATOM 1150 CG LEU A 72 -3.531 15.091 -14.607 1.00 21.34 C ATOM 1151 CD1 LEU A 72 -3.697 14.284 -15.923 1.00 35.41 C ATOM 1152 CD2 LEU A 72 -3.632 16.620 -14.847 1.00 61.32 C ATOM 0 H LEU A 72 -6.119 14.180 -11.653 1.00 43.33 H new ATOM 0 HA LEU A 72 -6.034 16.182 -13.718 1.00 63.03 H new ATOM 0 HB2 LEU A 72 -4.113 14.966 -12.524 1.00 23.23 H new ATOM 0 HB3 LEU A 72 -4.526 13.544 -13.462 1.00 23.23 H new ATOM 0 HG LEU A 72 -2.524 14.871 -14.252 1.00 21.34 H new ATOM 0 HD11 LEU A 72 -2.984 14.646 -16.664 1.00 35.41 H new ATOM 0 HD12 LEU A 72 -3.513 13.228 -15.728 1.00 35.41 H new ATOM 0 HD13 LEU A 72 -4.711 14.412 -16.303 1.00 35.41 H new ATOM 0 HD21 LEU A 72 -2.935 16.912 -15.633 1.00 61.32 H new ATOM 0 HD22 LEU A 72 -4.648 16.874 -15.150 1.00 61.32 H new ATOM 0 HD23 LEU A 72 -3.384 17.150 -13.927 1.00 61.32 H new ATOM 1164 N HIS A 73 -7.139 13.149 -14.496 1.00 20.43 N ATOM 1165 CA HIS A 73 -7.874 12.372 -15.511 1.00 63.30 C ATOM 1166 C HIS A 73 -9.373 12.709 -15.432 1.00 71.31 C ATOM 1167 O HIS A 73 -9.927 13.257 -16.387 1.00 40.23 O ATOM 1168 CB HIS A 73 -7.643 10.844 -15.330 1.00 52.55 C ATOM 1169 CG HIS A 73 -6.252 10.367 -15.663 1.00 63.25 C ATOM 1170 ND1 HIS A 73 -6.006 9.289 -16.486 1.00 33.11 N ATOM 1171 CD2 HIS A 73 -5.035 10.793 -15.249 1.00 10.20 C ATOM 1172 CE1 HIS A 73 -4.710 9.082 -16.564 1.00 64.13 C ATOM 1173 NE2 HIS A 73 -4.098 9.980 -15.827 1.00 4.32 N ATOM 0 H HIS A 73 -6.927 12.627 -13.646 1.00 20.43 H new ATOM 0 HA HIS A 73 -7.497 12.644 -16.497 1.00 63.30 H new ATOM 0 HB2 HIS A 73 -7.865 10.578 -14.296 1.00 52.55 H new ATOM 0 HB3 HIS A 73 -8.355 10.307 -15.957 1.00 52.55 H new ATOM 0 HD2 HIS A 73 -4.840 11.622 -14.585 1.00 10.20 H new ATOM 0 HE1 HIS A 73 -4.229 8.304 -17.138 1.00 64.13 H new ATOM 0 HE2 HIS A 73 -3.088 10.059 -15.705 1.00 4.32 H new ATOM 1182 N ASP A 74 -9.983 12.398 -14.262 1.00 74.05 N ATOM 1183 CA ASP A 74 -11.407 12.679 -13.942 1.00 31.15 C ATOM 1184 C ASP A 74 -11.764 11.993 -12.610 1.00 23.34 C ATOM 1185 O ASP A 74 -11.917 10.770 -12.580 1.00 41.50 O ATOM 1186 CB ASP A 74 -12.377 12.179 -15.063 1.00 10.51 C ATOM 1187 CG ASP A 74 -13.867 12.423 -14.759 1.00 0.01 C ATOM 1188 OD1 ASP A 74 -14.334 13.576 -14.895 1.00 71.33 O ATOM 1189 OD2 ASP A 74 -14.576 11.466 -14.381 1.00 63.12 O ATOM 0 H ASP A 74 -9.490 11.935 -13.498 1.00 74.05 H new ATOM 0 HA ASP A 74 -11.527 13.760 -13.866 1.00 31.15 H new ATOM 0 HB2 ASP A 74 -12.122 12.677 -15.998 1.00 10.51 H new ATOM 0 HB3 ASP A 74 -12.218 11.112 -15.216 1.00 10.51 H new ATOM 1194 N PHE A 75 -11.837 12.774 -11.516 1.00 41.01 N ATOM 1195 CA PHE A 75 -12.277 12.281 -10.187 1.00 52.44 C ATOM 1196 C PHE A 75 -12.406 13.485 -9.242 1.00 25.20 C ATOM 1197 O PHE A 75 -11.428 14.203 -9.009 1.00 30.12 O ATOM 1198 CB PHE A 75 -11.277 11.230 -9.596 1.00 43.00 C ATOM 1199 CG PHE A 75 -11.808 10.264 -8.517 1.00 42.33 C ATOM 1200 CD1 PHE A 75 -13.010 10.463 -7.844 1.00 64.52 C ATOM 1201 CD2 PHE A 75 -11.068 9.132 -8.187 1.00 53.35 C ATOM 1202 CE1 PHE A 75 -13.449 9.564 -6.888 1.00 34.32 C ATOM 1203 CE2 PHE A 75 -11.506 8.237 -7.227 1.00 34.43 C ATOM 1204 CZ PHE A 75 -12.698 8.452 -6.579 1.00 75.13 C ATOM 0 H PHE A 75 -11.594 13.765 -11.523 1.00 41.01 H new ATOM 0 HA PHE A 75 -13.238 11.778 -10.297 1.00 52.44 H new ATOM 0 HB2 PHE A 75 -10.892 10.632 -10.422 1.00 43.00 H new ATOM 0 HB3 PHE A 75 -10.431 11.772 -9.174 1.00 43.00 H new ATOM 0 HD1 PHE A 75 -13.609 11.332 -8.071 1.00 64.52 H new ATOM 0 HD2 PHE A 75 -10.131 8.948 -8.692 1.00 53.35 H new ATOM 0 HE1 PHE A 75 -14.387 9.736 -6.381 1.00 34.32 H new ATOM 0 HE2 PHE A 75 -10.910 7.369 -6.987 1.00 34.43 H new ATOM 0 HZ PHE A 75 -13.044 7.753 -5.832 1.00 75.13 H new ATOM 1214 N THR A 76 -13.618 13.694 -8.718 1.00 20.22 N ATOM 1215 CA THR A 76 -13.948 14.806 -7.847 1.00 55.21 C ATOM 1216 C THR A 76 -13.296 14.616 -6.449 1.00 43.44 C ATOM 1217 O THR A 76 -13.430 13.536 -5.867 1.00 11.10 O ATOM 1218 CB THR A 76 -15.506 14.909 -7.716 1.00 1.32 C ATOM 1219 OG1 THR A 76 -16.102 14.948 -9.028 1.00 33.52 O ATOM 1220 CG2 THR A 76 -15.943 16.147 -6.920 1.00 0.30 C ATOM 0 H THR A 76 -14.409 13.075 -8.897 1.00 20.22 H new ATOM 0 HA THR A 76 -13.558 15.729 -8.276 1.00 55.21 H new ATOM 0 HB THR A 76 -15.846 14.028 -7.171 1.00 1.32 H new ATOM 0 HG1 THR A 76 -17.076 15.011 -8.943 1.00 33.52 H new ATOM 0 HG21 THR A 76 -17.031 16.174 -6.857 1.00 0.30 H new ATOM 0 HG22 THR A 76 -15.522 16.101 -5.916 1.00 0.30 H new ATOM 0 HG23 THR A 76 -15.586 17.047 -7.422 1.00 0.30 H new ATOM 1228 N PRO A 77 -12.575 15.657 -5.902 1.00 63.32 N ATOM 1229 CA PRO A 77 -11.986 15.627 -4.530 1.00 64.22 C ATOM 1230 C PRO A 77 -13.002 15.225 -3.439 1.00 3.52 C ATOM 1231 O PRO A 77 -12.643 14.545 -2.482 1.00 42.22 O ATOM 1232 CB PRO A 77 -11.457 17.080 -4.322 1.00 41.40 C ATOM 1233 CG PRO A 77 -12.029 17.892 -5.449 1.00 52.32 C ATOM 1234 CD PRO A 77 -12.219 16.926 -6.590 1.00 31.22 C ATOM 0 HA PRO A 77 -11.206 14.871 -4.444 1.00 64.22 H new ATOM 0 HB2 PRO A 77 -11.772 17.476 -3.356 1.00 41.40 H new ATOM 0 HB3 PRO A 77 -10.367 17.105 -4.337 1.00 41.40 H new ATOM 0 HG2 PRO A 77 -12.976 18.349 -5.161 1.00 52.32 H new ATOM 0 HG3 PRO A 77 -11.356 18.702 -5.729 1.00 52.32 H new ATOM 0 HD2 PRO A 77 -13.008 17.252 -7.267 1.00 31.22 H new ATOM 0 HD3 PRO A 77 -11.312 16.821 -7.185 1.00 31.22 H new ATOM 1242 N GLU A 78 -14.271 15.640 -3.632 1.00 54.35 N ATOM 1243 CA GLU A 78 -15.401 15.314 -2.731 1.00 11.21 C ATOM 1244 C GLU A 78 -15.645 13.793 -2.636 1.00 22.41 C ATOM 1245 O GLU A 78 -15.919 13.260 -1.553 1.00 72.21 O ATOM 1246 CB GLU A 78 -16.683 16.031 -3.219 1.00 14.13 C ATOM 1247 CG GLU A 78 -16.570 17.563 -3.249 1.00 31.21 C ATOM 1248 CD GLU A 78 -17.859 18.243 -3.736 1.00 12.21 C ATOM 1249 OE1 GLU A 78 -18.019 18.429 -4.961 1.00 74.12 O ATOM 1250 OE2 GLU A 78 -18.726 18.573 -2.903 1.00 21.43 O ATOM 0 H GLU A 78 -14.545 16.218 -4.427 1.00 54.35 H new ATOM 0 HA GLU A 78 -15.142 15.664 -1.732 1.00 11.21 H new ATOM 0 HB2 GLU A 78 -16.927 15.675 -4.220 1.00 14.13 H new ATOM 0 HB3 GLU A 78 -17.513 15.751 -2.570 1.00 14.13 H new ATOM 0 HG2 GLU A 78 -16.328 17.925 -2.250 1.00 31.21 H new ATOM 0 HG3 GLU A 78 -15.744 17.850 -3.900 1.00 31.21 H new ATOM 1257 N GLU A 79 -15.528 13.106 -3.781 1.00 1.35 N ATOM 1258 CA GLU A 79 -15.768 11.652 -3.872 1.00 21.24 C ATOM 1259 C GLU A 79 -14.543 10.848 -3.396 1.00 73.11 C ATOM 1260 O GLU A 79 -14.680 9.696 -2.983 1.00 24.24 O ATOM 1261 CB GLU A 79 -16.167 11.256 -5.316 1.00 61.52 C ATOM 1262 CG GLU A 79 -17.343 12.062 -5.900 1.00 14.21 C ATOM 1263 CD GLU A 79 -18.601 12.049 -5.012 1.00 41.42 C ATOM 1264 OE1 GLU A 79 -19.357 11.046 -5.040 1.00 51.03 O ATOM 1265 OE2 GLU A 79 -18.835 13.040 -4.278 1.00 32.45 O ATOM 0 H GLU A 79 -15.266 13.536 -4.668 1.00 1.35 H new ATOM 0 HA GLU A 79 -16.597 11.407 -3.208 1.00 21.24 H new ATOM 0 HB2 GLU A 79 -15.300 11.380 -5.965 1.00 61.52 H new ATOM 0 HB3 GLU A 79 -16.427 10.197 -5.330 1.00 61.52 H new ATOM 0 HG2 GLU A 79 -17.026 13.094 -6.051 1.00 14.21 H new ATOM 0 HG3 GLU A 79 -17.597 11.660 -6.881 1.00 14.21 H new ATOM 1272 N ILE A 80 -13.352 11.470 -3.457 1.00 2.01 N ATOM 1273 CA ILE A 80 -12.101 10.872 -2.950 1.00 22.32 C ATOM 1274 C ILE A 80 -12.114 10.868 -1.404 1.00 1.22 C ATOM 1275 O ILE A 80 -11.922 9.826 -0.764 1.00 74.21 O ATOM 1276 CB ILE A 80 -10.840 11.660 -3.495 1.00 71.30 C ATOM 1277 CG1 ILE A 80 -10.844 11.698 -5.062 1.00 34.10 C ATOM 1278 CG2 ILE A 80 -9.516 11.059 -2.953 1.00 51.11 C ATOM 1279 CD1 ILE A 80 -9.762 12.563 -5.693 1.00 21.05 C ATOM 0 H ILE A 80 -13.228 12.400 -3.858 1.00 2.01 H new ATOM 0 HA ILE A 80 -12.033 9.844 -3.307 1.00 22.32 H new ATOM 0 HB ILE A 80 -10.905 12.685 -3.130 1.00 71.30 H new ATOM 0 HG12 ILE A 80 -10.735 10.679 -5.434 1.00 34.10 H new ATOM 0 HG13 ILE A 80 -11.816 12.058 -5.398 1.00 34.10 H new ATOM 0 HG21 ILE A 80 -8.672 11.624 -3.347 1.00 51.11 H new ATOM 0 HG22 ILE A 80 -9.511 11.112 -1.864 1.00 51.11 H new ATOM 0 HG23 ILE A 80 -9.434 10.018 -3.266 1.00 51.11 H new ATOM 0 HD11 ILE A 80 -9.851 12.522 -6.779 1.00 21.05 H new ATOM 0 HD12 ILE A 80 -9.879 13.594 -5.358 1.00 21.05 H new ATOM 0 HD13 ILE A 80 -8.781 12.194 -5.395 1.00 21.05 H new ATOM 1291 N LYS A 81 -12.416 12.044 -0.823 1.00 4.14 N ATOM 1292 CA LYS A 81 -12.363 12.272 0.636 1.00 40.21 C ATOM 1293 C LYS A 81 -13.490 11.529 1.387 1.00 62.42 C ATOM 1294 O LYS A 81 -13.349 11.223 2.573 1.00 43.35 O ATOM 1295 CB LYS A 81 -12.414 13.784 0.936 1.00 63.10 C ATOM 1296 CG LYS A 81 -13.764 14.454 0.603 1.00 23.54 C ATOM 1297 CD LYS A 81 -13.683 15.991 0.511 1.00 2.14 C ATOM 1298 CE LYS A 81 -13.221 16.661 1.813 1.00 3.21 C ATOM 1299 NZ LYS A 81 -13.273 18.149 1.712 1.00 34.42 N ATOM 0 H LYS A 81 -12.705 12.866 -1.353 1.00 4.14 H new ATOM 0 HA LYS A 81 -11.419 11.864 0.998 1.00 40.21 H new ATOM 0 HB2 LYS A 81 -12.195 13.940 1.992 1.00 63.10 H new ATOM 0 HB3 LYS A 81 -11.626 14.281 0.370 1.00 63.10 H new ATOM 0 HG2 LYS A 81 -14.132 14.060 -0.345 1.00 23.54 H new ATOM 0 HG3 LYS A 81 -14.493 14.182 1.366 1.00 23.54 H new ATOM 0 HD2 LYS A 81 -12.997 16.263 -0.291 1.00 2.14 H new ATOM 0 HD3 LYS A 81 -14.663 16.383 0.239 1.00 2.14 H new ATOM 0 HE2 LYS A 81 -13.852 16.329 2.638 1.00 3.21 H new ATOM 0 HE3 LYS A 81 -12.203 16.346 2.044 1.00 3.21 H new ATOM 0 HZ1 LYS A 81 -12.954 18.569 2.608 1.00 34.42 H new ATOM 0 HZ2 LYS A 81 -12.652 18.467 0.941 1.00 34.42 H new ATOM 0 HZ3 LYS A 81 -14.249 18.450 1.516 1.00 34.42 H new ATOM 1313 N SER A 82 -14.607 11.257 0.682 1.00 71.43 N ATOM 1314 CA SER A 82 -15.761 10.517 1.244 1.00 71.13 C ATOM 1315 C SER A 82 -15.405 9.050 1.554 1.00 5.12 C ATOM 1316 O SER A 82 -16.035 8.417 2.411 1.00 63.32 O ATOM 1317 CB SER A 82 -16.954 10.590 0.271 1.00 2.31 C ATOM 1318 OG SER A 82 -16.634 10.018 -0.983 1.00 22.32 O ATOM 0 H SER A 82 -14.737 11.542 -0.289 1.00 71.43 H new ATOM 0 HA SER A 82 -16.036 10.989 2.187 1.00 71.13 H new ATOM 0 HB2 SER A 82 -17.809 10.070 0.702 1.00 2.31 H new ATOM 0 HB3 SER A 82 -17.250 11.630 0.133 1.00 2.31 H new ATOM 0 HG SER A 82 -17.411 10.078 -1.578 1.00 22.32 H new ATOM 1324 N PHE A 83 -14.383 8.526 0.846 1.00 23.34 N ATOM 1325 CA PHE A 83 -13.856 7.165 1.078 1.00 24.43 C ATOM 1326 C PHE A 83 -12.925 7.113 2.309 1.00 72.12 C ATOM 1327 O PHE A 83 -12.485 6.035 2.681 1.00 62.32 O ATOM 1328 CB PHE A 83 -13.110 6.635 -0.180 1.00 41.23 C ATOM 1329 CG PHE A 83 -13.994 6.349 -1.406 1.00 23.52 C ATOM 1330 CD1 PHE A 83 -15.218 5.699 -1.261 1.00 62.24 C ATOM 1331 CD2 PHE A 83 -13.598 6.714 -2.700 1.00 45.42 C ATOM 1332 CE1 PHE A 83 -16.020 5.429 -2.357 1.00 51.12 C ATOM 1333 CE2 PHE A 83 -14.403 6.443 -3.795 1.00 30.44 C ATOM 1334 CZ PHE A 83 -15.612 5.800 -3.621 1.00 54.14 C ATOM 0 H PHE A 83 -13.902 9.031 0.102 1.00 23.34 H new ATOM 0 HA PHE A 83 -14.712 6.520 1.277 1.00 24.43 H new ATOM 0 HB2 PHE A 83 -12.351 7.364 -0.464 1.00 41.23 H new ATOM 0 HB3 PHE A 83 -12.586 5.718 0.090 1.00 41.23 H new ATOM 0 HD1 PHE A 83 -15.547 5.401 -0.277 1.00 62.24 H new ATOM 0 HD2 PHE A 83 -12.652 7.214 -2.846 1.00 45.42 H new ATOM 0 HE1 PHE A 83 -16.967 4.927 -2.222 1.00 51.12 H new ATOM 0 HE2 PHE A 83 -14.084 6.735 -4.785 1.00 30.44 H new ATOM 0 HZ PHE A 83 -16.238 5.587 -4.475 1.00 54.14 H new ATOM 1344 N PHE A 84 -12.598 8.275 2.898 1.00 32.40 N ATOM 1345 CA PHE A 84 -11.855 8.360 4.181 1.00 70.01 C ATOM 1346 C PHE A 84 -12.822 8.404 5.372 1.00 40.10 C ATOM 1347 O PHE A 84 -12.496 7.948 6.478 1.00 1.12 O ATOM 1348 CB PHE A 84 -10.943 9.616 4.213 1.00 44.21 C ATOM 1349 CG PHE A 84 -9.764 9.573 3.242 1.00 15.11 C ATOM 1350 CD1 PHE A 84 -9.892 10.026 1.934 1.00 1.53 C ATOM 1351 CD2 PHE A 84 -8.524 9.092 3.648 1.00 25.34 C ATOM 1352 CE1 PHE A 84 -8.823 10.005 1.059 1.00 30.32 C ATOM 1353 CE2 PHE A 84 -7.458 9.062 2.777 1.00 54.21 C ATOM 1354 CZ PHE A 84 -7.605 9.521 1.482 1.00 13.35 C ATOM 0 H PHE A 84 -12.838 9.185 2.504 1.00 32.40 H new ATOM 0 HA PHE A 84 -11.234 7.467 4.258 1.00 70.01 H new ATOM 0 HB2 PHE A 84 -11.549 10.494 3.989 1.00 44.21 H new ATOM 0 HB3 PHE A 84 -10.558 9.744 5.225 1.00 44.21 H new ATOM 0 HD1 PHE A 84 -10.846 10.402 1.595 1.00 1.53 H new ATOM 0 HD2 PHE A 84 -8.395 8.737 4.660 1.00 25.34 H new ATOM 0 HE1 PHE A 84 -8.942 10.366 0.048 1.00 30.32 H new ATOM 0 HE2 PHE A 84 -6.504 8.678 3.107 1.00 54.21 H new ATOM 0 HZ PHE A 84 -6.766 9.500 0.802 1.00 13.35 H new ATOM 1364 N GLU A 85 -13.999 8.975 5.129 1.00 12.41 N ATOM 1365 CA GLU A 85 -15.001 9.240 6.162 1.00 32.24 C ATOM 1366 C GLU A 85 -15.813 7.956 6.479 1.00 22.31 C ATOM 1367 O GLU A 85 -16.661 7.528 5.680 1.00 62.45 O ATOM 1368 CB GLU A 85 -15.925 10.388 5.683 1.00 5.31 C ATOM 1369 CG GLU A 85 -15.216 11.708 5.297 1.00 43.44 C ATOM 1370 CD GLU A 85 -16.195 12.785 4.777 1.00 15.03 C ATOM 1371 OE1 GLU A 85 -16.884 12.525 3.766 1.00 54.13 O ATOM 1372 OE2 GLU A 85 -16.302 13.876 5.384 1.00 22.41 O ATOM 0 H GLU A 85 -14.289 9.271 4.197 1.00 12.41 H new ATOM 0 HA GLU A 85 -14.506 9.544 7.084 1.00 32.24 H new ATOM 0 HB2 GLU A 85 -16.492 10.037 4.821 1.00 5.31 H new ATOM 0 HB3 GLU A 85 -16.645 10.602 6.472 1.00 5.31 H new ATOM 0 HG2 GLU A 85 -14.684 12.096 6.165 1.00 43.44 H new ATOM 0 HG3 GLU A 85 -14.469 11.503 4.531 1.00 43.44 H new ATOM 1379 N ASN A 86 -15.514 7.335 7.643 1.00 24.54 N ATOM 1380 CA ASN A 86 -16.256 6.166 8.167 1.00 22.33 C ATOM 1381 C ASN A 86 -17.618 6.641 8.720 1.00 74.33 C ATOM 1382 O ASN A 86 -17.727 7.088 9.868 1.00 12.11 O ATOM 1383 CB ASN A 86 -15.404 5.426 9.246 1.00 25.12 C ATOM 1384 CG ASN A 86 -16.133 4.262 9.947 1.00 21.54 C ATOM 1385 OD1 ASN A 86 -16.097 3.080 9.352 1.00 10.24 O flip ATOM 1386 ND2 ASN A 86 -16.734 4.436 11.009 1.00 32.31 N flip ATOM 0 H ASN A 86 -14.748 7.632 8.247 1.00 24.54 H new ATOM 0 HA ASN A 86 -16.446 5.450 7.368 1.00 22.33 H new ATOM 0 HB2 ASN A 86 -14.499 5.041 8.775 1.00 25.12 H new ATOM 0 HB3 ASN A 86 -15.089 6.147 10.000 1.00 25.12 H new ATOM 0 HD21 ASN A 86 -16.744 5.359 11.444 1.00 32.31 H new ATOM 0 HD22 ASN A 86 -17.221 3.657 11.453 1.00 32.31 H new ATOM 1393 N LYS A 87 -18.642 6.601 7.846 1.00 51.04 N ATOM 1394 CA LYS A 87 -19.996 7.148 8.120 1.00 61.25 C ATOM 1395 C LYS A 87 -21.078 6.052 8.020 1.00 72.43 C ATOM 1396 O LYS A 87 -22.248 6.347 7.756 1.00 35.15 O ATOM 1397 CB LYS A 87 -20.295 8.294 7.107 1.00 31.34 C ATOM 1398 CG LYS A 87 -19.349 9.515 7.191 1.00 61.12 C ATOM 1399 CD LYS A 87 -19.608 10.564 6.076 1.00 33.52 C ATOM 1400 CE LYS A 87 -19.389 9.993 4.660 1.00 51.22 C ATOM 1401 NZ LYS A 87 -19.514 11.043 3.610 1.00 55.43 N ATOM 0 H LYS A 87 -18.557 6.185 6.919 1.00 51.04 H new ATOM 0 HA LYS A 87 -20.017 7.536 9.138 1.00 61.25 H new ATOM 0 HB2 LYS A 87 -20.246 7.886 6.097 1.00 31.34 H new ATOM 0 HB3 LYS A 87 -21.318 8.637 7.263 1.00 31.34 H new ATOM 0 HG2 LYS A 87 -19.466 9.992 8.164 1.00 61.12 H new ATOM 0 HG3 LYS A 87 -18.316 9.172 7.126 1.00 61.12 H new ATOM 0 HD2 LYS A 87 -20.630 10.933 6.160 1.00 33.52 H new ATOM 0 HD3 LYS A 87 -18.947 11.418 6.225 1.00 33.52 H new ATOM 0 HE2 LYS A 87 -18.400 9.537 4.602 1.00 51.22 H new ATOM 0 HE3 LYS A 87 -20.116 9.203 4.471 1.00 51.22 H new ATOM 0 HZ1 LYS A 87 -19.665 10.593 2.685 1.00 55.43 H new ATOM 0 HZ2 LYS A 87 -20.321 11.660 3.831 1.00 55.43 H new ATOM 0 HZ3 LYS A 87 -18.643 11.610 3.580 1.00 55.43 H new ATOM 1415 N GLY A 88 -20.688 4.793 8.263 1.00 42.03 N ATOM 1416 CA GLY A 88 -21.601 3.652 8.175 1.00 1.41 C ATOM 1417 C GLY A 88 -20.862 2.375 7.829 1.00 62.44 C ATOM 1418 O GLY A 88 -21.090 1.328 8.435 1.00 51.30 O ATOM 0 H GLY A 88 -19.735 4.541 8.525 1.00 42.03 H new ATOM 0 HA2 GLY A 88 -22.121 3.527 9.125 1.00 1.41 H new ATOM 0 HA3 GLY A 88 -22.361 3.850 7.419 1.00 1.41 H new ATOM 1422 N LYS A 89 -19.954 2.481 6.842 1.00 63.02 N ATOM 1423 CA LYS A 89 -19.116 1.359 6.366 1.00 21.22 C ATOM 1424 C LYS A 89 -17.631 1.704 6.498 1.00 55.41 C ATOM 1425 O LYS A 89 -17.275 2.850 6.818 1.00 2.31 O ATOM 1426 CB LYS A 89 -19.465 0.999 4.883 1.00 14.14 C ATOM 1427 CG LYS A 89 -20.897 0.458 4.625 1.00 73.15 C ATOM 1428 CD LYS A 89 -21.101 -1.052 4.963 1.00 14.51 C ATOM 1429 CE LYS A 89 -21.121 -1.369 6.467 1.00 64.21 C ATOM 1430 NZ LYS A 89 -21.499 -2.781 6.757 1.00 13.32 N ATOM 0 H LYS A 89 -19.778 3.355 6.346 1.00 63.02 H new ATOM 0 HA LYS A 89 -19.325 0.489 6.988 1.00 21.22 H new ATOM 0 HB2 LYS A 89 -19.321 1.890 4.272 1.00 14.14 H new ATOM 0 HB3 LYS A 89 -18.750 0.254 4.534 1.00 14.14 H new ATOM 0 HG2 LYS A 89 -21.603 1.045 5.213 1.00 73.15 H new ATOM 0 HG3 LYS A 89 -21.146 0.617 3.576 1.00 73.15 H new ATOM 0 HD2 LYS A 89 -22.039 -1.387 4.521 1.00 14.51 H new ATOM 0 HD3 LYS A 89 -20.304 -1.628 4.493 1.00 14.51 H new ATOM 0 HE2 LYS A 89 -20.136 -1.168 6.889 1.00 64.21 H new ATOM 0 HE3 LYS A 89 -21.823 -0.701 6.965 1.00 64.21 H new ATOM 0 HZ1 LYS A 89 -21.496 -2.937 7.785 1.00 13.32 H new ATOM 0 HZ2 LYS A 89 -22.450 -2.970 6.381 1.00 13.32 H new ATOM 0 HZ3 LYS A 89 -20.815 -3.423 6.307 1.00 13.32 H new ATOM 1444 N ARG A 90 -16.791 0.685 6.245 1.00 42.43 N ATOM 1445 CA ARG A 90 -15.328 0.791 6.262 1.00 74.22 C ATOM 1446 C ARG A 90 -14.842 1.862 5.261 1.00 42.34 C ATOM 1447 O ARG A 90 -15.351 1.914 4.131 1.00 72.23 O ATOM 1448 CB ARG A 90 -14.700 -0.585 5.893 1.00 53.32 C ATOM 1449 CG ARG A 90 -13.159 -0.616 5.894 1.00 61.14 C ATOM 1450 CD ARG A 90 -12.603 -1.963 5.431 1.00 15.44 C ATOM 1451 NE ARG A 90 -13.002 -3.078 6.309 1.00 45.03 N ATOM 1452 CZ ARG A 90 -12.379 -4.261 6.373 1.00 31.20 C ATOM 1453 NH1 ARG A 90 -11.341 -4.523 5.590 1.00 22.41 N ATOM 1454 NH2 ARG A 90 -12.805 -5.182 7.220 1.00 30.03 N ATOM 0 H ARG A 90 -17.121 -0.253 6.019 1.00 42.43 H new ATOM 0 HA ARG A 90 -15.016 1.085 7.264 1.00 74.22 H new ATOM 0 HB2 ARG A 90 -15.064 -1.334 6.596 1.00 53.32 H new ATOM 0 HB3 ARG A 90 -15.054 -0.876 4.904 1.00 53.32 H new ATOM 0 HG2 ARG A 90 -12.782 0.173 5.243 1.00 61.14 H new ATOM 0 HG3 ARG A 90 -12.795 -0.401 6.899 1.00 61.14 H new ATOM 0 HD2 ARG A 90 -12.948 -2.164 4.417 1.00 15.44 H new ATOM 0 HD3 ARG A 90 -11.515 -1.908 5.393 1.00 15.44 H new ATOM 0 HE ARG A 90 -13.813 -2.938 6.912 1.00 45.03 H new ATOM 0 HH11 ARG A 90 -11.009 -3.819 4.930 1.00 22.41 H new ATOM 0 HH12 ARG A 90 -10.874 -5.428 5.648 1.00 22.41 H new ATOM 0 HH21 ARG A 90 -13.606 -4.990 7.822 1.00 30.03 H new ATOM 0 HH22 ARG A 90 -12.333 -6.085 7.272 1.00 30.03 H new ATOM 1468 N PRO A 91 -13.882 2.758 5.672 1.00 23.24 N ATOM 1469 CA PRO A 91 -13.233 3.682 4.731 1.00 12.11 C ATOM 1470 C PRO A 91 -12.398 2.897 3.685 1.00 2.00 C ATOM 1471 O PRO A 91 -11.577 2.046 4.049 1.00 75.33 O ATOM 1472 CB PRO A 91 -12.359 4.588 5.648 1.00 25.24 C ATOM 1473 CG PRO A 91 -12.148 3.802 6.906 1.00 65.44 C ATOM 1474 CD PRO A 91 -13.386 2.950 7.065 1.00 4.22 C ATOM 0 HA PRO A 91 -13.934 4.271 4.140 1.00 12.11 H new ATOM 0 HB2 PRO A 91 -11.409 4.828 5.171 1.00 25.24 H new ATOM 0 HB3 PRO A 91 -12.859 5.534 5.856 1.00 25.24 H new ATOM 0 HG2 PRO A 91 -11.253 3.184 6.837 1.00 65.44 H new ATOM 0 HG3 PRO A 91 -12.014 4.462 7.763 1.00 65.44 H new ATOM 0 HD2 PRO A 91 -13.155 1.997 7.540 1.00 4.22 H new ATOM 0 HD3 PRO A 91 -14.131 3.444 7.688 1.00 4.22 H new ATOM 1482 N VAL A 92 -12.672 3.159 2.394 1.00 31.53 N ATOM 1483 CA VAL A 92 -11.969 2.512 1.265 1.00 61.31 C ATOM 1484 C VAL A 92 -10.536 3.060 1.181 1.00 73.14 C ATOM 1485 O VAL A 92 -9.563 2.312 1.050 1.00 64.20 O ATOM 1486 CB VAL A 92 -12.736 2.765 -0.088 1.00 3.55 C ATOM 1487 CG1 VAL A 92 -12.079 2.015 -1.277 1.00 24.44 C ATOM 1488 CG2 VAL A 92 -14.234 2.405 0.067 1.00 61.51 C ATOM 0 H VAL A 92 -13.387 3.825 2.101 1.00 31.53 H new ATOM 0 HA VAL A 92 -11.936 1.436 1.434 1.00 61.31 H new ATOM 0 HB VAL A 92 -12.667 3.827 -0.321 1.00 3.55 H new ATOM 0 HG11 VAL A 92 -12.640 2.217 -2.189 1.00 24.44 H new ATOM 0 HG12 VAL A 92 -11.051 2.357 -1.399 1.00 24.44 H new ATOM 0 HG13 VAL A 92 -12.084 0.943 -1.078 1.00 24.44 H new ATOM 0 HG21 VAL A 92 -14.751 2.585 -0.876 1.00 61.51 H new ATOM 0 HG22 VAL A 92 -14.329 1.354 0.338 1.00 61.51 H new ATOM 0 HG23 VAL A 92 -14.678 3.023 0.848 1.00 61.51 H new ATOM 1498 N PHE A 93 -10.441 4.390 1.258 1.00 51.12 N ATOM 1499 CA PHE A 93 -9.172 5.107 1.371 1.00 32.25 C ATOM 1500 C PHE A 93 -8.952 5.411 2.855 1.00 62.33 C ATOM 1501 O PHE A 93 -9.735 6.134 3.462 1.00 21.55 O ATOM 1502 CB PHE A 93 -9.201 6.424 0.548 1.00 21.23 C ATOM 1503 CG PHE A 93 -9.465 6.306 -0.965 1.00 62.11 C ATOM 1504 CD1 PHE A 93 -9.447 5.081 -1.641 1.00 15.50 C ATOM 1505 CD2 PHE A 93 -9.731 7.456 -1.713 1.00 22.40 C ATOM 1506 CE1 PHE A 93 -9.690 5.013 -3.002 1.00 60.45 C ATOM 1507 CE2 PHE A 93 -9.972 7.383 -3.072 1.00 53.41 C ATOM 1508 CZ PHE A 93 -9.953 6.165 -3.715 1.00 52.05 C ATOM 0 H PHE A 93 -11.255 5.005 1.243 1.00 51.12 H new ATOM 0 HA PHE A 93 -8.359 4.499 0.975 1.00 32.25 H new ATOM 0 HB2 PHE A 93 -9.967 7.071 0.975 1.00 21.23 H new ATOM 0 HB3 PHE A 93 -8.245 6.929 0.685 1.00 21.23 H new ATOM 0 HD1 PHE A 93 -9.240 4.174 -1.092 1.00 15.50 H new ATOM 0 HD2 PHE A 93 -9.749 8.417 -1.221 1.00 22.40 H new ATOM 0 HE1 PHE A 93 -9.674 4.058 -3.506 1.00 60.45 H new ATOM 0 HE2 PHE A 93 -10.176 8.284 -3.632 1.00 53.41 H new ATOM 0 HZ PHE A 93 -10.144 6.112 -4.777 1.00 52.05 H new ATOM 1518 N VAL A 94 -7.917 4.826 3.447 1.00 3.14 N ATOM 1519 CA VAL A 94 -7.612 4.978 4.882 1.00 31.14 C ATOM 1520 C VAL A 94 -6.312 5.787 5.030 1.00 43.20 C ATOM 1521 O VAL A 94 -5.489 5.801 4.115 1.00 31.02 O ATOM 1522 CB VAL A 94 -7.475 3.565 5.574 1.00 63.40 C ATOM 1523 CG1 VAL A 94 -7.278 3.688 7.094 1.00 61.11 C ATOM 1524 CG2 VAL A 94 -8.691 2.662 5.254 1.00 23.25 C ATOM 0 H VAL A 94 -7.257 4.228 2.950 1.00 3.14 H new ATOM 0 HA VAL A 94 -8.427 5.508 5.375 1.00 31.14 H new ATOM 0 HB VAL A 94 -6.582 3.095 5.162 1.00 63.40 H new ATOM 0 HG11 VAL A 94 -7.188 2.693 7.531 1.00 61.11 H new ATOM 0 HG12 VAL A 94 -6.371 4.257 7.298 1.00 61.11 H new ATOM 0 HG13 VAL A 94 -8.135 4.201 7.532 1.00 61.11 H new ATOM 0 HG21 VAL A 94 -8.567 1.697 5.745 1.00 23.25 H new ATOM 0 HG22 VAL A 94 -9.603 3.138 5.615 1.00 23.25 H new ATOM 0 HG23 VAL A 94 -8.761 2.515 4.176 1.00 23.25 H new ATOM 1534 N LYS A 95 -6.156 6.482 6.171 1.00 21.52 N ATOM 1535 CA LYS A 95 -4.945 7.249 6.499 1.00 74.31 C ATOM 1536 C LYS A 95 -4.712 7.269 8.018 1.00 30.44 C ATOM 1537 O LYS A 95 -5.537 6.770 8.796 1.00 31.35 O ATOM 1538 CB LYS A 95 -5.042 8.692 5.953 1.00 2.34 C ATOM 1539 CG LYS A 95 -6.182 9.554 6.551 1.00 11.34 C ATOM 1540 CD LYS A 95 -6.137 11.015 6.042 1.00 1.03 C ATOM 1541 CE LYS A 95 -4.862 11.759 6.476 1.00 53.23 C ATOM 1542 NZ LYS A 95 -4.765 13.109 5.860 1.00 53.14 N ATOM 0 H LYS A 95 -6.873 6.526 6.895 1.00 21.52 H new ATOM 0 HA LYS A 95 -4.096 6.758 6.023 1.00 74.31 H new ATOM 0 HB2 LYS A 95 -4.093 9.196 6.137 1.00 2.34 H new ATOM 0 HB3 LYS A 95 -5.174 8.645 4.872 1.00 2.34 H new ATOM 0 HG2 LYS A 95 -7.144 9.111 6.294 1.00 11.34 H new ATOM 0 HG3 LYS A 95 -6.108 9.547 7.638 1.00 11.34 H new ATOM 0 HD2 LYS A 95 -6.201 11.018 4.954 1.00 1.03 H new ATOM 0 HD3 LYS A 95 -7.010 11.552 6.414 1.00 1.03 H new ATOM 0 HE2 LYS A 95 -4.851 11.855 7.562 1.00 53.23 H new ATOM 0 HE3 LYS A 95 -3.987 11.171 6.199 1.00 53.23 H new ATOM 0 HZ1 LYS A 95 -4.232 13.741 6.491 1.00 53.14 H new ATOM 0 HZ2 LYS A 95 -4.274 13.039 4.946 1.00 53.14 H new ATOM 0 HZ3 LYS A 95 -5.720 13.492 5.712 1.00 53.14 H new ATOM 1556 N GLY A 96 -3.562 7.835 8.411 1.00 12.44 N ATOM 1557 CA GLY A 96 -3.180 8.011 9.811 1.00 23.35 C ATOM 1558 C GLY A 96 -1.740 7.585 10.027 1.00 52.22 C ATOM 1559 O GLY A 96 -0.908 7.746 9.136 1.00 34.41 O ATOM 0 H GLY A 96 -2.865 8.186 7.754 1.00 12.44 H new ATOM 0 HA2 GLY A 96 -3.304 9.055 10.099 1.00 23.35 H new ATOM 0 HA3 GLY A 96 -3.839 7.424 10.450 1.00 23.35 H new ATOM 1563 N SER A 97 -1.437 7.055 11.215 1.00 74.12 N ATOM 1564 CA SER A 97 -0.145 6.402 11.493 1.00 42.15 C ATOM 1565 C SER A 97 -0.190 4.951 10.961 1.00 62.43 C ATOM 1566 O SER A 97 -1.249 4.499 10.521 1.00 75.24 O ATOM 1567 CB SER A 97 0.135 6.454 13.011 1.00 15.32 C ATOM 1568 OG SER A 97 1.481 6.141 13.302 1.00 61.24 O ATOM 0 H SER A 97 -2.074 7.064 12.011 1.00 74.12 H new ATOM 0 HA SER A 97 0.669 6.921 10.987 1.00 42.15 H new ATOM 0 HB2 SER A 97 -0.098 7.449 13.391 1.00 15.32 H new ATOM 0 HB3 SER A 97 -0.522 5.754 13.527 1.00 15.32 H new ATOM 0 HG SER A 97 1.625 6.185 14.270 1.00 61.24 H new ATOM 1574 N LEU A 98 0.946 4.228 11.007 1.00 2.01 N ATOM 1575 CA LEU A 98 1.049 2.849 10.461 1.00 71.25 C ATOM 1576 C LEU A 98 0.023 1.902 11.125 1.00 23.40 C ATOM 1577 O LEU A 98 -0.735 1.207 10.438 1.00 1.30 O ATOM 1578 CB LEU A 98 2.493 2.297 10.647 1.00 55.24 C ATOM 1579 CG LEU A 98 2.758 0.855 10.095 1.00 33.32 C ATOM 1580 CD1 LEU A 98 2.575 0.783 8.560 1.00 63.52 C ATOM 1581 CD2 LEU A 98 4.147 0.331 10.529 1.00 22.11 C ATOM 0 H LEU A 98 1.813 4.574 11.418 1.00 2.01 H new ATOM 0 HA LEU A 98 0.823 2.895 9.396 1.00 71.25 H new ATOM 0 HB2 LEU A 98 3.187 2.983 10.161 1.00 55.24 H new ATOM 0 HB3 LEU A 98 2.729 2.305 11.711 1.00 55.24 H new ATOM 0 HG LEU A 98 2.008 0.198 10.536 1.00 33.32 H new ATOM 0 HD11 LEU A 98 2.768 -0.234 8.218 1.00 63.52 H new ATOM 0 HD12 LEU A 98 1.554 1.065 8.302 1.00 63.52 H new ATOM 0 HD13 LEU A 98 3.274 1.467 8.078 1.00 63.52 H new ATOM 0 HD21 LEU A 98 4.299 -0.672 10.129 1.00 22.11 H new ATOM 0 HD22 LEU A 98 4.922 0.995 10.147 1.00 22.11 H new ATOM 0 HD23 LEU A 98 4.200 0.300 11.617 1.00 22.11 H new ATOM 1593 N GLU A 99 -0.010 1.934 12.464 1.00 2.10 N ATOM 1594 CA GLU A 99 -0.885 1.069 13.273 1.00 61.53 C ATOM 1595 C GLU A 99 -2.335 1.583 13.297 1.00 54.43 C ATOM 1596 O GLU A 99 -3.274 0.792 13.281 1.00 14.31 O ATOM 1597 CB GLU A 99 -0.330 0.935 14.715 1.00 13.20 C ATOM 1598 CG GLU A 99 1.089 0.344 14.777 1.00 65.12 C ATOM 1599 CD GLU A 99 1.556 0.017 16.203 1.00 11.12 C ATOM 1600 OE1 GLU A 99 1.129 -1.027 16.749 1.00 70.22 O ATOM 1601 OE2 GLU A 99 2.350 0.794 16.788 1.00 32.43 O ATOM 0 H GLU A 99 0.570 2.562 13.020 1.00 2.10 H new ATOM 0 HA GLU A 99 -0.896 0.084 12.806 1.00 61.53 H new ATOM 0 HB2 GLU A 99 -0.326 1.918 15.186 1.00 13.20 H new ATOM 0 HB3 GLU A 99 -1.003 0.305 15.297 1.00 13.20 H new ATOM 0 HG2 GLU A 99 1.122 -0.564 14.175 1.00 65.12 H new ATOM 0 HG3 GLU A 99 1.788 1.050 14.327 1.00 65.12 H new ATOM 1608 N SER A 100 -2.494 2.915 13.302 1.00 61.41 N ATOM 1609 CA SER A 100 -3.810 3.583 13.382 1.00 23.02 C ATOM 1610 C SER A 100 -4.643 3.313 12.114 1.00 42.10 C ATOM 1611 O SER A 100 -5.809 2.888 12.187 1.00 44.52 O ATOM 1612 CB SER A 100 -3.584 5.094 13.575 1.00 72.24 C ATOM 1613 OG SER A 100 -2.812 5.356 14.742 1.00 3.24 O ATOM 0 H SER A 100 -1.711 3.566 13.250 1.00 61.41 H new ATOM 0 HA SER A 100 -4.369 3.184 14.228 1.00 23.02 H new ATOM 0 HB2 SER A 100 -3.076 5.503 12.701 1.00 72.24 H new ATOM 0 HB3 SER A 100 -4.546 5.601 13.651 1.00 72.24 H new ATOM 0 HG SER A 100 -2.683 6.323 14.839 1.00 3.24 H new ATOM 1619 N ALA A 101 -4.000 3.535 10.956 1.00 20.32 N ATOM 1620 CA ALA A 101 -4.579 3.267 9.632 1.00 34.01 C ATOM 1621 C ALA A 101 -4.857 1.766 9.448 1.00 34.41 C ATOM 1622 O ALA A 101 -5.780 1.386 8.733 1.00 44.32 O ATOM 1623 CB ALA A 101 -3.635 3.780 8.535 1.00 54.20 C ATOM 0 H ALA A 101 -3.052 3.910 10.914 1.00 20.32 H new ATOM 0 HA ALA A 101 -5.530 3.795 9.555 1.00 34.01 H new ATOM 0 HB1 ALA A 101 -4.071 3.578 7.556 1.00 54.20 H new ATOM 0 HB2 ALA A 101 -3.490 4.854 8.653 1.00 54.20 H new ATOM 0 HB3 ALA A 101 -2.674 3.273 8.616 1.00 54.20 H new ATOM 1629 N ALA A 102 -4.051 0.930 10.122 1.00 44.30 N ATOM 1630 CA ALA A 102 -4.206 -0.531 10.100 1.00 44.24 C ATOM 1631 C ALA A 102 -5.514 -0.959 10.788 1.00 23.35 C ATOM 1632 O ALA A 102 -6.260 -1.803 10.269 1.00 23.24 O ATOM 1633 CB ALA A 102 -3.011 -1.182 10.786 1.00 24.35 C ATOM 0 H ALA A 102 -3.273 1.250 10.698 1.00 44.30 H new ATOM 0 HA ALA A 102 -4.251 -0.860 9.062 1.00 44.24 H new ATOM 0 HB1 ALA A 102 -3.127 -2.266 10.769 1.00 24.35 H new ATOM 0 HB2 ALA A 102 -2.096 -0.907 10.261 1.00 24.35 H new ATOM 0 HB3 ALA A 102 -2.954 -0.840 11.819 1.00 24.35 H new ATOM 1639 N GLU A 103 -5.782 -0.337 11.956 1.00 2.31 N ATOM 1640 CA GLU A 103 -6.995 -0.603 12.755 1.00 74.21 C ATOM 1641 C GLU A 103 -8.259 -0.185 11.984 1.00 51.44 C ATOM 1642 O GLU A 103 -9.246 -0.916 11.966 1.00 32.52 O ATOM 1643 CB GLU A 103 -6.935 0.123 14.136 1.00 35.23 C ATOM 1644 CG GLU A 103 -5.718 -0.258 15.000 1.00 55.13 C ATOM 1645 CD GLU A 103 -5.755 0.330 16.418 1.00 63.14 C ATOM 1646 OE1 GLU A 103 -6.357 -0.303 17.315 1.00 41.45 O ATOM 1647 OE2 GLU A 103 -5.188 1.421 16.648 1.00 74.11 O ATOM 0 H GLU A 103 -5.165 0.362 12.370 1.00 2.31 H new ATOM 0 HA GLU A 103 -7.040 -1.676 12.940 1.00 74.21 H new ATOM 0 HB2 GLU A 103 -6.923 1.200 13.967 1.00 35.23 H new ATOM 0 HB3 GLU A 103 -7.845 -0.102 14.692 1.00 35.23 H new ATOM 0 HG2 GLU A 103 -5.659 -1.344 15.069 1.00 55.13 H new ATOM 0 HG3 GLU A 103 -4.810 0.080 14.501 1.00 55.13 H new ATOM 1654 N GLN A 104 -8.192 0.993 11.338 1.00 55.42 N ATOM 1655 CA GLN A 104 -9.316 1.565 10.556 1.00 25.05 C ATOM 1656 C GLN A 104 -9.588 0.757 9.266 1.00 21.02 C ATOM 1657 O GLN A 104 -10.742 0.595 8.862 1.00 51.31 O ATOM 1658 CB GLN A 104 -9.015 3.043 10.207 1.00 45.11 C ATOM 1659 CG GLN A 104 -8.809 3.964 11.421 1.00 73.34 C ATOM 1660 CD GLN A 104 -8.388 5.373 11.010 1.00 23.21 C ATOM 1661 OE1 GLN A 104 -9.229 6.235 10.763 1.00 52.41 O ATOM 1662 NE2 GLN A 104 -7.087 5.613 10.929 1.00 72.44 N ATOM 0 H GLN A 104 -7.358 1.580 11.340 1.00 55.42 H new ATOM 0 HA GLN A 104 -10.214 1.511 11.172 1.00 25.05 H new ATOM 0 HB2 GLN A 104 -8.121 3.080 9.585 1.00 45.11 H new ATOM 0 HB3 GLN A 104 -9.837 3.434 9.607 1.00 45.11 H new ATOM 0 HG2 GLN A 104 -9.733 4.016 11.997 1.00 73.34 H new ATOM 0 HG3 GLN A 104 -8.050 3.536 12.075 1.00 73.34 H new ATOM 0 HE21 GLN A 104 -6.418 4.873 11.141 1.00 72.44 H new ATOM 0 HE22 GLN A 104 -6.755 6.538 10.654 1.00 72.44 H new ATOM 1671 N ALA A 105 -8.510 0.260 8.634 1.00 64.51 N ATOM 1672 CA ALA A 105 -8.598 -0.598 7.430 1.00 43.40 C ATOM 1673 C ALA A 105 -9.063 -2.017 7.797 1.00 13.51 C ATOM 1674 O ALA A 105 -9.532 -2.762 6.935 1.00 14.22 O ATOM 1675 CB ALA A 105 -7.240 -0.643 6.717 1.00 63.14 C ATOM 0 H ALA A 105 -7.553 0.439 8.939 1.00 64.51 H new ATOM 0 HA ALA A 105 -9.337 -0.169 6.754 1.00 43.40 H new ATOM 0 HB1 ALA A 105 -7.314 -1.276 5.833 1.00 63.14 H new ATOM 0 HB2 ALA A 105 -6.952 0.365 6.418 1.00 63.14 H new ATOM 0 HB3 ALA A 105 -6.488 -1.050 7.393 1.00 63.14 H new ATOM 1681 N GLY A 106 -8.899 -2.381 9.087 1.00 4.10 N ATOM 1682 CA GLY A 106 -9.345 -3.677 9.601 1.00 51.31 C ATOM 1683 C GLY A 106 -8.392 -4.809 9.240 1.00 43.42 C ATOM 1684 O GLY A 106 -8.812 -5.948 9.051 1.00 44.33 O ATOM 0 H GLY A 106 -8.458 -1.786 9.788 1.00 4.10 H new ATOM 0 HA2 GLY A 106 -9.442 -3.620 10.685 1.00 51.31 H new ATOM 0 HA3 GLY A 106 -10.335 -3.900 9.204 1.00 51.31 H new ATOM 1688 N ILE A 107 -7.100 -4.471 9.131 1.00 51.34 N ATOM 1689 CA ILE A 107 -6.013 -5.430 8.837 1.00 53.15 C ATOM 1690 C ILE A 107 -5.393 -5.918 10.168 1.00 44.31 C ATOM 1691 O ILE A 107 -5.573 -5.267 11.213 1.00 35.31 O ATOM 1692 CB ILE A 107 -4.891 -4.744 7.950 1.00 23.14 C ATOM 1693 CG1 ILE A 107 -5.508 -3.972 6.748 1.00 3.33 C ATOM 1694 CG2 ILE A 107 -3.859 -5.772 7.433 1.00 42.44 C ATOM 1695 CD1 ILE A 107 -4.493 -3.208 5.911 1.00 53.43 C ATOM 0 H ILE A 107 -6.770 -3.512 9.245 1.00 51.34 H new ATOM 0 HA ILE A 107 -6.425 -6.275 8.285 1.00 53.15 H new ATOM 0 HB ILE A 107 -4.376 -4.034 8.597 1.00 23.14 H new ATOM 0 HG12 ILE A 107 -6.032 -4.680 6.106 1.00 3.33 H new ATOM 0 HG13 ILE A 107 -6.253 -3.271 7.125 1.00 3.33 H new ATOM 0 HG21 ILE A 107 -3.108 -5.262 6.830 1.00 42.44 H new ATOM 0 HG22 ILE A 107 -3.375 -6.259 8.280 1.00 42.44 H new ATOM 0 HG23 ILE A 107 -4.365 -6.521 6.824 1.00 42.44 H new ATOM 0 HD11 ILE A 107 -5.005 -2.698 5.095 1.00 53.43 H new ATOM 0 HD12 ILE A 107 -3.985 -2.473 6.536 1.00 53.43 H new ATOM 0 HD13 ILE A 107 -3.761 -3.904 5.502 1.00 53.43 H new ATOM 1707 N VAL A 108 -4.674 -7.065 10.137 1.00 44.10 N ATOM 1708 CA VAL A 108 -3.879 -7.517 11.282 1.00 21.35 C ATOM 1709 C VAL A 108 -2.656 -6.578 11.434 1.00 31.30 C ATOM 1710 O VAL A 108 -1.655 -6.671 10.682 1.00 65.03 O ATOM 1711 CB VAL A 108 -3.431 -9.017 11.158 1.00 71.00 C ATOM 1712 CG1 VAL A 108 -2.737 -9.482 12.457 1.00 20.04 C ATOM 1713 CG2 VAL A 108 -4.627 -9.936 10.795 1.00 62.52 C ATOM 0 H VAL A 108 -4.634 -7.686 9.329 1.00 44.10 H new ATOM 0 HA VAL A 108 -4.502 -7.469 12.175 1.00 21.35 H new ATOM 0 HB VAL A 108 -2.710 -9.090 10.343 1.00 71.00 H new ATOM 0 HG11 VAL A 108 -2.433 -10.524 12.354 1.00 20.04 H new ATOM 0 HG12 VAL A 108 -1.858 -8.864 12.641 1.00 20.04 H new ATOM 0 HG13 VAL A 108 -3.429 -9.387 13.293 1.00 20.04 H new ATOM 0 HG21 VAL A 108 -4.283 -10.967 10.717 1.00 62.52 H new ATOM 0 HG22 VAL A 108 -5.389 -9.866 11.571 1.00 62.52 H new ATOM 0 HG23 VAL A 108 -5.051 -9.622 9.841 1.00 62.52 H new ATOM 1723 N VAL A 109 -2.796 -5.655 12.396 1.00 53.25 N ATOM 1724 CA VAL A 109 -1.872 -4.532 12.617 1.00 74.10 C ATOM 1725 C VAL A 109 -0.423 -5.010 12.820 1.00 61.23 C ATOM 1726 O VAL A 109 0.479 -4.580 12.110 1.00 72.33 O ATOM 1727 CB VAL A 109 -2.318 -3.677 13.866 1.00 3.22 C ATOM 1728 CG1 VAL A 109 -1.359 -2.489 14.114 1.00 5.14 C ATOM 1729 CG2 VAL A 109 -3.781 -3.195 13.720 1.00 22.45 C ATOM 0 H VAL A 109 -3.572 -5.668 13.057 1.00 53.25 H new ATOM 0 HA VAL A 109 -1.907 -3.914 11.720 1.00 74.10 H new ATOM 0 HB VAL A 109 -2.266 -4.325 14.741 1.00 3.22 H new ATOM 0 HG11 VAL A 109 -1.698 -1.923 14.982 1.00 5.14 H new ATOM 0 HG12 VAL A 109 -0.353 -2.866 14.297 1.00 5.14 H new ATOM 0 HG13 VAL A 109 -1.350 -1.840 13.238 1.00 5.14 H new ATOM 0 HG21 VAL A 109 -4.060 -2.609 14.595 1.00 22.45 H new ATOM 0 HG22 VAL A 109 -3.873 -2.579 12.826 1.00 22.45 H new ATOM 0 HG23 VAL A 109 -4.442 -4.058 13.636 1.00 22.45 H new ATOM 1739 N ASP A 110 -0.251 -5.947 13.767 1.00 73.30 N ATOM 1740 CA ASP A 110 1.074 -6.438 14.213 1.00 40.21 C ATOM 1741 C ASP A 110 1.855 -7.074 13.049 1.00 54.43 C ATOM 1742 O ASP A 110 3.070 -6.898 12.947 1.00 60.23 O ATOM 1743 CB ASP A 110 0.908 -7.447 15.393 1.00 22.43 C ATOM 1744 CG ASP A 110 2.246 -7.876 16.044 1.00 2.10 C ATOM 1745 OD1 ASP A 110 2.744 -7.146 16.936 1.00 72.24 O ATOM 1746 OD2 ASP A 110 2.799 -8.939 15.681 1.00 13.12 O ATOM 0 H ASP A 110 -1.031 -6.392 14.252 1.00 73.30 H new ATOM 0 HA ASP A 110 1.652 -5.584 14.567 1.00 40.21 H new ATOM 0 HB2 ASP A 110 0.272 -6.998 16.156 1.00 22.43 H new ATOM 0 HB3 ASP A 110 0.391 -8.335 15.029 1.00 22.43 H new ATOM 1751 N GLU A 111 1.124 -7.752 12.142 1.00 64.11 N ATOM 1752 CA GLU A 111 1.724 -8.406 10.966 1.00 32.21 C ATOM 1753 C GLU A 111 2.239 -7.378 9.939 1.00 24.32 C ATOM 1754 O GLU A 111 3.330 -7.570 9.372 1.00 63.23 O ATOM 1755 CB GLU A 111 0.731 -9.373 10.295 1.00 74.43 C ATOM 1756 CG GLU A 111 0.340 -10.596 11.144 1.00 44.52 C ATOM 1757 CD GLU A 111 1.517 -11.519 11.498 1.00 15.01 C ATOM 1758 OE1 GLU A 111 2.035 -12.206 10.581 1.00 31.15 O ATOM 1759 OE2 GLU A 111 1.919 -11.572 12.686 1.00 3.52 O ATOM 0 H GLU A 111 0.112 -7.860 12.204 1.00 64.11 H new ATOM 0 HA GLU A 111 2.578 -8.980 11.327 1.00 32.21 H new ATOM 0 HB2 GLU A 111 -0.174 -8.822 10.041 1.00 74.43 H new ATOM 0 HB3 GLU A 111 1.165 -9.723 9.358 1.00 74.43 H new ATOM 0 HG2 GLU A 111 -0.126 -10.250 12.067 1.00 44.52 H new ATOM 0 HG3 GLU A 111 -0.411 -11.174 10.605 1.00 44.52 H new ATOM 1766 N LEU A 112 1.459 -6.296 9.670 1.00 22.30 N ATOM 1767 CA LEU A 112 1.943 -5.239 8.740 1.00 0.03 C ATOM 1768 C LEU A 112 3.050 -4.376 9.372 1.00 71.41 C ATOM 1769 O LEU A 112 3.891 -3.830 8.659 1.00 73.54 O ATOM 1770 CB LEU A 112 0.794 -4.379 8.131 1.00 52.14 C ATOM 1771 CG LEU A 112 -0.169 -3.591 9.090 1.00 51.21 C ATOM 1772 CD1 LEU A 112 0.474 -2.329 9.725 1.00 0.51 C ATOM 1773 CD2 LEU A 112 -1.469 -3.216 8.356 1.00 41.02 C ATOM 0 H LEU A 112 0.532 -6.135 10.064 1.00 22.30 H new ATOM 0 HA LEU A 112 2.391 -5.765 7.897 1.00 0.03 H new ATOM 0 HB2 LEU A 112 1.250 -3.654 7.457 1.00 52.14 H new ATOM 0 HB3 LEU A 112 0.179 -5.040 7.520 1.00 52.14 H new ATOM 0 HG LEU A 112 -0.391 -4.267 9.916 1.00 51.21 H new ATOM 0 HD11 LEU A 112 -0.251 -1.838 10.374 1.00 0.51 H new ATOM 0 HD12 LEU A 112 1.346 -2.620 10.311 1.00 0.51 H new ATOM 0 HD13 LEU A 112 0.780 -1.641 8.937 1.00 0.51 H new ATOM 0 HD21 LEU A 112 -2.125 -2.671 9.034 1.00 41.02 H new ATOM 0 HD22 LEU A 112 -1.233 -2.589 7.496 1.00 41.02 H new ATOM 0 HD23 LEU A 112 -1.970 -4.123 8.017 1.00 41.02 H new ATOM 1785 N VAL A 113 3.044 -4.257 10.715 1.00 43.03 N ATOM 1786 CA VAL A 113 4.139 -3.601 11.458 1.00 63.02 C ATOM 1787 C VAL A 113 5.437 -4.390 11.246 1.00 42.33 C ATOM 1788 O VAL A 113 6.487 -3.801 11.001 1.00 42.14 O ATOM 1789 CB VAL A 113 3.817 -3.445 12.998 1.00 32.50 C ATOM 1790 CG1 VAL A 113 5.034 -2.922 13.811 1.00 71.15 C ATOM 1791 CG2 VAL A 113 2.595 -2.521 13.198 1.00 43.53 C ATOM 0 H VAL A 113 2.292 -4.607 11.308 1.00 43.03 H new ATOM 0 HA VAL A 113 4.255 -2.590 11.067 1.00 63.02 H new ATOM 0 HB VAL A 113 3.584 -4.439 13.380 1.00 32.50 H new ATOM 0 HG11 VAL A 113 4.758 -2.833 14.862 1.00 71.15 H new ATOM 0 HG12 VAL A 113 5.865 -3.620 13.711 1.00 71.15 H new ATOM 0 HG13 VAL A 113 5.333 -1.945 13.431 1.00 71.15 H new ATOM 0 HG21 VAL A 113 2.384 -2.422 14.263 1.00 43.53 H new ATOM 0 HG22 VAL A 113 2.809 -1.538 12.778 1.00 43.53 H new ATOM 0 HG23 VAL A 113 1.728 -2.950 12.695 1.00 43.53 H new ATOM 1801 N GLN A 114 5.315 -5.733 11.271 1.00 22.51 N ATOM 1802 CA GLN A 114 6.436 -6.651 11.013 1.00 11.24 C ATOM 1803 C GLN A 114 7.012 -6.425 9.606 1.00 61.23 C ATOM 1804 O GLN A 114 8.204 -6.170 9.470 1.00 1.33 O ATOM 1805 CB GLN A 114 5.995 -8.134 11.184 1.00 51.22 C ATOM 1806 CG GLN A 114 5.736 -8.563 12.641 1.00 54.24 C ATOM 1807 CD GLN A 114 7.019 -8.704 13.458 1.00 12.21 C ATOM 1808 OE1 GLN A 114 7.602 -9.779 13.520 1.00 72.05 O ATOM 1809 NE2 GLN A 114 7.466 -7.628 14.088 1.00 51.14 N ATOM 0 H GLN A 114 4.435 -6.209 11.471 1.00 22.51 H new ATOM 0 HA GLN A 114 7.215 -6.440 11.745 1.00 11.24 H new ATOM 0 HB2 GLN A 114 5.087 -8.298 10.604 1.00 51.22 H new ATOM 0 HB3 GLN A 114 6.765 -8.779 10.761 1.00 51.22 H new ATOM 0 HG2 GLN A 114 5.086 -7.831 13.119 1.00 54.24 H new ATOM 0 HG3 GLN A 114 5.203 -9.514 12.645 1.00 54.24 H new ATOM 0 HE21 GLN A 114 6.957 -6.747 14.016 1.00 51.14 H new ATOM 0 HE22 GLN A 114 8.319 -7.681 14.645 1.00 51.14 H new ATOM 1818 N THR A 115 6.143 -6.467 8.571 1.00 22.14 N ATOM 1819 CA THR A 115 6.603 -6.399 7.168 1.00 52.22 C ATOM 1820 C THR A 115 7.266 -5.042 6.845 1.00 70.11 C ATOM 1821 O THR A 115 8.266 -5.014 6.146 1.00 11.31 O ATOM 1822 CB THR A 115 5.477 -6.721 6.117 1.00 41.04 C ATOM 1823 OG1 THR A 115 6.071 -6.944 4.827 1.00 55.44 O ATOM 1824 CG2 THR A 115 4.429 -5.605 5.988 1.00 3.43 C ATOM 0 H THR A 115 5.132 -6.547 8.679 1.00 22.14 H new ATOM 0 HA THR A 115 7.352 -7.186 7.078 1.00 52.22 H new ATOM 0 HB THR A 115 4.964 -7.613 6.477 1.00 41.04 H new ATOM 0 HG1 THR A 115 5.845 -6.201 4.230 1.00 55.44 H new ATOM 0 HG21 THR A 115 3.682 -5.891 5.247 1.00 3.43 H new ATOM 0 HG22 THR A 115 3.943 -5.449 6.951 1.00 3.43 H new ATOM 0 HG23 THR A 115 4.917 -4.682 5.674 1.00 3.43 H new ATOM 1832 N VAL A 116 6.723 -3.937 7.404 1.00 23.44 N ATOM 1833 CA VAL A 116 7.226 -2.570 7.138 1.00 32.24 C ATOM 1834 C VAL A 116 8.556 -2.311 7.876 1.00 43.51 C ATOM 1835 O VAL A 116 9.467 -1.717 7.301 1.00 44.24 O ATOM 1836 CB VAL A 116 6.138 -1.473 7.495 1.00 72.34 C ATOM 1837 CG1 VAL A 116 6.693 -0.021 7.407 1.00 15.24 C ATOM 1838 CG2 VAL A 116 4.887 -1.631 6.589 1.00 2.45 C ATOM 0 H VAL A 116 5.931 -3.966 8.046 1.00 23.44 H new ATOM 0 HA VAL A 116 7.424 -2.493 6.069 1.00 32.24 H new ATOM 0 HB VAL A 116 5.854 -1.640 8.534 1.00 72.34 H new ATOM 0 HG11 VAL A 116 5.904 0.686 7.662 1.00 15.24 H new ATOM 0 HG12 VAL A 116 7.523 0.094 8.104 1.00 15.24 H new ATOM 0 HG13 VAL A 116 7.042 0.174 6.393 1.00 15.24 H new ATOM 0 HG21 VAL A 116 4.151 -0.870 6.849 1.00 2.45 H new ATOM 0 HG22 VAL A 116 5.177 -1.514 5.545 1.00 2.45 H new ATOM 0 HG23 VAL A 116 4.453 -2.620 6.737 1.00 2.45 H new ATOM 1848 N LYS A 117 8.687 -2.792 9.131 1.00 40.53 N ATOM 1849 CA LYS A 117 9.918 -2.567 9.934 1.00 11.32 C ATOM 1850 C LYS A 117 11.081 -3.453 9.423 1.00 41.01 C ATOM 1851 O LYS A 117 12.252 -3.044 9.458 1.00 52.02 O ATOM 1852 CB LYS A 117 9.657 -2.802 11.449 1.00 60.20 C ATOM 1853 CG LYS A 117 9.450 -4.276 11.880 1.00 0.05 C ATOM 1854 CD LYS A 117 9.008 -4.416 13.359 1.00 43.54 C ATOM 1855 CE LYS A 117 10.017 -3.814 14.352 1.00 62.55 C ATOM 1856 NZ LYS A 117 9.530 -3.899 15.760 1.00 72.23 N ATOM 0 H LYS A 117 7.967 -3.333 9.610 1.00 40.53 H new ATOM 0 HA LYS A 117 10.210 -1.524 9.810 1.00 11.32 H new ATOM 0 HB2 LYS A 117 10.498 -2.394 12.010 1.00 60.20 H new ATOM 0 HB3 LYS A 117 8.774 -2.232 11.738 1.00 60.20 H new ATOM 0 HG2 LYS A 117 8.699 -4.735 11.237 1.00 0.05 H new ATOM 0 HG3 LYS A 117 10.378 -4.827 11.730 1.00 0.05 H new ATOM 0 HD2 LYS A 117 8.043 -3.928 13.491 1.00 43.54 H new ATOM 0 HD3 LYS A 117 8.865 -5.472 13.591 1.00 43.54 H new ATOM 0 HE2 LYS A 117 10.969 -4.338 14.265 1.00 62.55 H new ATOM 0 HE3 LYS A 117 10.202 -2.771 14.094 1.00 62.55 H new ATOM 0 HZ1 LYS A 117 10.238 -3.483 16.398 1.00 72.23 H new ATOM 0 HZ2 LYS A 117 8.634 -3.378 15.850 1.00 72.23 H new ATOM 0 HZ3 LYS A 117 9.377 -4.896 16.015 1.00 72.23 H new ATOM 1870 N ASN A 118 10.730 -4.670 8.938 1.00 3.32 N ATOM 1871 CA ASN A 118 11.684 -5.590 8.275 1.00 14.34 C ATOM 1872 C ASN A 118 12.128 -4.976 6.954 1.00 0.03 C ATOM 1873 O ASN A 118 13.327 -4.931 6.661 1.00 65.51 O ATOM 1874 CB ASN A 118 11.060 -7.004 8.025 1.00 52.24 C ATOM 1875 CG ASN A 118 10.828 -7.804 9.313 1.00 71.44 C ATOM 1876 OD1 ASN A 118 11.575 -7.679 10.281 1.00 20.03 O ATOM 1877 ND2 ASN A 118 9.795 -8.636 9.334 1.00 75.41 N ATOM 0 H ASN A 118 9.781 -5.039 8.996 1.00 3.32 H new ATOM 0 HA ASN A 118 12.540 -5.728 8.936 1.00 14.34 H new ATOM 0 HB2 ASN A 118 10.110 -6.887 7.503 1.00 52.24 H new ATOM 0 HB3 ASN A 118 11.718 -7.572 7.367 1.00 52.24 H new ATOM 0 HD21 ASN A 118 9.605 -9.192 10.168 1.00 75.41 H new ATOM 0 HD22 ASN A 118 9.191 -8.720 8.516 1.00 75.41 H new ATOM 1884 N TYR A 119 11.125 -4.461 6.201 1.00 32.03 N ATOM 1885 CA TYR A 119 11.311 -3.823 4.884 1.00 70.44 C ATOM 1886 C TYR A 119 12.368 -2.728 4.989 1.00 24.23 C ATOM 1887 O TYR A 119 13.440 -2.856 4.411 1.00 50.12 O ATOM 1888 CB TYR A 119 9.962 -3.250 4.357 1.00 70.43 C ATOM 1889 CG TYR A 119 9.990 -2.627 2.953 1.00 54.31 C ATOM 1890 CD1 TYR A 119 10.305 -3.392 1.827 1.00 71.04 C ATOM 1891 CD2 TYR A 119 9.669 -1.282 2.755 1.00 4.32 C ATOM 1892 CE1 TYR A 119 10.301 -2.835 0.562 1.00 3.12 C ATOM 1893 CE2 TYR A 119 9.669 -0.726 1.495 1.00 32.24 C ATOM 1894 CZ TYR A 119 9.984 -1.505 0.400 1.00 63.01 C ATOM 1895 OH TYR A 119 9.967 -0.949 -0.865 1.00 65.33 O ATOM 0 H TYR A 119 10.150 -4.480 6.501 1.00 32.03 H new ATOM 0 HA TYR A 119 11.654 -4.572 4.170 1.00 70.44 H new ATOM 0 HB2 TYR A 119 9.225 -4.053 4.361 1.00 70.43 H new ATOM 0 HB3 TYR A 119 9.613 -2.494 5.060 1.00 70.43 H new ATOM 0 HD1 TYR A 119 10.556 -4.436 1.947 1.00 71.04 H new ATOM 0 HD2 TYR A 119 9.416 -0.667 3.606 1.00 4.32 H new ATOM 0 HE1 TYR A 119 10.546 -3.442 -0.297 1.00 3.12 H new ATOM 0 HE2 TYR A 119 9.423 0.317 1.364 1.00 32.24 H new ATOM 0 HH TYR A 119 10.266 -0.017 -0.817 1.00 65.33 H new ATOM 1905 N GLN A 120 12.090 -1.738 5.856 1.00 25.34 N ATOM 1906 CA GLN A 120 12.962 -0.572 6.069 1.00 63.23 C ATOM 1907 C GLN A 120 14.372 -0.984 6.550 1.00 13.13 C ATOM 1908 O GLN A 120 15.363 -0.345 6.177 1.00 51.44 O ATOM 1909 CB GLN A 120 12.308 0.416 7.073 1.00 3.42 C ATOM 1910 CG GLN A 120 10.955 0.999 6.598 1.00 31.41 C ATOM 1911 CD GLN A 120 10.404 2.113 7.498 1.00 50.02 C ATOM 1912 OE1 GLN A 120 10.620 2.123 8.710 1.00 1.42 O ATOM 1913 NE2 GLN A 120 9.693 3.067 6.907 1.00 33.01 N ATOM 0 H GLN A 120 11.248 -1.726 6.432 1.00 25.34 H new ATOM 0 HA GLN A 120 13.082 -0.072 5.108 1.00 63.23 H new ATOM 0 HB2 GLN A 120 12.157 -0.096 8.023 1.00 3.42 H new ATOM 0 HB3 GLN A 120 12.999 1.238 7.260 1.00 3.42 H new ATOM 0 HG2 GLN A 120 11.074 1.389 5.587 1.00 31.41 H new ATOM 0 HG3 GLN A 120 10.223 0.193 6.545 1.00 31.41 H new ATOM 0 HE21 GLN A 120 9.530 3.032 5.901 1.00 33.01 H new ATOM 0 HE22 GLN A 120 9.310 3.834 7.460 1.00 33.01 H new ATOM 1922 N GLY A 121 14.434 -2.083 7.331 1.00 74.20 N ATOM 1923 CA GLY A 121 15.697 -2.651 7.807 1.00 13.52 C ATOM 1924 C GLY A 121 16.588 -3.177 6.677 1.00 52.42 C ATOM 1925 O GLY A 121 17.760 -2.790 6.578 1.00 53.14 O ATOM 0 H GLY A 121 13.609 -2.594 7.644 1.00 74.20 H new ATOM 0 HA2 GLY A 121 16.242 -1.890 8.366 1.00 13.52 H new ATOM 0 HA3 GLY A 121 15.483 -3.464 8.501 1.00 13.52 H new ATOM 1929 N TYR A 122 16.022 -4.032 5.787 1.00 45.10 N ATOM 1930 CA TYR A 122 16.805 -4.680 4.706 1.00 34.54 C ATOM 1931 C TYR A 122 16.982 -3.764 3.472 1.00 12.14 C ATOM 1932 O TYR A 122 17.877 -4.001 2.645 1.00 24.40 O ATOM 1933 CB TYR A 122 16.244 -6.088 4.326 1.00 72.14 C ATOM 1934 CG TYR A 122 14.844 -6.185 3.655 1.00 43.01 C ATOM 1935 CD1 TYR A 122 14.620 -5.775 2.329 1.00 22.52 C ATOM 1936 CD2 TYR A 122 13.766 -6.772 4.325 1.00 70.34 C ATOM 1937 CE1 TYR A 122 13.381 -5.927 1.729 1.00 52.35 C ATOM 1938 CE2 TYR A 122 12.538 -6.939 3.719 1.00 34.31 C ATOM 1939 CZ TYR A 122 12.349 -6.516 2.429 1.00 1.21 C ATOM 1940 OH TYR A 122 11.128 -6.711 1.827 1.00 23.45 O ATOM 0 H TYR A 122 15.034 -4.286 5.797 1.00 45.10 H new ATOM 0 HA TYR A 122 17.804 -4.845 5.110 1.00 34.54 H new ATOM 0 HB2 TYR A 122 16.963 -6.559 3.656 1.00 72.14 H new ATOM 0 HB3 TYR A 122 16.215 -6.688 5.236 1.00 72.14 H new ATOM 0 HD1 TYR A 122 15.430 -5.333 1.767 1.00 22.52 H new ATOM 0 HD2 TYR A 122 13.898 -7.104 5.344 1.00 70.34 H new ATOM 0 HE1 TYR A 122 13.224 -5.585 0.717 1.00 52.35 H new ATOM 0 HE2 TYR A 122 11.727 -7.402 4.260 1.00 34.31 H new ATOM 0 HH TYR A 122 10.515 -7.139 2.461 1.00 23.45 H new ATOM 1950 N VAL A 123 16.124 -2.729 3.358 1.00 71.15 N ATOM 1951 CA VAL A 123 16.211 -1.705 2.293 1.00 13.02 C ATOM 1952 C VAL A 123 17.536 -0.921 2.399 1.00 54.33 C ATOM 1953 O VAL A 123 18.306 -0.848 1.431 1.00 10.44 O ATOM 1954 CB VAL A 123 14.972 -0.710 2.326 1.00 61.52 C ATOM 1955 CG1 VAL A 123 15.256 0.606 1.562 1.00 52.33 C ATOM 1956 CG2 VAL A 123 13.705 -1.388 1.747 1.00 44.35 C ATOM 0 H VAL A 123 15.349 -2.578 4.003 1.00 71.15 H new ATOM 0 HA VAL A 123 16.187 -2.228 1.337 1.00 13.02 H new ATOM 0 HB VAL A 123 14.801 -0.458 3.373 1.00 61.52 H new ATOM 0 HG11 VAL A 123 14.380 1.253 1.613 1.00 52.33 H new ATOM 0 HG12 VAL A 123 16.108 1.113 2.015 1.00 52.33 H new ATOM 0 HG13 VAL A 123 15.480 0.380 0.519 1.00 52.33 H new ATOM 0 HG21 VAL A 123 12.870 -0.688 1.780 1.00 44.35 H new ATOM 0 HG22 VAL A 123 13.890 -1.683 0.714 1.00 44.35 H new ATOM 0 HG23 VAL A 123 13.462 -2.270 2.339 1.00 44.35 H new ATOM 1966 N GLN A 124 17.788 -0.356 3.593 1.00 55.22 N ATOM 1967 CA GLN A 124 19.008 0.443 3.863 1.00 4.23 C ATOM 1968 C GLN A 124 20.248 -0.462 4.030 1.00 51.33 C ATOM 1969 O GLN A 124 21.386 0.006 3.914 1.00 72.25 O ATOM 1970 CB GLN A 124 18.790 1.349 5.106 1.00 4.12 C ATOM 1971 CG GLN A 124 18.398 0.604 6.393 1.00 24.33 C ATOM 1972 CD GLN A 124 17.863 1.518 7.502 1.00 63.13 C ATOM 1973 OE1 GLN A 124 18.238 2.685 7.603 1.00 71.00 O ATOM 1974 NE2 GLN A 124 16.986 0.996 8.345 1.00 32.13 N ATOM 0 H GLN A 124 17.162 -0.436 4.394 1.00 55.22 H new ATOM 0 HA GLN A 124 19.197 1.085 3.003 1.00 4.23 H new ATOM 0 HB2 GLN A 124 19.706 1.910 5.293 1.00 4.12 H new ATOM 0 HB3 GLN A 124 18.012 2.077 4.874 1.00 4.12 H new ATOM 0 HG2 GLN A 124 17.640 -0.142 6.153 1.00 24.33 H new ATOM 0 HG3 GLN A 124 19.268 0.065 6.768 1.00 24.33 H new ATOM 0 HE21 GLN A 124 16.692 0.025 8.239 1.00 32.13 H new ATOM 0 HE22 GLN A 124 16.604 1.565 9.101 1.00 32.13 H new ATOM 1983 N ASP A 125 20.006 -1.758 4.297 1.00 63.04 N ATOM 1984 CA ASP A 125 21.061 -2.787 4.342 1.00 41.13 C ATOM 1985 C ASP A 125 21.506 -3.166 2.907 1.00 23.10 C ATOM 1986 O ASP A 125 22.655 -3.564 2.692 1.00 12.24 O ATOM 1987 CB ASP A 125 20.524 -4.031 5.100 1.00 61.40 C ATOM 1988 CG ASP A 125 21.518 -5.202 5.177 1.00 42.11 C ATOM 1989 OD1 ASP A 125 22.505 -5.106 5.933 1.00 3.15 O ATOM 1990 OD2 ASP A 125 21.313 -6.223 4.490 1.00 13.12 O ATOM 0 H ASP A 125 19.072 -2.122 4.488 1.00 63.04 H new ATOM 0 HA ASP A 125 21.931 -2.396 4.869 1.00 41.13 H new ATOM 0 HB2 ASP A 125 20.250 -3.735 6.113 1.00 61.40 H new ATOM 0 HB3 ASP A 125 19.613 -4.375 4.611 1.00 61.40 H new ATOM 1995 N GLY A 126 20.594 -2.986 1.925 1.00 72.21 N ATOM 1996 CA GLY A 126 20.876 -3.275 0.518 1.00 34.34 C ATOM 1997 C GLY A 126 20.407 -4.660 0.084 1.00 42.51 C ATOM 1998 O GLY A 126 20.110 -4.872 -1.096 1.00 31.34 O ATOM 0 H GLY A 126 19.650 -2.638 2.093 1.00 72.21 H new ATOM 0 HA2 GLY A 126 20.392 -2.523 -0.105 1.00 34.34 H new ATOM 0 HA3 GLY A 126 21.949 -3.191 0.344 1.00 34.34 H new ATOM 2002 N HIS A 127 20.343 -5.618 1.030 1.00 43.20 N ATOM 2003 CA HIS A 127 19.941 -6.998 0.721 1.00 42.44 C ATOM 2004 C HIS A 127 18.413 -7.086 0.629 1.00 72.24 C ATOM 2005 O HIS A 127 17.715 -6.926 1.632 1.00 70.15 O ATOM 2006 CB HIS A 127 20.480 -7.992 1.781 1.00 51.12 C ATOM 2007 CG HIS A 127 20.198 -9.444 1.461 1.00 52.51 C ATOM 2008 ND1 HIS A 127 20.982 -10.183 0.607 1.00 34.42 N ATOM 2009 CD2 HIS A 127 19.215 -10.285 1.876 1.00 42.14 C ATOM 2010 CE1 HIS A 127 20.501 -11.405 0.509 1.00 32.33 C ATOM 2011 NE2 HIS A 127 19.428 -11.491 1.265 1.00 61.20 N ATOM 0 H HIS A 127 20.565 -5.458 2.013 1.00 43.20 H new ATOM 0 HA HIS A 127 20.374 -7.275 -0.240 1.00 42.44 H new ATOM 0 HB2 HIS A 127 21.557 -7.854 1.879 1.00 51.12 H new ATOM 0 HB3 HIS A 127 20.039 -7.751 2.748 1.00 51.12 H new ATOM 0 HD2 HIS A 127 18.415 -10.046 2.561 1.00 42.14 H new ATOM 0 HE1 HIS A 127 20.917 -12.201 -0.090 1.00 32.33 H new ATOM 0 HE2 HIS A 127 18.848 -12.323 1.378 1.00 61.20 H new ATOM 2020 N ASP A 128 17.911 -7.348 -0.581 1.00 62.42 N ATOM 2021 CA ASP A 128 16.475 -7.501 -0.847 1.00 35.42 C ATOM 2022 C ASP A 128 15.938 -8.804 -0.248 1.00 60.42 C ATOM 2023 O ASP A 128 16.682 -9.779 -0.075 1.00 53.03 O ATOM 2024 CB ASP A 128 16.211 -7.487 -2.373 1.00 73.03 C ATOM 2025 CG ASP A 128 16.843 -8.688 -3.103 1.00 15.31 C ATOM 2026 OD1 ASP A 128 18.065 -8.666 -3.370 1.00 2.14 O ATOM 2027 OD2 ASP A 128 16.121 -9.657 -3.401 1.00 23.12 O ATOM 0 H ASP A 128 18.493 -7.461 -1.411 1.00 62.42 H new ATOM 0 HA ASP A 128 15.957 -6.664 -0.379 1.00 35.42 H new ATOM 0 HB2 ASP A 128 15.136 -7.486 -2.550 1.00 73.03 H new ATOM 0 HB3 ASP A 128 16.605 -6.563 -2.796 1.00 73.03 H new ATOM 2032 N HIS A 129 14.641 -8.809 0.071 1.00 70.02 N ATOM 2033 CA HIS A 129 13.914 -10.016 0.467 1.00 64.43 C ATOM 2034 C HIS A 129 12.699 -10.116 -0.444 1.00 3.15 C ATOM 2035 O HIS A 129 12.731 -10.917 -1.375 1.00 70.40 O ATOM 2036 CB HIS A 129 13.507 -9.998 1.968 1.00 54.30 C ATOM 2037 CG HIS A 129 14.633 -10.210 2.963 1.00 53.13 C ATOM 2038 ND1 HIS A 129 14.574 -11.151 3.973 1.00 62.15 N ATOM 2039 CD2 HIS A 129 15.821 -9.576 3.133 1.00 42.42 C ATOM 2040 CE1 HIS A 129 15.664 -11.080 4.710 1.00 71.23 C ATOM 2041 NE2 HIS A 129 16.434 -10.140 4.220 1.00 43.41 N ATOM 0 H HIS A 129 14.063 -7.969 0.061 1.00 70.02 H new ATOM 0 HA HIS A 129 14.554 -10.892 0.358 1.00 64.43 H new ATOM 0 HB2 HIS A 129 13.033 -9.041 2.184 1.00 54.30 H new ATOM 0 HB3 HIS A 129 12.755 -10.770 2.130 1.00 54.30 H new ATOM 0 HD2 HIS A 129 16.211 -8.774 2.523 1.00 42.42 H new ATOM 0 HE1 HIS A 129 15.885 -11.693 5.572 1.00 71.23 H new ATOM 0 HE2 HIS A 129 17.346 -9.871 4.590 1.00 43.41 H new ATOM 2050 N ASP A 130 11.693 -9.225 -0.183 1.00 15.11 N ATOM 2051 CA ASP A 130 10.373 -9.138 -0.879 1.00 42.05 C ATOM 2052 C ASP A 130 9.943 -10.470 -1.538 1.00 71.24 C ATOM 2053 O ASP A 130 9.315 -11.322 -0.899 1.00 21.25 O ATOM 2054 CB ASP A 130 10.364 -7.965 -1.907 1.00 35.51 C ATOM 2055 CG ASP A 130 10.680 -6.598 -1.299 1.00 61.33 C ATOM 2056 OD1 ASP A 130 9.751 -5.928 -0.805 1.00 20.25 O ATOM 2057 OD2 ASP A 130 11.857 -6.179 -1.338 1.00 42.33 O ATOM 0 H ASP A 130 11.786 -8.520 0.548 1.00 15.11 H new ATOM 0 HA ASP A 130 9.629 -8.930 -0.110 1.00 42.05 H new ATOM 0 HB2 ASP A 130 11.090 -8.178 -2.691 1.00 35.51 H new ATOM 0 HB3 ASP A 130 9.384 -7.921 -2.383 1.00 35.51 H new ATOM 2062 N PHE A 131 10.378 -10.641 -2.806 1.00 32.51 N ATOM 2063 CA PHE A 131 10.261 -11.882 -3.587 1.00 62.52 C ATOM 2064 C PHE A 131 11.512 -12.052 -4.464 1.00 52.25 C ATOM 2065 O PHE A 131 11.538 -12.911 -5.339 1.00 75.11 O ATOM 2066 CB PHE A 131 8.962 -11.875 -4.442 1.00 40.25 C ATOM 2067 CG PHE A 131 7.690 -11.819 -3.592 1.00 1.42 C ATOM 2068 CD1 PHE A 131 7.271 -12.936 -2.870 1.00 35.11 C ATOM 2069 CD2 PHE A 131 6.955 -10.637 -3.465 1.00 12.35 C ATOM 2070 CE1 PHE A 131 6.156 -12.878 -2.053 1.00 31.05 C ATOM 2071 CE2 PHE A 131 5.843 -10.587 -2.655 1.00 53.15 C ATOM 2072 CZ PHE A 131 5.446 -11.708 -1.950 1.00 23.42 C ATOM 0 H PHE A 131 10.834 -9.892 -3.326 1.00 32.51 H new ATOM 0 HA PHE A 131 10.194 -12.732 -2.908 1.00 62.52 H new ATOM 0 HB2 PHE A 131 8.981 -11.018 -5.116 1.00 40.25 H new ATOM 0 HB3 PHE A 131 8.938 -12.769 -5.065 1.00 40.25 H new ATOM 0 HD1 PHE A 131 7.825 -13.860 -2.950 1.00 35.11 H new ATOM 0 HD2 PHE A 131 7.262 -9.755 -4.007 1.00 12.35 H new ATOM 0 HE1 PHE A 131 5.845 -13.751 -1.498 1.00 31.05 H new ATOM 0 HE2 PHE A 131 5.279 -9.670 -2.570 1.00 53.15 H new ATOM 0 HZ PHE A 131 4.573 -11.663 -1.315 1.00 23.42 H new ATOM 2082 N GLY A 132 12.557 -11.234 -4.200 1.00 74.23 N ATOM 2083 CA GLY A 132 13.774 -11.229 -5.000 1.00 43.05 C ATOM 2084 C GLY A 132 13.721 -10.184 -6.106 1.00 50.15 C ATOM 2085 O GLY A 132 12.999 -10.370 -7.092 1.00 52.12 O ATOM 0 H GLY A 132 12.567 -10.568 -3.428 1.00 74.23 H new ATOM 0 HA2 GLY A 132 14.631 -11.033 -4.356 1.00 43.05 H new ATOM 0 HA3 GLY A 132 13.924 -12.215 -5.439 1.00 43.05 H new ATOM 2089 N ARG A 133 14.439 -9.062 -5.909 1.00 74.12 N ATOM 2090 CA ARG A 133 14.520 -7.960 -6.885 1.00 74.33 C ATOM 2091 C ARG A 133 15.844 -7.195 -6.728 1.00 33.55 C ATOM 2092 O ARG A 133 16.719 -7.601 -5.967 1.00 1.35 O ATOM 2093 CB ARG A 133 13.310 -6.981 -6.749 1.00 4.31 C ATOM 2094 CG ARG A 133 13.073 -6.354 -5.341 1.00 15.22 C ATOM 2095 CD ARG A 133 12.015 -5.233 -5.400 1.00 11.23 C ATOM 2096 NE ARG A 133 11.531 -4.774 -4.085 1.00 53.31 N ATOM 2097 CZ ARG A 133 10.484 -3.936 -3.910 1.00 30.33 C ATOM 2098 NH1 ARG A 133 9.803 -3.454 -4.959 1.00 53.44 N ATOM 2099 NH2 ARG A 133 10.084 -3.628 -2.688 1.00 14.01 N ATOM 0 H ARG A 133 14.983 -8.894 -5.062 1.00 74.12 H new ATOM 0 HA ARG A 133 14.483 -8.401 -7.881 1.00 74.33 H new ATOM 0 HB2 ARG A 133 13.446 -6.170 -7.464 1.00 4.31 H new ATOM 0 HB3 ARG A 133 12.406 -7.515 -7.041 1.00 4.31 H new ATOM 0 HG2 ARG A 133 12.748 -7.128 -4.645 1.00 15.22 H new ATOM 0 HG3 ARG A 133 14.011 -5.953 -4.956 1.00 15.22 H new ATOM 0 HD2 ARG A 133 12.437 -4.382 -5.934 1.00 11.23 H new ATOM 0 HD3 ARG A 133 11.164 -5.585 -5.983 1.00 11.23 H new ATOM 0 HE ARG A 133 12.017 -5.110 -3.254 1.00 53.31 H new ATOM 0 HH11 ARG A 133 10.072 -3.718 -5.907 1.00 53.44 H new ATOM 0 HH12 ARG A 133 9.016 -2.823 -4.810 1.00 53.44 H new ATOM 0 HH21 ARG A 133 10.565 -4.022 -1.879 1.00 14.01 H new ATOM 0 HH22 ARG A 133 9.295 -2.996 -2.554 1.00 14.01 H new ATOM 2113 N ASP A 134 15.992 -6.106 -7.494 1.00 13.50 N ATOM 2114 CA ASP A 134 17.156 -5.209 -7.400 1.00 30.24 C ATOM 2115 C ASP A 134 17.049 -4.282 -6.157 1.00 32.25 C ATOM 2116 O ASP A 134 15.941 -3.828 -5.827 1.00 51.43 O ATOM 2117 CB ASP A 134 17.267 -4.347 -8.677 1.00 74.23 C ATOM 2118 CG ASP A 134 17.484 -5.163 -9.955 1.00 32.00 C ATOM 2119 OD1 ASP A 134 16.516 -5.801 -10.432 1.00 45.35 O ATOM 2120 OD2 ASP A 134 18.615 -5.164 -10.495 1.00 21.41 O ATOM 0 H ASP A 134 15.310 -5.820 -8.196 1.00 13.50 H new ATOM 0 HA ASP A 134 18.048 -5.827 -7.297 1.00 30.24 H new ATOM 0 HB2 ASP A 134 16.358 -3.755 -8.785 1.00 74.23 H new ATOM 0 HB3 ASP A 134 18.093 -3.645 -8.560 1.00 74.23 H new ATOM 2125 N PRO A 135 18.208 -3.969 -5.469 1.00 61.22 N ATOM 2126 CA PRO A 135 18.252 -3.002 -4.336 1.00 2.23 C ATOM 2127 C PRO A 135 17.890 -1.554 -4.747 1.00 1.33 C ATOM 2128 O PRO A 135 17.655 -0.700 -3.885 1.00 34.40 O ATOM 2129 CB PRO A 135 19.716 -3.101 -3.820 1.00 35.12 C ATOM 2130 CG PRO A 135 20.500 -3.657 -4.971 1.00 44.33 C ATOM 2131 CD PRO A 135 19.550 -4.573 -5.706 1.00 24.14 C ATOM 0 HA PRO A 135 17.510 -3.246 -3.576 1.00 2.23 H new ATOM 0 HB2 PRO A 135 20.095 -2.124 -3.520 1.00 35.12 H new ATOM 0 HB3 PRO A 135 19.783 -3.750 -2.947 1.00 35.12 H new ATOM 0 HG2 PRO A 135 20.858 -2.860 -5.622 1.00 44.33 H new ATOM 0 HG3 PRO A 135 21.377 -4.201 -4.621 1.00 44.33 H new ATOM 0 HD2 PRO A 135 19.784 -4.620 -6.770 1.00 24.14 H new ATOM 0 HD3 PRO A 135 19.602 -5.592 -5.323 1.00 24.14 H new ATOM 2139 N LYS A 136 17.843 -1.291 -6.069 1.00 14.23 N ATOM 2140 CA LYS A 136 17.468 0.031 -6.609 1.00 44.32 C ATOM 2141 C LYS A 136 15.964 0.322 -6.403 1.00 51.51 C ATOM 2142 O LYS A 136 15.559 1.477 -6.384 1.00 42.44 O ATOM 2143 CB LYS A 136 17.850 0.139 -8.112 1.00 31.25 C ATOM 2144 CG LYS A 136 17.046 -0.764 -9.057 1.00 22.23 C ATOM 2145 CD LYS A 136 17.545 -0.730 -10.523 1.00 34.15 C ATOM 2146 CE LYS A 136 18.936 -1.361 -10.707 1.00 43.14 C ATOM 2147 NZ LYS A 136 19.402 -1.294 -12.124 1.00 5.32 N ATOM 0 H LYS A 136 18.062 -1.982 -6.786 1.00 14.23 H new ATOM 0 HA LYS A 136 18.028 0.785 -6.056 1.00 44.32 H new ATOM 0 HB2 LYS A 136 17.723 1.174 -8.429 1.00 31.25 H new ATOM 0 HB3 LYS A 136 18.908 -0.100 -8.220 1.00 31.25 H new ATOM 0 HG2 LYS A 136 17.090 -1.790 -8.691 1.00 22.23 H new ATOM 0 HG3 LYS A 136 15.999 -0.462 -9.031 1.00 22.23 H new ATOM 0 HD2 LYS A 136 16.829 -1.255 -11.155 1.00 34.15 H new ATOM 0 HD3 LYS A 136 17.575 0.304 -10.866 1.00 34.15 H new ATOM 0 HE2 LYS A 136 19.653 -0.849 -10.066 1.00 43.14 H new ATOM 0 HE3 LYS A 136 18.907 -2.402 -10.385 1.00 43.14 H new ATOM 0 HZ1 LYS A 136 20.343 -1.731 -12.201 1.00 5.32 H new ATOM 0 HZ2 LYS A 136 18.732 -1.805 -12.734 1.00 5.32 H new ATOM 0 HZ3 LYS A 136 19.456 -0.300 -12.425 1.00 5.32 H new ATOM 2161 N TYR A 137 15.145 -0.745 -6.268 1.00 63.30 N ATOM 2162 CA TYR A 137 13.682 -0.628 -6.016 1.00 43.04 C ATOM 2163 C TYR A 137 13.374 -0.544 -4.512 1.00 3.02 C ATOM 2164 O TYR A 137 12.282 -0.107 -4.118 1.00 13.24 O ATOM 2165 CB TYR A 137 12.927 -1.813 -6.669 1.00 74.22 C ATOM 2166 CG TYR A 137 13.034 -1.808 -8.197 1.00 53.13 C ATOM 2167 CD1 TYR A 137 12.211 -0.985 -8.972 1.00 30.55 C ATOM 2168 CD2 TYR A 137 13.988 -2.576 -8.860 1.00 11.51 C ATOM 2169 CE1 TYR A 137 12.333 -0.944 -10.347 1.00 2.24 C ATOM 2170 CE2 TYR A 137 14.119 -2.529 -10.235 1.00 31.44 C ATOM 2171 CZ TYR A 137 13.292 -1.716 -10.973 1.00 53.24 C ATOM 2172 OH TYR A 137 13.424 -1.668 -12.346 1.00 64.40 O ATOM 0 H TYR A 137 15.473 -1.709 -6.329 1.00 63.30 H new ATOM 0 HA TYR A 137 13.335 0.299 -6.472 1.00 43.04 H new ATOM 0 HB2 TYR A 137 13.327 -2.751 -6.283 1.00 74.22 H new ATOM 0 HB3 TYR A 137 11.876 -1.772 -6.382 1.00 74.22 H new ATOM 0 HD1 TYR A 137 11.467 -0.371 -8.487 1.00 30.55 H new ATOM 0 HD2 TYR A 137 14.638 -3.221 -8.288 1.00 11.51 H new ATOM 0 HE1 TYR A 137 11.681 -0.311 -10.930 1.00 2.24 H new ATOM 0 HE2 TYR A 137 14.869 -3.129 -10.728 1.00 31.44 H new ATOM 0 HH TYR A 137 14.145 -2.270 -12.627 1.00 64.40 H new ATOM 2182 N LEU A 138 14.346 -0.967 -3.686 1.00 11.01 N ATOM 2183 CA LEU A 138 14.253 -0.888 -2.222 1.00 72.20 C ATOM 2184 C LEU A 138 14.296 0.584 -1.766 1.00 24.32 C ATOM 2185 O LEU A 138 15.353 1.224 -1.833 1.00 22.23 O ATOM 2186 CB LEU A 138 15.417 -1.674 -1.549 1.00 12.20 C ATOM 2187 CG LEU A 138 15.492 -3.207 -1.802 1.00 32.52 C ATOM 2188 CD1 LEU A 138 16.648 -3.833 -0.981 1.00 14.42 C ATOM 2189 CD2 LEU A 138 14.144 -3.897 -1.519 1.00 14.30 C ATOM 0 H LEU A 138 15.220 -1.374 -4.018 1.00 11.01 H new ATOM 0 HA LEU A 138 13.306 -1.335 -1.919 1.00 72.20 H new ATOM 0 HB2 LEU A 138 16.357 -1.232 -1.881 1.00 12.20 H new ATOM 0 HB3 LEU A 138 15.352 -1.514 -0.473 1.00 12.20 H new ATOM 0 HG LEU A 138 15.706 -3.368 -2.859 1.00 32.52 H new ATOM 0 HD11 LEU A 138 16.688 -4.906 -1.168 1.00 14.42 H new ATOM 0 HD12 LEU A 138 17.593 -3.378 -1.277 1.00 14.42 H new ATOM 0 HD13 LEU A 138 16.477 -3.656 0.081 1.00 14.42 H new ATOM 0 HD21 LEU A 138 14.236 -4.967 -1.707 1.00 14.30 H new ATOM 0 HD22 LEU A 138 13.863 -3.734 -0.478 1.00 14.30 H new ATOM 0 HD23 LEU A 138 13.377 -3.479 -2.171 1.00 14.30 H new ATOM 2201 N HIS A 139 13.139 1.119 -1.332 1.00 23.33 N ATOM 2202 CA HIS A 139 13.033 2.469 -0.727 1.00 25.13 C ATOM 2203 C HIS A 139 12.027 2.417 0.425 1.00 3.31 C ATOM 2204 O HIS A 139 10.996 1.759 0.303 1.00 40.15 O ATOM 2205 CB HIS A 139 12.554 3.528 -1.747 1.00 60.13 C ATOM 2206 CG HIS A 139 13.399 3.668 -2.987 1.00 5.14 C ATOM 2207 ND1 HIS A 139 12.896 3.471 -4.253 1.00 13.13 N ATOM 2208 CD2 HIS A 139 14.706 3.985 -3.154 1.00 25.31 C ATOM 2209 CE1 HIS A 139 13.845 3.668 -5.137 1.00 64.15 C ATOM 2210 NE2 HIS A 139 14.952 3.978 -4.501 1.00 15.23 N ATOM 0 H HIS A 139 12.246 0.629 -1.389 1.00 23.33 H new ATOM 0 HA HIS A 139 14.025 2.756 -0.378 1.00 25.13 H new ATOM 0 HB2 HIS A 139 11.536 3.281 -2.049 1.00 60.13 H new ATOM 0 HB3 HIS A 139 12.512 4.495 -1.247 1.00 60.13 H new ATOM 0 HD2 HIS A 139 15.419 4.202 -2.372 1.00 25.31 H new ATOM 0 HE1 HIS A 139 13.735 3.589 -6.208 1.00 64.15 H new ATOM 0 HE2 HIS A 139 15.850 4.181 -4.940 1.00 15.23 H new ATOM 2219 N GLN A 140 12.321 3.130 1.524 1.00 32.51 N ATOM 2220 CA GLN A 140 11.410 3.228 2.681 1.00 32.13 C ATOM 2221 C GLN A 140 10.332 4.293 2.413 1.00 24.35 C ATOM 2222 O GLN A 140 10.510 5.164 1.560 1.00 2.15 O ATOM 2223 CB GLN A 140 12.178 3.578 3.994 1.00 45.11 C ATOM 2224 CG GLN A 140 13.369 2.641 4.340 1.00 63.42 C ATOM 2225 CD GLN A 140 14.743 3.105 3.839 1.00 44.52 C ATOM 2226 OE1 GLN A 140 14.861 3.784 2.819 1.00 65.35 O ATOM 2227 NE2 GLN A 140 15.796 2.708 4.538 1.00 51.40 N ATOM 0 H GLN A 140 13.190 3.652 1.638 1.00 32.51 H new ATOM 0 HA GLN A 140 10.941 2.253 2.815 1.00 32.13 H new ATOM 0 HB2 GLN A 140 12.552 4.599 3.915 1.00 45.11 H new ATOM 0 HB3 GLN A 140 11.471 3.561 4.824 1.00 45.11 H new ATOM 0 HG2 GLN A 140 13.416 2.527 5.423 1.00 63.42 H new ATOM 0 HG3 GLN A 140 13.165 1.654 3.925 1.00 63.42 H new ATOM 0 HE21 GLN A 140 15.667 2.146 5.379 1.00 51.40 H new ATOM 0 HE22 GLN A 140 16.736 2.964 4.235 1.00 51.40 H new ATOM 2236 N PHE A 141 9.225 4.210 3.160 1.00 75.14 N ATOM 2237 CA PHE A 141 8.123 5.185 3.075 1.00 23.01 C ATOM 2238 C PHE A 141 8.453 6.440 3.910 1.00 72.24 C ATOM 2239 O PHE A 141 9.187 6.355 4.902 1.00 14.14 O ATOM 2240 CB PHE A 141 6.807 4.549 3.591 1.00 14.12 C ATOM 2241 CG PHE A 141 6.431 3.237 2.906 1.00 63.24 C ATOM 2242 CD1 PHE A 141 5.815 3.232 1.657 1.00 11.44 C ATOM 2243 CD2 PHE A 141 6.688 2.010 3.523 1.00 4.11 C ATOM 2244 CE1 PHE A 141 5.476 2.042 1.043 1.00 30.54 C ATOM 2245 CE2 PHE A 141 6.349 0.824 2.910 1.00 31.14 C ATOM 2246 CZ PHE A 141 5.738 0.840 1.670 1.00 30.30 C ATOM 0 H PHE A 141 9.065 3.467 3.841 1.00 75.14 H new ATOM 0 HA PHE A 141 7.997 5.475 2.032 1.00 23.01 H new ATOM 0 HB2 PHE A 141 6.899 4.372 4.663 1.00 14.12 H new ATOM 0 HB3 PHE A 141 5.994 5.263 3.454 1.00 14.12 H new ATOM 0 HD1 PHE A 141 5.600 4.168 1.163 1.00 11.44 H new ATOM 0 HD2 PHE A 141 7.159 1.991 4.495 1.00 4.11 H new ATOM 0 HE1 PHE A 141 5.005 2.052 0.071 1.00 30.54 H new ATOM 0 HE2 PHE A 141 6.560 -0.117 3.397 1.00 31.14 H new ATOM 0 HZ PHE A 141 5.465 -0.089 1.191 1.00 30.30 H new ATOM 2256 N GLU A 142 7.911 7.589 3.493 1.00 23.12 N ATOM 2257 CA GLU A 142 7.973 8.835 4.268 1.00 3.34 C ATOM 2258 C GLU A 142 7.016 8.738 5.469 1.00 55.43 C ATOM 2259 O GLU A 142 5.796 8.918 5.327 1.00 25.03 O ATOM 2260 CB GLU A 142 7.619 10.042 3.364 1.00 13.45 C ATOM 2261 CG GLU A 142 8.524 10.184 2.125 1.00 71.00 C ATOM 2262 CD GLU A 142 10.011 10.367 2.480 1.00 71.51 C ATOM 2263 OE1 GLU A 142 10.377 11.442 2.993 1.00 25.11 O ATOM 2264 OE2 GLU A 142 10.818 9.440 2.252 1.00 70.44 O ATOM 0 H GLU A 142 7.415 7.682 2.606 1.00 23.12 H new ATOM 0 HA GLU A 142 8.985 8.985 4.643 1.00 3.34 H new ATOM 0 HB2 GLU A 142 6.584 9.946 3.036 1.00 13.45 H new ATOM 0 HB3 GLU A 142 7.683 10.956 3.954 1.00 13.45 H new ATOM 0 HG2 GLU A 142 8.413 9.299 1.498 1.00 71.00 H new ATOM 0 HG3 GLU A 142 8.190 11.037 1.535 1.00 71.00 H new ATOM 2271 N GLY A 143 7.592 8.396 6.638 1.00 5.42 N ATOM 2272 CA GLY A 143 6.842 8.179 7.874 1.00 55.05 C ATOM 2273 C GLY A 143 6.293 9.476 8.450 1.00 34.52 C ATOM 2274 O GLY A 143 6.878 10.058 9.365 1.00 11.13 O ATOM 0 H GLY A 143 8.598 8.264 6.744 1.00 5.42 H new ATOM 0 HA2 GLY A 143 6.018 7.492 7.681 1.00 55.05 H new ATOM 0 HA3 GLY A 143 7.489 7.702 8.610 1.00 55.05 H new ATOM 2278 N GLU A 144 5.192 9.946 7.854 1.00 34.30 N ATOM 2279 CA GLU A 144 4.442 11.141 8.287 1.00 31.32 C ATOM 2280 C GLU A 144 2.970 10.733 8.453 1.00 61.34 C ATOM 2281 O GLU A 144 2.355 10.931 9.513 1.00 64.33 O ATOM 2282 CB GLU A 144 4.566 12.279 7.224 1.00 22.45 C ATOM 2283 CG GLU A 144 6.011 12.694 6.869 1.00 22.22 C ATOM 2284 CD GLU A 144 6.083 13.740 5.742 1.00 62.43 C ATOM 2285 OE1 GLU A 144 5.867 14.939 6.012 1.00 13.53 O ATOM 2286 OE2 GLU A 144 6.356 13.361 4.575 1.00 15.02 O ATOM 0 H GLU A 144 4.783 9.497 7.035 1.00 34.30 H new ATOM 0 HA GLU A 144 4.844 11.518 9.227 1.00 31.32 H new ATOM 0 HB2 GLU A 144 4.063 11.958 6.312 1.00 22.45 H new ATOM 0 HB3 GLU A 144 4.033 13.156 7.591 1.00 22.45 H new ATOM 0 HG2 GLU A 144 6.496 13.095 7.759 1.00 22.22 H new ATOM 0 HG3 GLU A 144 6.573 11.809 6.571 1.00 22.22 H new ATOM 2293 N THR A 145 2.432 10.147 7.366 1.00 2.42 N ATOM 2294 CA THR A 145 1.072 9.617 7.300 1.00 3.40 C ATOM 2295 C THR A 145 1.045 8.428 6.309 1.00 41.22 C ATOM 2296 O THR A 145 1.387 8.595 5.134 1.00 54.05 O ATOM 2297 CB THR A 145 0.054 10.717 6.831 1.00 32.23 C ATOM 2298 OG1 THR A 145 0.222 11.925 7.593 1.00 45.33 O ATOM 2299 CG2 THR A 145 -1.401 10.251 6.960 1.00 21.55 C ATOM 0 H THR A 145 2.949 10.030 6.494 1.00 2.42 H new ATOM 0 HA THR A 145 0.776 9.288 8.296 1.00 3.40 H new ATOM 0 HB THR A 145 0.266 10.907 5.779 1.00 32.23 H new ATOM 0 HG1 THR A 145 -0.420 12.598 7.285 1.00 45.33 H new ATOM 0 HG21 THR A 145 -2.068 11.045 6.624 1.00 21.55 H new ATOM 0 HG22 THR A 145 -1.555 9.364 6.346 1.00 21.55 H new ATOM 0 HG23 THR A 145 -1.616 10.013 8.002 1.00 21.55 H new ATOM 2307 N PHE A 146 0.669 7.231 6.797 1.00 5.14 N ATOM 2308 CA PHE A 146 0.486 6.029 5.960 1.00 3.43 C ATOM 2309 C PHE A 146 -0.960 5.958 5.443 1.00 41.45 C ATOM 2310 O PHE A 146 -1.910 6.122 6.214 1.00 2.42 O ATOM 2311 CB PHE A 146 0.833 4.732 6.753 1.00 75.35 C ATOM 2312 CG PHE A 146 2.328 4.419 6.822 1.00 33.44 C ATOM 2313 CD1 PHE A 146 3.150 4.981 7.799 1.00 73.04 C ATOM 2314 CD2 PHE A 146 2.910 3.545 5.899 1.00 21.15 C ATOM 2315 CE1 PHE A 146 4.504 4.684 7.845 1.00 31.05 C ATOM 2316 CE2 PHE A 146 4.255 3.251 5.947 1.00 33.53 C ATOM 2317 CZ PHE A 146 5.054 3.813 6.920 1.00 24.25 C ATOM 0 H PHE A 146 0.483 7.069 7.787 1.00 5.14 H new ATOM 0 HA PHE A 146 1.167 6.102 5.112 1.00 3.43 H new ATOM 0 HB2 PHE A 146 0.446 4.826 7.768 1.00 75.35 H new ATOM 0 HB3 PHE A 146 0.318 3.889 6.292 1.00 75.35 H new ATOM 0 HD1 PHE A 146 2.727 5.656 8.529 1.00 73.04 H new ATOM 0 HD2 PHE A 146 2.295 3.093 5.135 1.00 21.15 H new ATOM 0 HE1 PHE A 146 5.130 5.132 8.603 1.00 31.05 H new ATOM 0 HE2 PHE A 146 4.685 2.578 5.220 1.00 33.53 H new ATOM 0 HZ PHE A 146 6.107 3.574 6.960 1.00 24.25 H new ATOM 2327 N TYR A 147 -1.098 5.732 4.128 1.00 70.31 N ATOM 2328 CA TYR A 147 -2.393 5.541 3.455 1.00 42.32 C ATOM 2329 C TYR A 147 -2.554 4.074 3.041 1.00 32.33 C ATOM 2330 O TYR A 147 -1.632 3.469 2.490 1.00 11.15 O ATOM 2331 CB TYR A 147 -2.517 6.478 2.218 1.00 54.33 C ATOM 2332 CG TYR A 147 -2.740 7.954 2.567 1.00 33.54 C ATOM 2333 CD1 TYR A 147 -1.755 8.707 3.198 1.00 1.13 C ATOM 2334 CD2 TYR A 147 -3.947 8.591 2.277 1.00 60.20 C ATOM 2335 CE1 TYR A 147 -1.965 10.027 3.524 1.00 51.34 C ATOM 2336 CE2 TYR A 147 -4.153 9.918 2.599 1.00 14.42 C ATOM 2337 CZ TYR A 147 -3.161 10.629 3.226 1.00 41.54 C ATOM 2338 OH TYR A 147 -3.370 11.951 3.562 1.00 53.23 O ATOM 0 H TYR A 147 -0.302 5.676 3.492 1.00 70.31 H new ATOM 0 HA TYR A 147 -3.190 5.800 4.152 1.00 42.32 H new ATOM 0 HB2 TYR A 147 -1.611 6.391 1.618 1.00 54.33 H new ATOM 0 HB3 TYR A 147 -3.344 6.134 1.597 1.00 54.33 H new ATOM 0 HD1 TYR A 147 -0.808 8.247 3.436 1.00 1.13 H new ATOM 0 HD2 TYR A 147 -4.736 8.035 1.791 1.00 60.20 H new ATOM 0 HE1 TYR A 147 -1.186 10.591 4.016 1.00 51.34 H new ATOM 0 HE2 TYR A 147 -5.092 10.395 2.358 1.00 14.42 H new ATOM 0 HH TYR A 147 -2.559 12.316 3.973 1.00 53.23 H new ATOM 2348 N ILE A 148 -3.738 3.515 3.330 1.00 65.31 N ATOM 2349 CA ILE A 148 -4.094 2.125 3.014 1.00 44.13 C ATOM 2350 C ILE A 148 -5.353 2.120 2.122 1.00 43.44 C ATOM 2351 O ILE A 148 -6.453 2.429 2.581 1.00 43.30 O ATOM 2352 CB ILE A 148 -4.339 1.288 4.331 1.00 33.34 C ATOM 2353 CG1 ILE A 148 -3.044 1.245 5.216 1.00 54.23 C ATOM 2354 CG2 ILE A 148 -4.832 -0.132 3.993 1.00 75.32 C ATOM 2355 CD1 ILE A 148 -3.156 0.412 6.485 1.00 73.35 C ATOM 0 H ILE A 148 -4.487 4.025 3.798 1.00 65.31 H new ATOM 0 HA ILE A 148 -3.267 1.657 2.480 1.00 44.13 H new ATOM 0 HB ILE A 148 -5.119 1.783 4.909 1.00 33.34 H new ATOM 0 HG12 ILE A 148 -2.224 0.853 4.614 1.00 54.23 H new ATOM 0 HG13 ILE A 148 -2.777 2.265 5.492 1.00 54.23 H new ATOM 0 HG21 ILE A 148 -4.994 -0.690 4.915 1.00 75.32 H new ATOM 0 HG22 ILE A 148 -5.768 -0.070 3.437 1.00 75.32 H new ATOM 0 HG23 ILE A 148 -4.084 -0.642 3.387 1.00 75.32 H new ATOM 0 HD11 ILE A 148 -2.211 0.445 7.027 1.00 73.35 H new ATOM 0 HD12 ILE A 148 -3.950 0.814 7.115 1.00 73.35 H new ATOM 0 HD13 ILE A 148 -3.388 -0.620 6.223 1.00 73.35 H new ATOM 2367 N ILE A 149 -5.167 1.780 0.841 1.00 71.41 N ATOM 2368 CA ILE A 149 -6.234 1.792 -0.168 1.00 4.31 C ATOM 2369 C ILE A 149 -6.754 0.361 -0.379 1.00 53.22 C ATOM 2370 O ILE A 149 -6.087 -0.458 -1.020 1.00 60.42 O ATOM 2371 CB ILE A 149 -5.716 2.385 -1.536 1.00 1.52 C ATOM 2372 CG1 ILE A 149 -5.021 3.774 -1.326 1.00 65.52 C ATOM 2373 CG2 ILE A 149 -6.857 2.477 -2.579 1.00 20.15 C ATOM 2374 CD1 ILE A 149 -5.863 4.835 -0.624 1.00 63.24 C ATOM 0 H ILE A 149 -4.263 1.486 0.472 1.00 71.41 H new ATOM 0 HA ILE A 149 -7.043 2.428 0.190 1.00 4.31 H new ATOM 0 HB ILE A 149 -4.967 1.698 -1.930 1.00 1.52 H new ATOM 0 HG12 ILE A 149 -4.109 3.620 -0.749 1.00 65.52 H new ATOM 0 HG13 ILE A 149 -4.721 4.160 -2.300 1.00 65.52 H new ATOM 0 HG21 ILE A 149 -6.467 2.889 -3.510 1.00 20.15 H new ATOM 0 HG22 ILE A 149 -7.262 1.482 -2.764 1.00 20.15 H new ATOM 0 HG23 ILE A 149 -7.647 3.125 -2.198 1.00 20.15 H new ATOM 0 HD11 ILE A 149 -5.286 5.755 -0.531 1.00 63.24 H new ATOM 0 HD12 ILE A 149 -6.764 5.029 -1.207 1.00 63.24 H new ATOM 0 HD13 ILE A 149 -6.142 4.480 0.368 1.00 63.24 H new ATOM 2386 N GLU A 150 -7.924 0.068 0.197 1.00 22.41 N ATOM 2387 CA GLU A 150 -8.593 -1.228 0.051 1.00 20.53 C ATOM 2388 C GLU A 150 -9.088 -1.429 -1.396 1.00 75.34 C ATOM 2389 O GLU A 150 -9.902 -0.646 -1.903 1.00 43.44 O ATOM 2390 CB GLU A 150 -9.777 -1.344 1.052 1.00 55.33 C ATOM 2391 CG GLU A 150 -10.551 -2.674 0.935 1.00 33.13 C ATOM 2392 CD GLU A 150 -11.651 -2.880 1.981 1.00 3.12 C ATOM 2393 OE1 GLU A 150 -12.691 -2.172 1.905 1.00 43.05 O ATOM 2394 OE2 GLU A 150 -11.502 -3.787 2.845 1.00 12.41 O ATOM 0 H GLU A 150 -8.437 0.728 0.782 1.00 22.41 H new ATOM 0 HA GLU A 150 -7.870 -2.012 0.276 1.00 20.53 H new ATOM 0 HB2 GLU A 150 -9.395 -1.243 2.068 1.00 55.33 H new ATOM 0 HB3 GLU A 150 -10.466 -0.516 0.886 1.00 55.33 H new ATOM 0 HG2 GLU A 150 -10.999 -2.729 -0.057 1.00 33.13 H new ATOM 0 HG3 GLU A 150 -9.841 -3.498 1.010 1.00 33.13 H new ATOM 2401 N GLN A 151 -8.578 -2.488 -2.043 1.00 4.43 N ATOM 2402 CA GLN A 151 -8.932 -2.869 -3.424 1.00 43.33 C ATOM 2403 C GLN A 151 -9.466 -4.305 -3.429 1.00 2.02 C ATOM 2404 O GLN A 151 -8.687 -5.256 -3.336 1.00 30.30 O ATOM 2405 CB GLN A 151 -7.681 -2.759 -4.362 1.00 1.32 C ATOM 2406 CG GLN A 151 -7.115 -1.334 -4.524 1.00 72.23 C ATOM 2407 CD GLN A 151 -8.072 -0.399 -5.262 1.00 54.33 C ATOM 2408 OE1 GLN A 151 -8.025 -0.290 -6.488 1.00 11.51 O ATOM 2409 NE2 GLN A 151 -8.953 0.274 -4.532 1.00 62.03 N ATOM 0 H GLN A 151 -7.897 -3.116 -1.616 1.00 4.43 H new ATOM 0 HA GLN A 151 -9.700 -2.191 -3.796 1.00 43.33 H new ATOM 0 HB2 GLN A 151 -6.894 -3.405 -3.972 1.00 1.32 H new ATOM 0 HB3 GLN A 151 -7.948 -3.142 -5.347 1.00 1.32 H new ATOM 0 HG2 GLN A 151 -6.897 -0.920 -3.539 1.00 72.23 H new ATOM 0 HG3 GLN A 151 -6.171 -1.382 -5.066 1.00 72.23 H new ATOM 0 HE21 GLN A 151 -8.967 0.162 -3.518 1.00 62.03 H new ATOM 0 HE22 GLN A 151 -9.616 0.903 -4.985 1.00 62.03 H new ATOM 2418 N ARG A 152 -10.799 -4.468 -3.509 1.00 74.15 N ATOM 2419 CA ARG A 152 -11.415 -5.805 -3.673 1.00 32.14 C ATOM 2420 C ARG A 152 -11.423 -6.177 -5.162 1.00 5.42 C ATOM 2421 O ARG A 152 -11.359 -5.286 -6.030 1.00 4.14 O ATOM 2422 CB ARG A 152 -12.860 -5.883 -3.085 1.00 52.12 C ATOM 2423 CG ARG A 152 -12.965 -5.599 -1.559 1.00 64.43 C ATOM 2424 CD ARG A 152 -13.173 -4.107 -1.231 1.00 62.05 C ATOM 2425 NE ARG A 152 -14.500 -3.631 -1.686 1.00 61.30 N ATOM 2426 CZ ARG A 152 -15.324 -2.818 -0.993 1.00 73.31 C ATOM 2427 NH1 ARG A 152 -14.988 -2.350 0.212 1.00 74.03 N ATOM 2428 NH2 ARG A 152 -16.505 -2.497 -1.511 1.00 54.33 N ATOM 0 H ARG A 152 -11.469 -3.700 -3.464 1.00 74.15 H new ATOM 0 HA ARG A 152 -10.814 -6.518 -3.109 1.00 32.14 H new ATOM 0 HB2 ARG A 152 -13.491 -5.171 -3.616 1.00 52.12 H new ATOM 0 HB3 ARG A 152 -13.264 -6.876 -3.283 1.00 52.12 H new ATOM 0 HG2 ARG A 152 -13.793 -6.174 -1.145 1.00 64.43 H new ATOM 0 HG3 ARG A 152 -12.057 -5.949 -1.068 1.00 64.43 H new ATOM 0 HD2 ARG A 152 -13.079 -3.953 -0.156 1.00 62.05 H new ATOM 0 HD3 ARG A 152 -12.390 -3.516 -1.707 1.00 62.05 H new ATOM 0 HE ARG A 152 -14.818 -3.945 -2.603 1.00 61.30 H new ATOM 0 HH11 ARG A 152 -14.092 -2.606 0.627 1.00 74.03 H new ATOM 0 HH12 ARG A 152 -15.627 -1.737 0.717 1.00 74.03 H new ATOM 0 HH21 ARG A 152 -16.779 -2.864 -2.422 1.00 54.33 H new ATOM 0 HH22 ARG A 152 -17.137 -1.883 -0.997 1.00 54.33 H new ATOM 2442 N LEU A 153 -11.517 -7.491 -5.444 1.00 31.22 N ATOM 2443 CA LEU A 153 -11.472 -8.022 -6.820 1.00 54.01 C ATOM 2444 C LEU A 153 -12.641 -7.520 -7.688 1.00 14.53 C ATOM 2445 O LEU A 153 -13.749 -7.293 -7.188 1.00 70.31 O ATOM 2446 CB LEU A 153 -11.414 -9.576 -6.809 1.00 43.52 C ATOM 2447 CG LEU A 153 -10.066 -10.194 -6.327 1.00 51.00 C ATOM 2448 CD1 LEU A 153 -10.134 -11.730 -6.285 1.00 44.13 C ATOM 2449 CD2 LEU A 153 -8.881 -9.715 -7.202 1.00 53.34 C ATOM 0 H LEU A 153 -11.626 -8.210 -4.729 1.00 31.22 H new ATOM 0 HA LEU A 153 -10.558 -7.641 -7.277 1.00 54.01 H new ATOM 0 HB2 LEU A 153 -12.214 -9.948 -6.168 1.00 43.52 H new ATOM 0 HB3 LEU A 153 -11.619 -9.937 -7.817 1.00 43.52 H new ATOM 0 HG LEU A 153 -9.893 -9.842 -5.310 1.00 51.00 H new ATOM 0 HD11 LEU A 153 -9.178 -12.127 -5.945 1.00 44.13 H new ATOM 0 HD12 LEU A 153 -10.921 -12.041 -5.598 1.00 44.13 H new ATOM 0 HD13 LEU A 153 -10.351 -12.112 -7.282 1.00 44.13 H new ATOM 0 HD21 LEU A 153 -7.956 -10.164 -6.840 1.00 53.34 H new ATOM 0 HD22 LEU A 153 -9.048 -10.014 -8.237 1.00 53.34 H new ATOM 0 HD23 LEU A 153 -8.803 -8.629 -7.146 1.00 53.34 H new ATOM 2461 N GLU A 154 -12.326 -7.341 -8.983 1.00 73.25 N ATOM 2462 CA GLU A 154 -13.256 -6.869 -10.038 1.00 51.35 C ATOM 2463 C GLU A 154 -14.548 -7.717 -10.089 1.00 31.02 C ATOM 2464 O GLU A 154 -15.657 -7.167 -10.171 1.00 45.45 O ATOM 2465 CB GLU A 154 -12.550 -6.812 -11.464 1.00 32.03 C ATOM 2466 CG GLU A 154 -11.199 -7.557 -11.630 1.00 62.21 C ATOM 2467 CD GLU A 154 -11.262 -9.063 -11.317 1.00 34.21 C ATOM 2468 OE1 GLU A 154 -11.956 -9.800 -12.047 1.00 3.33 O ATOM 2469 OE2 GLU A 154 -10.643 -9.506 -10.317 1.00 55.21 O ATOM 0 H GLU A 154 -11.389 -7.525 -9.341 1.00 73.25 H new ATOM 0 HA GLU A 154 -13.543 -5.852 -9.772 1.00 51.35 H new ATOM 0 HB2 GLU A 154 -13.247 -7.213 -12.200 1.00 32.03 H new ATOM 0 HB3 GLU A 154 -12.388 -5.764 -11.717 1.00 32.03 H new ATOM 0 HG2 GLU A 154 -10.848 -7.425 -12.654 1.00 62.21 H new ATOM 0 HG3 GLU A 154 -10.459 -7.093 -10.978 1.00 62.21 H new ATOM 2476 N HIS A 155 -14.395 -9.054 -10.043 1.00 73.20 N ATOM 2477 CA HIS A 155 -15.532 -9.987 -10.010 1.00 62.02 C ATOM 2478 C HIS A 155 -16.180 -9.965 -8.602 1.00 12.22 C ATOM 2479 O HIS A 155 -15.728 -10.623 -7.657 1.00 21.32 O ATOM 2480 CB HIS A 155 -15.099 -11.421 -10.456 1.00 34.44 C ATOM 2481 CG HIS A 155 -14.062 -12.088 -9.582 1.00 15.41 C ATOM 2482 ND1 HIS A 155 -14.376 -13.036 -8.627 1.00 4.15 N ATOM 2483 CD2 HIS A 155 -12.719 -11.942 -9.529 1.00 72.55 C ATOM 2484 CE1 HIS A 155 -13.274 -13.434 -8.024 1.00 1.40 C ATOM 2485 NE2 HIS A 155 -12.254 -12.786 -8.553 1.00 74.13 N ATOM 0 H HIS A 155 -13.484 -9.513 -10.028 1.00 73.20 H new ATOM 0 HA HIS A 155 -16.287 -9.665 -10.727 1.00 62.02 H new ATOM 0 HB2 HIS A 155 -15.985 -12.056 -10.488 1.00 34.44 H new ATOM 0 HB3 HIS A 155 -14.710 -11.365 -11.473 1.00 34.44 H new ATOM 0 HD1 HIS A 155 -15.316 -13.375 -8.421 1.00 4.15 H new ATOM 0 HD2 HIS A 155 -12.122 -11.283 -10.142 1.00 72.55 H new ATOM 0 HE1 HIS A 155 -13.216 -14.166 -7.232 1.00 1.40 H new ATOM 2494 N HIS A 156 -17.207 -9.114 -8.471 1.00 54.24 N ATOM 2495 CA HIS A 156 -17.965 -8.923 -7.218 1.00 72.22 C ATOM 2496 C HIS A 156 -19.003 -10.044 -7.019 1.00 40.23 C ATOM 2497 O HIS A 156 -19.329 -10.766 -7.973 1.00 62.54 O ATOM 2498 CB HIS A 156 -18.629 -7.527 -7.229 1.00 74.21 C ATOM 2499 CG HIS A 156 -17.637 -6.386 -7.277 1.00 13.54 C ATOM 2500 ND1 HIS A 156 -16.594 -6.089 -6.460 1.00 22.32 N flip ATOM 2501 CD2 HIS A 156 -17.627 -5.418 -8.259 1.00 61.43 C flip ATOM 2502 CE1 HIS A 156 -15.976 -4.969 -6.964 1.00 15.11 C flip ATOM 2503 NE2 HIS A 156 -16.625 -4.587 -8.050 1.00 4.03 N flip ATOM 0 H HIS A 156 -17.542 -8.531 -9.238 1.00 54.24 H new ATOM 0 HA HIS A 156 -17.279 -8.977 -6.373 1.00 72.22 H new ATOM 0 HB2 HIS A 156 -19.293 -7.456 -8.090 1.00 74.21 H new ATOM 0 HB3 HIS A 156 -19.249 -7.421 -6.339 1.00 74.21 H new ATOM 0 HD1 HIS A 156 -16.319 -6.604 -5.624 1.00 22.32 H new ATOM 0 HD2 HIS A 156 -18.332 -5.351 -9.074 1.00 61.43 H new ATOM 0 HE1 HIS A 156 -15.108 -4.484 -6.544 1.00 15.11 H new ATOM 2512 N HIS A 157 -19.516 -10.168 -5.768 1.00 12.24 N ATOM 2513 CA HIS A 157 -20.323 -11.329 -5.316 1.00 30.01 C ATOM 2514 C HIS A 157 -19.476 -12.619 -5.474 1.00 22.14 C ATOM 2515 O HIS A 157 -19.950 -13.644 -5.993 1.00 12.44 O ATOM 2516 CB HIS A 157 -21.688 -11.430 -6.086 1.00 54.13 C ATOM 2517 CG HIS A 157 -22.585 -10.210 -5.993 1.00 2.00 C ATOM 2518 ND1 HIS A 157 -23.548 -9.918 -6.938 1.00 53.44 N ATOM 2519 CD2 HIS A 157 -22.677 -9.224 -5.063 1.00 63.23 C ATOM 2520 CE1 HIS A 157 -24.186 -8.815 -6.599 1.00 20.11 C ATOM 2521 NE2 HIS A 157 -23.682 -8.376 -5.464 1.00 53.20 N ATOM 0 H HIS A 157 -19.381 -9.463 -5.043 1.00 12.24 H new ATOM 0 HA HIS A 157 -20.581 -11.196 -4.265 1.00 30.01 H new ATOM 0 HB2 HIS A 157 -21.478 -11.625 -7.138 1.00 54.13 H new ATOM 0 HB3 HIS A 157 -22.236 -12.292 -5.706 1.00 54.13 H new ATOM 0 HD2 HIS A 157 -22.073 -9.125 -4.173 1.00 63.23 H new ATOM 0 HE1 HIS A 157 -24.986 -8.351 -7.157 1.00 20.11 H new ATOM 0 HE2 HIS A 157 -23.988 -7.542 -4.963 1.00 53.20 H new ATOM 2530 N HIS A 158 -18.198 -12.531 -5.022 1.00 2.44 N ATOM 2531 CA HIS A 158 -17.178 -13.567 -5.281 1.00 41.02 C ATOM 2532 C HIS A 158 -17.544 -14.923 -4.626 1.00 1.30 C ATOM 2533 O HIS A 158 -17.737 -15.020 -3.409 1.00 30.21 O ATOM 2534 CB HIS A 158 -15.741 -13.102 -4.856 1.00 72.13 C ATOM 2535 CG HIS A 158 -15.460 -13.082 -3.368 1.00 53.35 C ATOM 2536 ND1 HIS A 158 -14.661 -14.018 -2.739 1.00 60.20 N ATOM 2537 CD2 HIS A 158 -15.865 -12.234 -2.392 1.00 41.33 C ATOM 2538 CE1 HIS A 158 -14.605 -13.749 -1.451 1.00 15.32 C ATOM 2539 NE2 HIS A 158 -15.322 -12.672 -1.212 1.00 53.22 N ATOM 0 H HIS A 158 -17.853 -11.744 -4.472 1.00 2.44 H new ATOM 0 HA HIS A 158 -17.164 -13.720 -6.360 1.00 41.02 H new ATOM 0 HB2 HIS A 158 -15.013 -13.758 -5.334 1.00 72.13 H new ATOM 0 HB3 HIS A 158 -15.574 -12.100 -5.250 1.00 72.13 H new ATOM 0 HD2 HIS A 158 -16.500 -11.370 -2.520 1.00 41.33 H new ATOM 0 HE1 HIS A 158 -14.060 -14.319 -0.713 1.00 15.32 H new ATOM 0 HE2 HIS A 158 -15.452 -12.235 -0.300 1.00 53.22 H new ATOM 2548 N HIS A 159 -17.702 -15.939 -5.480 1.00 43.44 N ATOM 2549 CA HIS A 159 -17.816 -17.359 -5.085 1.00 75.01 C ATOM 2550 C HIS A 159 -16.463 -18.080 -5.320 1.00 71.52 C ATOM 2551 O HIS A 159 -16.372 -19.306 -5.261 1.00 33.12 O ATOM 2552 CB HIS A 159 -19.014 -18.038 -5.822 1.00 43.43 C ATOM 2553 CG HIS A 159 -19.177 -17.634 -7.263 1.00 64.40 C ATOM 2554 ND1 HIS A 159 -19.895 -16.518 -7.643 1.00 14.35 N ATOM 2555 CD2 HIS A 159 -18.719 -18.186 -8.408 1.00 61.23 C ATOM 2556 CE1 HIS A 159 -19.875 -16.412 -8.953 1.00 10.15 C ATOM 2557 NE2 HIS A 159 -19.168 -17.410 -9.445 1.00 5.14 N ATOM 0 H HIS A 159 -17.756 -15.801 -6.489 1.00 43.44 H new ATOM 0 HA HIS A 159 -18.034 -17.432 -4.020 1.00 75.01 H new ATOM 0 HB2 HIS A 159 -18.886 -19.119 -5.774 1.00 43.43 H new ATOM 0 HB3 HIS A 159 -19.933 -17.802 -5.286 1.00 43.43 H new ATOM 0 HD2 HIS A 159 -18.111 -19.075 -8.491 1.00 61.23 H new ATOM 0 HE1 HIS A 159 -20.357 -15.637 -9.530 1.00 10.15 H new ATOM 0 HE2 HIS A 159 -18.985 -17.577 -10.434 1.00 5.14 H new ATOM 2566 N HIS A 160 -15.423 -17.279 -5.616 1.00 32.12 N ATOM 2567 CA HIS A 160 -14.010 -17.669 -5.541 1.00 23.23 C ATOM 2568 C HIS A 160 -13.322 -16.622 -4.644 1.00 24.13 C ATOM 2569 O HIS A 160 -13.135 -15.470 -5.101 1.00 32.43 O ATOM 2570 CB HIS A 160 -13.352 -17.719 -6.952 1.00 34.52 C ATOM 2571 CG HIS A 160 -13.889 -18.804 -7.846 1.00 22.52 C ATOM 2572 ND1 HIS A 160 -13.338 -20.062 -7.899 1.00 31.35 N ATOM 2573 CD2 HIS A 160 -14.934 -18.823 -8.705 1.00 54.33 C ATOM 2574 CE1 HIS A 160 -14.012 -20.805 -8.747 1.00 74.44 C ATOM 2575 NE2 HIS A 160 -14.989 -20.081 -9.251 1.00 50.54 N ATOM 2576 OXT HIS A 160 -13.032 -16.931 -3.473 1.00 38.61 O ATOM 0 H HIS A 160 -15.550 -16.315 -5.923 1.00 32.12 H new ATOM 0 HA HIS A 160 -13.907 -18.673 -5.129 1.00 23.23 H new ATOM 0 HB2 HIS A 160 -13.496 -16.756 -7.442 1.00 34.52 H new ATOM 0 HB3 HIS A 160 -12.277 -17.859 -6.835 1.00 34.52 H new ATOM 0 HD2 HIS A 160 -15.601 -18.001 -8.921 1.00 54.33 H new ATOM 0 HE1 HIS A 160 -13.800 -21.836 -8.990 1.00 74.44 H new ATOM 0 HE2 HIS A 160 -15.674 -20.402 -9.935 1.00 50.54 H new TER 2585 HIS A 160