USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1052 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 108 ASN :FLIP amide:sc= 0.721 F(o=-0.051,f=0.97) USER MOD Set 1.2: A 113 THR OG1 : rot 180:sc= 0.253 USER MOD Set 2.1: A 88 CYS SG : rot 180:sc= 0.784 USER MOD Set 2.2: A 137 TYR OH : rot -61:sc= 1.18 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 156:sc= 1.05 (180deg=-0.0043) USER MOD Set 3.2: A 50 TYR OH : rot -124:sc= 0.606 USER MOD Set 4.1: A 5 GLN : amide:sc= -1.14 K(o=-1.4,f=-6!) USER MOD Set 4.2: A 35 THR OG1 : rot -150:sc= -0.222 USER MOD Set 5.1: A 16 THR OG1 : rot 115:sc= 1.47 USER MOD Set 5.2: A 20 CYS SG : rot -115:sc= 1.85 USER MOD Set 5.3: A 69 TYR OH : rot -29:sc= 0.799 USER MOD Single : A 10 MET CE :methyl 178:sc= -0.104 (180deg=-0.111) USER MOD Single : A 11 GLN : amide:sc= -0.175 K(o=-0.18,f=-2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -141:sc= -0.55 (180deg=-0.684) USER MOD Single : A 17 CYS SG : rot 180:sc= -1.99! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 159:sc= 0 (180deg=-0.0179) USER MOD Single : A 38 ASN : amide:sc= 0.656 K(o=0.66,f=-0.14) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -93:sc= 1.26 USER MOD Single : A 47 ASN : amide:sc= -0.412 K(o=-0.41,f=-5.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 57 THR OG1 : rot -106:sc= 0.00767 USER MOD Single : A 61 GLN : amide:sc= -0.141 K(o=-0.14,f=-2.1) USER MOD Single : A 63 LYS NZ :NH3+ -151:sc= 1.13 (180deg=0.956) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= 0.986 K(o=0.99,f=-3.4!) USER MOD Single : A 73 THR OG1 : rot -115:sc= -0.209 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 157:sc= -0.0636 (180deg=-1.31) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 1.24 K(o=1.2,f=-0.7) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.14 K(o=-0.14,f=-0.75) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 30:sc= 0 USER MOD Single : A 119 ASN : amide:sc= 0.0508 K(o=0.051,f=-6.2!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 18:sc= 0.929 USER MOD Single : A 126 SER OG : rot 180:sc= 0.0629 USER MOD Single : A 129 LYS NZ :NH3+ 162:sc= -0.0109 (180deg=-0.14) USER MOD Single : A 134 LYS NZ :NH3+ -151:sc= 1.13 (180deg=0.823) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.475) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 1.803 -14.277 4.364 1.00 1.34 N ATOM 66 CA GLN A 5 0.575 -13.678 3.865 1.00 1.00 C ATOM 67 C GLN A 5 0.224 -12.431 4.681 1.00 0.98 C ATOM 68 O GLN A 5 0.537 -12.349 5.867 1.00 1.23 O ATOM 69 CB GLN A 5 -0.553 -14.707 3.972 1.00 1.02 C ATOM 70 CG GLN A 5 -0.316 -15.870 3.001 1.00 1.22 C ATOM 71 CD GLN A 5 -0.680 -15.493 1.570 1.00 1.54 C ATOM 72 OE1 GLN A 5 -1.579 -14.689 1.337 1.00 2.79 O ATOM 73 NE2 GLN A 5 0.016 -16.052 0.592 1.00 1.67 N ATOM 0 HA GLN A 5 0.709 -13.381 2.825 1.00 1.00 H new ATOM 0 HB2 GLN A 5 -0.612 -15.085 4.993 1.00 1.02 H new ATOM 0 HB3 GLN A 5 -1.509 -14.231 3.752 1.00 1.02 H new ATOM 0 HG2 GLN A 5 0.731 -16.171 3.043 1.00 1.22 H new ATOM 0 HG3 GLN A 5 -0.908 -16.730 3.312 1.00 1.22 H new ATOM 0 HE21 GLN A 5 0.758 -16.717 0.810 1.00 1.67 H new ATOM 0 HE22 GLN A 5 -0.190 -15.818 -0.379 1.00 1.67 H new ATOM 82 N LYS A 6 -0.429 -11.464 4.038 1.00 0.98 N ATOM 83 CA LYS A 6 -0.795 -10.197 4.652 1.00 1.06 C ATOM 84 C LYS A 6 -2.003 -9.638 3.924 1.00 0.92 C ATOM 85 O LYS A 6 -2.198 -9.948 2.748 1.00 1.01 O ATOM 86 CB LYS A 6 0.382 -9.204 4.612 1.00 1.38 C ATOM 87 CG LYS A 6 0.453 -8.281 3.381 1.00 1.95 C ATOM 88 CD LYS A 6 0.453 -9.024 2.031 1.00 1.42 C ATOM 89 CE LYS A 6 1.715 -8.748 1.228 1.00 1.48 C ATOM 90 NZ LYS A 6 1.759 -7.353 0.751 1.00 1.92 N ATOM 0 H LYS A 6 -0.721 -11.544 3.064 1.00 0.98 H new ATOM 0 HA LYS A 6 -1.043 -10.358 5.701 1.00 1.06 H new ATOM 0 HB2 LYS A 6 0.335 -8.581 5.505 1.00 1.38 H new ATOM 0 HB3 LYS A 6 1.311 -9.772 4.668 1.00 1.38 H new ATOM 0 HG2 LYS A 6 -0.395 -7.596 3.406 1.00 1.95 H new ATOM 0 HG3 LYS A 6 1.356 -7.674 3.448 1.00 1.95 H new ATOM 0 HD2 LYS A 6 0.363 -10.096 2.207 1.00 1.42 H new ATOM 0 HD3 LYS A 6 -0.419 -8.722 1.451 1.00 1.42 H new ATOM 0 HE2 LYS A 6 2.591 -8.951 1.844 1.00 1.48 H new ATOM 0 HE3 LYS A 6 1.761 -9.426 0.376 1.00 1.48 H new ATOM 0 HZ1 LYS A 6 2.747 -7.076 0.579 1.00 1.92 H new ATOM 0 HZ2 LYS A 6 1.217 -7.271 -0.133 1.00 1.92 H new ATOM 0 HZ3 LYS A 6 1.344 -6.727 1.470 1.00 1.92 H new ATOM 104 N GLU A 7 -2.760 -8.791 4.606 1.00 0.92 N ATOM 105 CA GLU A 7 -4.001 -8.209 4.149 1.00 0.84 C ATOM 106 C GLU A 7 -3.765 -6.734 3.821 1.00 1.02 C ATOM 107 O GLU A 7 -3.589 -5.920 4.724 1.00 1.82 O ATOM 108 CB GLU A 7 -5.054 -8.359 5.262 1.00 0.92 C ATOM 109 CG GLU A 7 -5.041 -9.743 5.943 1.00 1.74 C ATOM 110 CD GLU A 7 -4.147 -9.822 7.184 1.00 1.80 C ATOM 111 OE1 GLU A 7 -3.067 -9.190 7.167 1.00 2.09 O ATOM 112 OE2 GLU A 7 -4.559 -10.531 8.126 1.00 2.74 O ATOM 0 H GLU A 7 -2.506 -8.478 5.543 1.00 0.92 H new ATOM 0 HA GLU A 7 -4.359 -8.714 3.252 1.00 0.84 H new ATOM 0 HB2 GLU A 7 -4.885 -7.591 6.016 1.00 0.92 H new ATOM 0 HB3 GLU A 7 -6.043 -8.180 4.841 1.00 0.92 H new ATOM 0 HG2 GLU A 7 -6.060 -10.006 6.226 1.00 1.74 H new ATOM 0 HG3 GLU A 7 -4.708 -10.488 5.221 1.00 1.74 H new ATOM 119 N ILE A 8 -3.765 -6.372 2.536 1.00 0.54 N ATOM 120 CA ILE A 8 -3.736 -4.960 2.147 1.00 0.55 C ATOM 121 C ILE A 8 -5.175 -4.502 1.945 1.00 0.50 C ATOM 122 O ILE A 8 -5.879 -5.065 1.109 1.00 0.54 O ATOM 123 CB ILE A 8 -2.837 -4.734 0.919 1.00 0.60 C ATOM 124 CG1 ILE A 8 -2.911 -3.330 0.293 1.00 0.88 C ATOM 125 CG2 ILE A 8 -3.044 -5.804 -0.143 1.00 0.75 C ATOM 126 CD1 ILE A 8 -4.087 -3.085 -0.665 1.00 2.97 C ATOM 0 H ILE A 8 -3.785 -7.028 1.755 1.00 0.54 H new ATOM 0 HA ILE A 8 -3.288 -4.351 2.932 1.00 0.55 H new ATOM 0 HB ILE A 8 -1.827 -4.816 1.322 1.00 0.60 H new ATOM 0 HG12 ILE A 8 -2.964 -2.597 1.098 1.00 0.88 H new ATOM 0 HG13 ILE A 8 -1.983 -3.144 -0.247 1.00 0.88 H new ATOM 0 HG21 ILE A 8 -2.390 -5.605 -0.992 1.00 0.75 H new ATOM 0 HG22 ILE A 8 -2.809 -6.782 0.276 1.00 0.75 H new ATOM 0 HG23 ILE A 8 -4.082 -5.792 -0.475 1.00 0.75 H new ATOM 0 HD11 ILE A 8 -4.040 -2.065 -1.046 1.00 2.97 H new ATOM 0 HD12 ILE A 8 -4.030 -3.786 -1.498 1.00 2.97 H new ATOM 0 HD13 ILE A 8 -5.027 -3.230 -0.132 1.00 2.97 H new ATOM 138 N ALA A 9 -5.597 -3.495 2.716 1.00 0.52 N ATOM 139 CA ALA A 9 -6.900 -2.858 2.612 1.00 0.52 C ATOM 140 C ALA A 9 -6.742 -1.500 1.931 1.00 0.52 C ATOM 141 O ALA A 9 -5.985 -0.674 2.429 1.00 0.64 O ATOM 142 CB ALA A 9 -7.478 -2.681 4.020 1.00 0.62 C ATOM 0 H ALA A 9 -5.017 -3.092 3.452 1.00 0.52 H new ATOM 0 HA ALA A 9 -7.577 -3.474 2.020 1.00 0.52 H new ATOM 0 HB1 ALA A 9 -8.456 -2.204 3.955 1.00 0.62 H new ATOM 0 HB2 ALA A 9 -7.581 -3.656 4.496 1.00 0.62 H new ATOM 0 HB3 ALA A 9 -6.809 -2.057 4.612 1.00 0.62 H new ATOM 148 N MET A 10 -7.416 -1.267 0.804 1.00 0.45 N ATOM 149 CA MET A 10 -7.440 0.041 0.139 1.00 0.48 C ATOM 150 C MET A 10 -8.857 0.370 -0.343 1.00 0.43 C ATOM 151 O MET A 10 -9.697 -0.521 -0.426 1.00 0.42 O ATOM 152 CB MET A 10 -6.443 0.077 -1.032 1.00 0.58 C ATOM 153 CG MET A 10 -5.021 0.464 -0.592 1.00 0.90 C ATOM 154 SD MET A 10 -3.977 1.195 -1.884 1.00 1.86 S ATOM 155 CE MET A 10 -4.162 0.045 -3.268 1.00 2.09 C ATOM 0 H MET A 10 -7.963 -1.981 0.323 1.00 0.45 H new ATOM 0 HA MET A 10 -7.138 0.799 0.862 1.00 0.48 H new ATOM 0 HB2 MET A 10 -6.417 -0.902 -1.511 1.00 0.58 H new ATOM 0 HB3 MET A 10 -6.793 0.788 -1.780 1.00 0.58 H new ATOM 0 HG2 MET A 10 -5.095 1.171 0.235 1.00 0.90 H new ATOM 0 HG3 MET A 10 -4.523 -0.426 -0.207 1.00 0.90 H new ATOM 0 HE1 MET A 10 -3.595 0.412 -4.124 1.00 2.09 H new ATOM 0 HE2 MET A 10 -3.787 -0.937 -2.978 1.00 2.09 H new ATOM 0 HE3 MET A 10 -5.215 -0.034 -3.537 1.00 2.09 H new ATOM 165 N GLN A 11 -9.109 1.629 -0.719 1.00 0.46 N ATOM 166 CA GLN A 11 -10.339 2.042 -1.384 1.00 0.44 C ATOM 167 C GLN A 11 -10.154 2.030 -2.904 1.00 0.43 C ATOM 168 O GLN A 11 -9.148 2.523 -3.423 1.00 0.54 O ATOM 169 CB GLN A 11 -10.771 3.436 -0.924 1.00 0.57 C ATOM 170 CG GLN A 11 -11.394 3.420 0.475 1.00 0.93 C ATOM 171 CD GLN A 11 -11.850 4.809 0.898 1.00 1.24 C ATOM 172 OE1 GLN A 11 -11.644 5.790 0.190 1.00 1.73 O ATOM 173 NE2 GLN A 11 -12.461 4.918 2.072 1.00 1.79 N ATOM 0 H GLN A 11 -8.453 2.395 -0.566 1.00 0.46 H new ATOM 0 HA GLN A 11 -11.120 1.332 -1.114 1.00 0.44 H new ATOM 0 HB2 GLN A 11 -9.907 4.101 -0.927 1.00 0.57 H new ATOM 0 HB3 GLN A 11 -11.490 3.844 -1.635 1.00 0.57 H new ATOM 0 HG2 GLN A 11 -12.244 2.737 0.488 1.00 0.93 H new ATOM 0 HG3 GLN A 11 -10.668 3.040 1.194 1.00 0.93 H new ATOM 0 HE21 GLN A 11 -12.621 4.088 2.643 1.00 1.79 H new ATOM 0 HE22 GLN A 11 -12.770 5.832 2.403 1.00 1.79 H new ATOM 182 N VAL A 12 -11.153 1.487 -3.605 1.00 0.40 N ATOM 183 CA VAL A 12 -11.229 1.391 -5.048 1.00 0.45 C ATOM 184 C VAL A 12 -12.545 2.031 -5.494 1.00 0.45 C ATOM 185 O VAL A 12 -13.572 1.834 -4.849 1.00 0.56 O ATOM 186 CB VAL A 12 -11.112 -0.086 -5.463 1.00 0.51 C ATOM 187 CG1 VAL A 12 -12.119 -0.986 -4.737 1.00 0.50 C ATOM 188 CG2 VAL A 12 -11.313 -0.247 -6.971 1.00 0.72 C ATOM 0 H VAL A 12 -11.970 1.083 -3.147 1.00 0.40 H new ATOM 0 HA VAL A 12 -10.411 1.922 -5.534 1.00 0.45 H new ATOM 0 HB VAL A 12 -10.106 -0.398 -5.181 1.00 0.51 H new ATOM 0 HG11 VAL A 12 -11.991 -2.016 -5.069 1.00 0.50 H new ATOM 0 HG12 VAL A 12 -11.950 -0.927 -3.662 1.00 0.50 H new ATOM 0 HG13 VAL A 12 -13.132 -0.655 -4.964 1.00 0.50 H new ATOM 0 HG21 VAL A 12 -11.226 -1.300 -7.239 1.00 0.72 H new ATOM 0 HG22 VAL A 12 -12.303 0.117 -7.247 1.00 0.72 H new ATOM 0 HG23 VAL A 12 -10.554 0.327 -7.503 1.00 0.72 H new ATOM 198 N SER A 13 -12.508 2.787 -6.591 1.00 0.47 N ATOM 199 CA SER A 13 -13.658 3.471 -7.160 1.00 0.53 C ATOM 200 C SER A 13 -14.134 2.761 -8.424 1.00 0.55 C ATOM 201 O SER A 13 -13.456 1.884 -8.954 1.00 0.64 O ATOM 202 CB SER A 13 -13.258 4.893 -7.532 1.00 0.64 C ATOM 203 OG SER A 13 -12.643 5.542 -6.437 1.00 0.94 O ATOM 0 H SER A 13 -11.650 2.942 -7.120 1.00 0.47 H new ATOM 0 HA SER A 13 -14.461 3.473 -6.423 1.00 0.53 H new ATOM 0 HB2 SER A 13 -12.574 4.873 -8.380 1.00 0.64 H new ATOM 0 HB3 SER A 13 -14.139 5.454 -7.845 1.00 0.64 H new ATOM 0 HG SER A 13 -12.392 6.453 -6.696 1.00 0.94 H new ATOM 209 N GLY A 14 -15.302 3.172 -8.926 1.00 0.61 N ATOM 210 CA GLY A 14 -15.921 2.581 -10.106 1.00 0.67 C ATOM 211 C GLY A 14 -16.681 1.301 -9.755 1.00 0.60 C ATOM 212 O GLY A 14 -17.282 0.671 -10.623 1.00 0.66 O ATOM 0 H GLY A 14 -15.846 3.932 -8.518 1.00 0.61 H new ATOM 0 HA2 GLY A 14 -16.605 3.299 -10.559 1.00 0.67 H new ATOM 0 HA3 GLY A 14 -15.154 2.359 -10.848 1.00 0.67 H new ATOM 216 N MET A 15 -16.676 0.913 -8.476 1.00 0.60 N ATOM 217 CA MET A 15 -17.420 -0.253 -8.033 1.00 0.69 C ATOM 218 C MET A 15 -18.927 -0.013 -8.114 1.00 0.73 C ATOM 219 O MET A 15 -19.511 0.655 -7.267 1.00 0.88 O ATOM 220 CB MET A 15 -17.031 -0.651 -6.612 1.00 0.82 C ATOM 221 CG MET A 15 -15.624 -1.246 -6.549 1.00 0.92 C ATOM 222 SD MET A 15 -15.380 -2.356 -5.145 1.00 1.51 S ATOM 223 CE MET A 15 -15.817 -1.272 -3.774 1.00 2.53 C ATOM 0 H MET A 15 -16.164 1.393 -7.736 1.00 0.60 H new ATOM 0 HA MET A 15 -17.163 -1.072 -8.705 1.00 0.69 H new ATOM 0 HB2 MET A 15 -17.084 0.223 -5.963 1.00 0.82 H new ATOM 0 HB3 MET A 15 -17.749 -1.376 -6.229 1.00 0.82 H new ATOM 0 HG2 MET A 15 -15.425 -1.790 -7.472 1.00 0.92 H new ATOM 0 HG3 MET A 15 -14.897 -0.436 -6.494 1.00 0.92 H new ATOM 0 HE1 MET A 15 -15.142 -1.453 -2.937 1.00 2.53 H new ATOM 0 HE2 MET A 15 -15.731 -0.232 -4.091 1.00 2.53 H new ATOM 0 HE3 MET A 15 -16.842 -1.473 -3.463 1.00 2.53 H new ATOM 233 N THR A 16 -19.569 -0.617 -9.113 1.00 0.84 N ATOM 234 CA THR A 16 -21.012 -0.582 -9.287 1.00 1.02 C ATOM 235 C THR A 16 -21.760 -1.352 -8.194 1.00 1.02 C ATOM 236 O THR A 16 -22.947 -1.109 -8.011 1.00 1.14 O ATOM 237 CB THR A 16 -21.332 -1.108 -10.691 1.00 1.30 C ATOM 238 OG1 THR A 16 -20.420 -0.517 -11.597 1.00 1.42 O ATOM 239 CG2 THR A 16 -22.759 -0.795 -11.144 1.00 1.54 C ATOM 0 H THR A 16 -19.088 -1.153 -9.835 1.00 0.84 H new ATOM 0 HA THR A 16 -21.361 0.446 -9.189 1.00 1.02 H new ATOM 0 HB THR A 16 -21.242 -2.194 -10.668 1.00 1.30 H new ATOM 0 HG1 THR A 16 -19.844 -1.211 -11.981 1.00 1.42 H new ATOM 0 HG21 THR A 16 -22.919 -1.195 -12.145 1.00 1.54 H new ATOM 0 HG22 THR A 16 -23.468 -1.251 -10.453 1.00 1.54 H new ATOM 0 HG23 THR A 16 -22.908 0.285 -11.157 1.00 1.54 H new ATOM 247 N CYS A 17 -21.081 -2.273 -7.493 1.00 1.04 N ATOM 248 CA CYS A 17 -21.651 -3.137 -6.458 1.00 1.31 C ATOM 249 C CYS A 17 -22.508 -4.218 -7.110 1.00 1.24 C ATOM 250 O CYS A 17 -23.646 -3.972 -7.493 1.00 2.49 O ATOM 251 CB CYS A 17 -22.401 -2.370 -5.356 1.00 2.44 C ATOM 252 SG CYS A 17 -23.237 -3.574 -4.297 1.00 3.31 S ATOM 0 H CYS A 17 -20.085 -2.439 -7.639 1.00 1.04 H new ATOM 0 HA CYS A 17 -20.823 -3.614 -5.934 1.00 1.31 H new ATOM 0 HB2 CYS A 17 -21.705 -1.768 -4.771 1.00 2.44 H new ATOM 0 HB3 CYS A 17 -23.125 -1.684 -5.796 1.00 2.44 H new ATOM 0 HG CYS A 17 -23.878 -2.951 -3.354 1.00 3.31 H new ATOM 258 N ALA A 18 -21.897 -5.398 -7.273 1.00 1.32 N ATOM 259 CA ALA A 18 -22.352 -6.597 -7.965 1.00 1.78 C ATOM 260 C ALA A 18 -21.142 -7.098 -8.757 1.00 1.51 C ATOM 261 O ALA A 18 -20.086 -7.350 -8.173 1.00 2.36 O ATOM 262 CB ALA A 18 -23.609 -6.386 -8.831 1.00 2.63 C ATOM 0 H ALA A 18 -20.969 -5.545 -6.877 1.00 1.32 H new ATOM 0 HA ALA A 18 -22.692 -7.346 -7.249 1.00 1.78 H new ATOM 0 HB1 ALA A 18 -23.882 -7.326 -9.311 1.00 2.63 H new ATOM 0 HB2 ALA A 18 -24.432 -6.048 -8.201 1.00 2.63 H new ATOM 0 HB3 ALA A 18 -23.404 -5.635 -9.594 1.00 2.63 H new ATOM 268 N ALA A 19 -21.261 -7.181 -10.084 1.00 1.23 N ATOM 269 CA ALA A 19 -20.254 -7.789 -10.937 1.00 1.09 C ATOM 270 C ALA A 19 -18.890 -7.104 -10.842 1.00 0.80 C ATOM 271 O ALA A 19 -17.881 -7.768 -11.039 1.00 0.75 O ATOM 272 CB ALA A 19 -20.749 -7.806 -12.386 1.00 1.57 C ATOM 0 H ALA A 19 -22.068 -6.823 -10.595 1.00 1.23 H new ATOM 0 HA ALA A 19 -20.106 -8.809 -10.583 1.00 1.09 H new ATOM 0 HB1 ALA A 19 -19.992 -8.262 -13.024 1.00 1.57 H new ATOM 0 HB2 ALA A 19 -21.672 -8.383 -12.448 1.00 1.57 H new ATOM 0 HB3 ALA A 19 -20.936 -6.785 -12.719 1.00 1.57 H new ATOM 278 N CYS A 20 -18.831 -5.796 -10.575 1.00 0.70 N ATOM 279 CA CYS A 20 -17.589 -5.035 -10.661 1.00 0.60 C ATOM 280 C CYS A 20 -16.620 -5.502 -9.587 1.00 0.45 C ATOM 281 O CYS A 20 -15.497 -5.927 -9.861 1.00 0.46 O ATOM 282 CB CYS A 20 -17.898 -3.542 -10.503 1.00 0.68 C ATOM 283 SG CYS A 20 -18.610 -2.952 -12.057 1.00 0.93 S ATOM 0 H CYS A 20 -19.640 -5.241 -10.295 1.00 0.70 H new ATOM 0 HA CYS A 20 -17.124 -5.198 -11.633 1.00 0.60 H new ATOM 0 HB2 CYS A 20 -18.594 -3.382 -9.680 1.00 0.68 H new ATOM 0 HB3 CYS A 20 -16.990 -2.988 -10.265 1.00 0.68 H new ATOM 0 HG CYS A 20 -17.813 -2.078 -12.595 1.00 0.93 H new ATOM 289 N ALA A 21 -17.088 -5.440 -8.343 1.00 0.46 N ATOM 290 CA ALA A 21 -16.327 -5.866 -7.189 1.00 0.50 C ATOM 291 C ALA A 21 -15.926 -7.336 -7.368 1.00 0.49 C ATOM 292 O ALA A 21 -14.747 -7.683 -7.291 1.00 0.54 O ATOM 293 CB ALA A 21 -17.174 -5.601 -5.943 1.00 0.72 C ATOM 0 H ALA A 21 -18.017 -5.088 -8.114 1.00 0.46 H new ATOM 0 HA ALA A 21 -15.397 -5.309 -7.075 1.00 0.50 H new ATOM 0 HB1 ALA A 21 -16.624 -5.914 -5.056 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -17.398 -4.536 -5.875 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -18.105 -6.164 -6.009 1.00 0.72 H new ATOM 299 N ALA A 22 -16.904 -8.180 -7.711 1.00 0.55 N ATOM 300 CA ALA A 22 -16.684 -9.598 -7.973 1.00 0.63 C ATOM 301 C ALA A 22 -15.660 -9.823 -9.086 1.00 0.60 C ATOM 302 O ALA A 22 -14.872 -10.763 -9.019 1.00 0.64 O ATOM 303 CB ALA A 22 -18.018 -10.265 -8.313 1.00 0.78 C ATOM 0 H ALA A 22 -17.877 -7.892 -7.814 1.00 0.55 H new ATOM 0 HA ALA A 22 -16.271 -10.053 -7.072 1.00 0.63 H new ATOM 0 HB1 ALA A 22 -17.855 -11.325 -8.509 1.00 0.78 H new ATOM 0 HB2 ALA A 22 -18.705 -10.152 -7.474 1.00 0.78 H new ATOM 0 HB3 ALA A 22 -18.445 -9.794 -9.198 1.00 0.78 H new ATOM 309 N ARG A 23 -15.658 -8.984 -10.125 1.00 0.59 N ATOM 310 CA ARG A 23 -14.719 -9.085 -11.222 1.00 0.62 C ATOM 311 C ARG A 23 -13.310 -8.859 -10.714 1.00 0.56 C ATOM 312 O ARG A 23 -12.402 -9.585 -11.112 1.00 0.62 O ATOM 313 CB ARG A 23 -15.049 -8.080 -12.338 1.00 0.67 C ATOM 314 CG ARG A 23 -15.750 -8.758 -13.515 1.00 0.82 C ATOM 315 CD ARG A 23 -14.817 -9.805 -14.145 1.00 0.95 C ATOM 316 NE ARG A 23 -14.903 -9.772 -15.615 1.00 1.12 N ATOM 317 CZ ARG A 23 -13.995 -10.286 -16.460 1.00 1.68 C ATOM 318 NH1 ARG A 23 -12.954 -10.975 -15.980 1.00 2.55 N ATOM 319 NH2 ARG A 23 -14.133 -10.109 -17.778 1.00 1.73 N ATOM 0 H ARG A 23 -16.318 -8.212 -10.220 1.00 0.59 H new ATOM 0 HA ARG A 23 -14.796 -10.087 -11.644 1.00 0.62 H new ATOM 0 HB2 ARG A 23 -15.686 -7.290 -11.940 1.00 0.67 H new ATOM 0 HB3 ARG A 23 -14.131 -7.605 -12.685 1.00 0.67 H new ATOM 0 HG2 ARG A 23 -16.670 -9.234 -13.176 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -16.032 -8.014 -14.260 1.00 0.82 H new ATOM 0 HD2 ARG A 23 -13.790 -9.617 -13.833 1.00 0.95 H new ATOM 0 HD3 ARG A 23 -15.083 -10.798 -13.784 1.00 0.95 H new ATOM 0 HE ARG A 23 -15.721 -9.321 -16.025 1.00 1.12 H new ATOM 0 HH11 ARG A 23 -12.851 -11.109 -14.974 1.00 2.55 H new ATOM 0 HH12 ARG A 23 -12.263 -11.367 -16.620 1.00 2.55 H new ATOM 0 HH21 ARG A 23 -14.928 -9.583 -18.142 1.00 1.73 H new ATOM 0 HH22 ARG A 23 -13.443 -10.499 -18.420 1.00 1.73 H new ATOM 333 N ILE A 24 -13.122 -7.861 -9.850 1.00 0.50 N ATOM 334 CA ILE A 24 -11.828 -7.626 -9.254 1.00 0.51 C ATOM 335 C ILE A 24 -11.480 -8.844 -8.405 1.00 0.51 C ATOM 336 O ILE A 24 -10.447 -9.458 -8.644 1.00 0.59 O ATOM 337 CB ILE A 24 -11.831 -6.308 -8.470 1.00 0.49 C ATOM 338 CG1 ILE A 24 -12.096 -5.128 -9.425 1.00 0.58 C ATOM 339 CG2 ILE A 24 -10.493 -6.104 -7.768 1.00 0.56 C ATOM 340 CD1 ILE A 24 -12.671 -3.918 -8.692 1.00 0.54 C ATOM 0 H ILE A 24 -13.851 -7.212 -9.555 1.00 0.50 H new ATOM 0 HA ILE A 24 -11.053 -7.508 -10.012 1.00 0.51 H new ATOM 0 HB ILE A 24 -12.621 -6.353 -7.721 1.00 0.49 H new ATOM 0 HG12 ILE A 24 -11.166 -4.845 -9.919 1.00 0.58 H new ATOM 0 HG13 ILE A 24 -12.789 -5.442 -10.206 1.00 0.58 H new ATOM 0 HG21 ILE A 24 -10.511 -5.164 -7.216 1.00 0.56 H new ATOM 0 HG22 ILE A 24 -10.316 -6.928 -7.076 1.00 0.56 H new ATOM 0 HG23 ILE A 24 -9.694 -6.074 -8.509 1.00 0.56 H new ATOM 0 HD11 ILE A 24 -12.842 -3.110 -9.403 1.00 0.54 H new ATOM 0 HD12 ILE A 24 -13.615 -4.193 -8.220 1.00 0.54 H new ATOM 0 HD13 ILE A 24 -11.967 -3.587 -7.929 1.00 0.54 H new ATOM 352 N GLU A 25 -12.338 -9.239 -7.460 1.00 0.49 N ATOM 353 CA GLU A 25 -12.039 -10.365 -6.586 1.00 0.55 C ATOM 354 C GLU A 25 -11.617 -11.579 -7.410 1.00 0.59 C ATOM 355 O GLU A 25 -10.537 -12.123 -7.201 1.00 0.65 O ATOM 356 CB GLU A 25 -13.236 -10.690 -5.684 1.00 0.64 C ATOM 357 CG GLU A 25 -13.506 -9.582 -4.657 1.00 0.72 C ATOM 358 CD GLU A 25 -14.733 -9.902 -3.812 1.00 2.33 C ATOM 359 OE1 GLU A 25 -15.759 -10.264 -4.429 1.00 3.53 O ATOM 360 OE2 GLU A 25 -14.635 -9.755 -2.574 1.00 3.47 O ATOM 0 H GLU A 25 -13.239 -8.795 -7.285 1.00 0.49 H new ATOM 0 HA GLU A 25 -11.206 -10.090 -5.938 1.00 0.55 H new ATOM 0 HB2 GLU A 25 -14.123 -10.836 -6.300 1.00 0.64 H new ATOM 0 HB3 GLU A 25 -13.051 -11.629 -5.163 1.00 0.64 H new ATOM 0 HG2 GLU A 25 -12.637 -9.462 -4.010 1.00 0.72 H new ATOM 0 HG3 GLU A 25 -13.653 -8.633 -5.172 1.00 0.72 H new ATOM 367 N LYS A 26 -12.435 -11.975 -8.389 1.00 0.63 N ATOM 368 CA LYS A 26 -12.144 -13.119 -9.231 1.00 0.74 C ATOM 369 C LYS A 26 -10.852 -12.900 -10.031 1.00 0.75 C ATOM 370 O LYS A 26 -9.991 -13.777 -10.083 1.00 0.90 O ATOM 371 CB LYS A 26 -13.339 -13.449 -10.139 1.00 0.83 C ATOM 372 CG LYS A 26 -13.195 -14.915 -10.583 1.00 1.07 C ATOM 373 CD LYS A 26 -13.676 -15.227 -12.009 1.00 1.35 C ATOM 374 CE LYS A 26 -15.120 -15.752 -12.038 1.00 1.51 C ATOM 375 NZ LYS A 26 -15.526 -16.175 -13.396 1.00 1.93 N ATOM 0 H LYS A 26 -13.313 -11.507 -8.613 1.00 0.63 H new ATOM 0 HA LYS A 26 -11.979 -13.985 -8.590 1.00 0.74 H new ATOM 0 HB2 LYS A 26 -14.278 -13.301 -9.605 1.00 0.83 H new ATOM 0 HB3 LYS A 26 -13.357 -12.787 -11.005 1.00 0.83 H new ATOM 0 HG2 LYS A 26 -12.146 -15.199 -10.502 1.00 1.07 H new ATOM 0 HG3 LYS A 26 -13.750 -15.543 -9.886 1.00 1.07 H new ATOM 0 HD2 LYS A 26 -13.608 -14.326 -12.618 1.00 1.35 H new ATOM 0 HD3 LYS A 26 -13.014 -15.967 -12.459 1.00 1.35 H new ATOM 0 HE2 LYS A 26 -15.214 -16.594 -11.352 1.00 1.51 H new ATOM 0 HE3 LYS A 26 -15.796 -14.974 -11.683 1.00 1.51 H new ATOM 0 HZ1 LYS A 26 -16.506 -16.523 -13.373 1.00 1.93 H new ATOM 0 HZ2 LYS A 26 -15.461 -15.366 -14.046 1.00 1.93 H new ATOM 0 HZ3 LYS A 26 -14.897 -16.935 -13.726 1.00 1.93 H new ATOM 389 N GLY A 27 -10.727 -11.741 -10.680 1.00 0.63 N ATOM 390 CA GLY A 27 -9.577 -11.389 -11.495 1.00 0.64 C ATOM 391 C GLY A 27 -8.282 -11.511 -10.700 1.00 0.60 C ATOM 392 O GLY A 27 -7.306 -12.082 -11.179 1.00 0.64 O ATOM 0 H GLY A 27 -11.439 -11.011 -10.649 1.00 0.63 H new ATOM 0 HA2 GLY A 27 -9.534 -12.040 -12.368 1.00 0.64 H new ATOM 0 HA3 GLY A 27 -9.687 -10.369 -11.863 1.00 0.64 H new ATOM 396 N LEU A 28 -8.273 -10.991 -9.476 1.00 0.57 N ATOM 397 CA LEU A 28 -7.125 -11.082 -8.593 1.00 0.57 C ATOM 398 C LEU A 28 -6.948 -12.525 -8.116 1.00 0.60 C ATOM 399 O LEU A 28 -5.825 -13.028 -8.105 1.00 0.59 O ATOM 400 CB LEU A 28 -7.277 -10.083 -7.430 1.00 0.61 C ATOM 401 CG LEU A 28 -6.863 -8.630 -7.760 1.00 0.63 C ATOM 402 CD1 LEU A 28 -5.343 -8.529 -7.899 1.00 1.48 C ATOM 403 CD2 LEU A 28 -7.530 -8.033 -9.001 1.00 1.55 C ATOM 0 H LEU A 28 -9.067 -10.494 -9.072 1.00 0.57 H new ATOM 0 HA LEU A 28 -6.217 -10.810 -9.131 1.00 0.57 H new ATOM 0 HB2 LEU A 28 -8.317 -10.084 -7.104 1.00 0.61 H new ATOM 0 HB3 LEU A 28 -6.679 -10.433 -6.589 1.00 0.61 H new ATOM 0 HG LEU A 28 -7.218 -8.038 -6.917 1.00 0.63 H new ATOM 0 HD11 LEU A 28 -5.066 -7.501 -8.131 1.00 1.48 H new ATOM 0 HD12 LEU A 28 -4.871 -8.829 -6.963 1.00 1.48 H new ATOM 0 HD13 LEU A 28 -5.007 -9.185 -8.702 1.00 1.48 H new ATOM 0 HD21 LEU A 28 -7.176 -7.013 -9.149 1.00 1.55 H new ATOM 0 HD22 LEU A 28 -7.278 -8.635 -9.874 1.00 1.55 H new ATOM 0 HD23 LEU A 28 -8.611 -8.026 -8.865 1.00 1.55 H new ATOM 415 N LYS A 29 -8.043 -13.222 -7.787 1.00 0.67 N ATOM 416 CA LYS A 29 -8.008 -14.628 -7.393 1.00 0.77 C ATOM 417 C LYS A 29 -7.396 -15.527 -8.481 1.00 0.75 C ATOM 418 O LYS A 29 -7.020 -16.662 -8.208 1.00 0.80 O ATOM 419 CB LYS A 29 -9.376 -15.124 -6.885 1.00 1.00 C ATOM 420 CG LYS A 29 -9.230 -16.252 -5.837 1.00 1.01 C ATOM 421 CD LYS A 29 -10.118 -16.027 -4.597 1.00 1.22 C ATOM 422 CE LYS A 29 -11.543 -16.573 -4.759 1.00 1.53 C ATOM 423 NZ LYS A 29 -11.603 -18.024 -4.489 1.00 3.06 N ATOM 0 H LYS A 29 -8.981 -12.820 -7.788 1.00 0.67 H new ATOM 0 HA LYS A 29 -7.332 -14.702 -6.541 1.00 0.77 H new ATOM 0 HB2 LYS A 29 -9.924 -14.290 -6.446 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -9.966 -15.486 -7.727 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -9.489 -17.206 -6.297 1.00 1.01 H new ATOM 0 HG3 LYS A 29 -8.188 -16.321 -5.525 1.00 1.01 H new ATOM 0 HD2 LYS A 29 -9.651 -16.502 -3.734 1.00 1.22 H new ATOM 0 HD3 LYS A 29 -10.168 -14.959 -4.385 1.00 1.22 H new ATOM 0 HE2 LYS A 29 -12.214 -16.048 -4.079 1.00 1.53 H new ATOM 0 HE3 LYS A 29 -11.896 -16.376 -5.771 1.00 1.53 H new ATOM 0 HZ1 LYS A 29 -12.580 -18.359 -4.608 1.00 3.06 H new ATOM 0 HZ2 LYS A 29 -10.981 -18.527 -5.154 1.00 3.06 H new ATOM 0 HZ3 LYS A 29 -11.290 -18.209 -3.515 1.00 3.06 H new ATOM 437 N ARG A 30 -7.311 -15.023 -9.715 1.00 0.72 N ATOM 438 CA ARG A 30 -6.657 -15.673 -10.842 1.00 0.74 C ATOM 439 C ARG A 30 -5.126 -15.749 -10.700 1.00 0.66 C ATOM 440 O ARG A 30 -4.496 -16.542 -11.397 1.00 0.76 O ATOM 441 CB ARG A 30 -7.056 -14.910 -12.117 1.00 0.81 C ATOM 442 CG ARG A 30 -7.150 -15.828 -13.346 1.00 1.04 C ATOM 443 CD ARG A 30 -7.943 -15.163 -14.488 1.00 1.43 C ATOM 444 NE ARG A 30 -7.107 -14.818 -15.650 1.00 2.41 N ATOM 445 CZ ARG A 30 -6.727 -15.683 -16.606 1.00 2.55 C ATOM 446 NH1 ARG A 30 -6.917 -16.994 -16.424 1.00 2.94 N ATOM 447 NH2 ARG A 30 -6.171 -15.234 -17.736 1.00 3.63 N ATOM 0 H ARG A 30 -7.712 -14.118 -9.960 1.00 0.72 H new ATOM 0 HA ARG A 30 -6.989 -16.710 -10.886 1.00 0.74 H new ATOM 0 HB2 ARG A 30 -8.017 -14.421 -11.958 1.00 0.81 H new ATOM 0 HB3 ARG A 30 -6.326 -14.124 -12.310 1.00 0.81 H new ATOM 0 HG2 ARG A 30 -6.147 -16.076 -13.694 1.00 1.04 H new ATOM 0 HG3 ARG A 30 -7.631 -16.765 -13.066 1.00 1.04 H new ATOM 0 HD2 ARG A 30 -8.739 -15.835 -14.808 1.00 1.43 H new ATOM 0 HD3 ARG A 30 -8.421 -14.259 -14.111 1.00 1.43 H new ATOM 0 HE ARG A 30 -6.793 -13.851 -15.736 1.00 2.41 H new ATOM 0 HH11 ARG A 30 -7.348 -17.332 -15.564 1.00 2.94 H new ATOM 0 HH12 ARG A 30 -6.631 -17.656 -17.146 1.00 2.94 H new ATOM 0 HH21 ARG A 30 -6.034 -14.233 -17.874 1.00 3.63 H new ATOM 0 HH22 ARG A 30 -5.884 -15.893 -18.460 1.00 3.63 H new ATOM 461 N MET A 31 -4.511 -14.906 -9.861 1.00 0.57 N ATOM 462 CA MET A 31 -3.062 -14.913 -9.637 1.00 0.56 C ATOM 463 C MET A 31 -2.664 -16.143 -8.804 1.00 0.60 C ATOM 464 O MET A 31 -3.523 -16.728 -8.155 1.00 0.76 O ATOM 465 CB MET A 31 -2.669 -13.595 -8.952 1.00 0.51 C ATOM 466 CG MET A 31 -2.974 -12.363 -9.824 1.00 0.68 C ATOM 467 SD MET A 31 -1.544 -11.515 -10.556 1.00 1.15 S ATOM 468 CE MET A 31 -0.990 -12.733 -11.772 1.00 1.33 C ATOM 0 H MET A 31 -5.006 -14.199 -9.318 1.00 0.57 H new ATOM 0 HA MET A 31 -2.525 -14.984 -10.583 1.00 0.56 H new ATOM 0 HB2 MET A 31 -3.203 -13.508 -8.006 1.00 0.51 H new ATOM 0 HB3 MET A 31 -1.605 -13.615 -8.717 1.00 0.51 H new ATOM 0 HG2 MET A 31 -3.638 -12.672 -10.632 1.00 0.68 H new ATOM 0 HG3 MET A 31 -3.524 -11.643 -9.218 1.00 0.68 H new ATOM 0 HE1 MET A 31 -0.387 -12.238 -12.534 1.00 1.33 H new ATOM 0 HE2 MET A 31 -0.392 -13.497 -11.275 1.00 1.33 H new ATOM 0 HE3 MET A 31 -1.857 -13.199 -12.241 1.00 1.33 H new ATOM 478 N PRO A 32 -1.387 -16.567 -8.801 1.00 0.72 N ATOM 479 CA PRO A 32 -0.960 -17.717 -8.018 1.00 0.79 C ATOM 480 C PRO A 32 -0.839 -17.365 -6.533 1.00 0.74 C ATOM 481 O PRO A 32 -1.323 -18.108 -5.686 1.00 1.16 O ATOM 482 CB PRO A 32 0.376 -18.154 -8.620 1.00 1.00 C ATOM 483 CG PRO A 32 0.947 -16.866 -9.211 1.00 1.04 C ATOM 484 CD PRO A 32 -0.298 -16.083 -9.637 1.00 0.90 C ATOM 0 HA PRO A 32 -1.688 -18.527 -8.060 1.00 0.79 H new ATOM 0 HB2 PRO A 32 1.038 -18.575 -7.863 1.00 1.00 H new ATOM 0 HB3 PRO A 32 0.239 -18.919 -9.384 1.00 1.00 H new ATOM 0 HG2 PRO A 32 1.536 -16.315 -8.478 1.00 1.04 H new ATOM 0 HG3 PRO A 32 1.602 -17.069 -10.058 1.00 1.04 H new ATOM 0 HD2 PRO A 32 -0.150 -15.012 -9.501 1.00 0.90 H new ATOM 0 HD3 PRO A 32 -0.517 -16.243 -10.693 1.00 0.90 H new ATOM 492 N GLY A 33 -0.213 -16.228 -6.204 1.00 0.72 N ATOM 493 CA GLY A 33 0.118 -15.901 -4.823 1.00 0.68 C ATOM 494 C GLY A 33 -1.107 -15.556 -3.985 1.00 0.64 C ATOM 495 O GLY A 33 -1.022 -15.478 -2.760 1.00 0.71 O ATOM 0 H GLY A 33 0.073 -15.521 -6.882 1.00 0.72 H new ATOM 0 HA2 GLY A 33 0.636 -16.746 -4.369 1.00 0.68 H new ATOM 0 HA3 GLY A 33 0.810 -15.059 -4.810 1.00 0.68 H new ATOM 499 N VAL A 34 -2.230 -15.258 -4.643 1.00 0.60 N ATOM 500 CA VAL A 34 -3.448 -14.846 -3.979 1.00 0.62 C ATOM 501 C VAL A 34 -3.959 -15.957 -3.068 1.00 0.71 C ATOM 502 O VAL A 34 -4.113 -17.098 -3.496 1.00 1.07 O ATOM 503 CB VAL A 34 -4.468 -14.376 -5.022 1.00 0.64 C ATOM 504 CG1 VAL A 34 -5.005 -15.576 -5.808 1.00 2.22 C ATOM 505 CG2 VAL A 34 -5.588 -13.520 -4.405 1.00 1.76 C ATOM 0 H VAL A 34 -2.310 -15.299 -5.659 1.00 0.60 H new ATOM 0 HA VAL A 34 -3.256 -13.995 -3.326 1.00 0.62 H new ATOM 0 HB VAL A 34 -3.958 -13.717 -5.724 1.00 0.64 H new ATOM 0 HG11 VAL A 34 -5.729 -15.232 -6.547 1.00 2.22 H new ATOM 0 HG12 VAL A 34 -4.180 -16.078 -6.314 1.00 2.22 H new ATOM 0 HG13 VAL A 34 -5.488 -16.273 -5.123 1.00 2.22 H new ATOM 0 HG21 VAL A 34 -6.284 -13.213 -5.186 1.00 1.76 H new ATOM 0 HG22 VAL A 34 -6.120 -14.104 -3.654 1.00 1.76 H new ATOM 0 HG23 VAL A 34 -5.155 -12.636 -3.937 1.00 1.76 H new ATOM 515 N THR A 35 -4.217 -15.618 -1.805 1.00 0.48 N ATOM 516 CA THR A 35 -4.863 -16.528 -0.884 1.00 0.50 C ATOM 517 C THR A 35 -6.351 -16.232 -0.882 1.00 0.51 C ATOM 518 O THR A 35 -7.153 -17.143 -1.083 1.00 0.61 O ATOM 519 CB THR A 35 -4.215 -16.439 0.495 1.00 0.56 C ATOM 520 OG1 THR A 35 -2.925 -16.992 0.357 1.00 0.72 O ATOM 521 CG2 THR A 35 -4.946 -17.269 1.551 1.00 0.75 C ATOM 0 H THR A 35 -3.983 -14.711 -1.402 1.00 0.48 H new ATOM 0 HA THR A 35 -4.734 -17.564 -1.199 1.00 0.50 H new ATOM 0 HB THR A 35 -4.228 -15.399 0.821 1.00 0.56 H new ATOM 0 HG1 THR A 35 -2.650 -17.397 1.206 1.00 0.72 H new ATOM 0 HG21 THR A 35 -4.439 -17.166 2.510 1.00 0.75 H new ATOM 0 HG22 THR A 35 -5.973 -16.916 1.644 1.00 0.75 H new ATOM 0 HG23 THR A 35 -4.948 -18.317 1.253 1.00 0.75 H new ATOM 529 N ASP A 36 -6.725 -14.961 -0.693 1.00 0.47 N ATOM 530 CA ASP A 36 -8.119 -14.576 -0.759 1.00 0.56 C ATOM 531 C ASP A 36 -8.227 -13.115 -1.180 1.00 0.54 C ATOM 532 O ASP A 36 -7.272 -12.351 -1.059 1.00 0.99 O ATOM 533 CB ASP A 36 -8.805 -14.858 0.582 1.00 0.69 C ATOM 534 CG ASP A 36 -10.315 -14.680 0.483 1.00 0.91 C ATOM 535 OD1 ASP A 36 -10.825 -14.725 -0.660 1.00 2.26 O ATOM 536 OD2 ASP A 36 -10.939 -14.466 1.544 1.00 1.91 O ATOM 0 H ASP A 36 -6.080 -14.196 -0.495 1.00 0.47 H new ATOM 0 HA ASP A 36 -8.638 -15.170 -1.512 1.00 0.56 H new ATOM 0 HB2 ASP A 36 -8.577 -15.875 0.902 1.00 0.69 H new ATOM 0 HB3 ASP A 36 -8.407 -14.187 1.344 1.00 0.69 H new ATOM 541 N ALA A 37 -9.381 -12.741 -1.720 1.00 0.51 N ATOM 542 CA ALA A 37 -9.673 -11.402 -2.192 1.00 0.46 C ATOM 543 C ALA A 37 -11.060 -11.057 -1.674 1.00 0.53 C ATOM 544 O ALA A 37 -11.995 -11.825 -1.885 1.00 0.72 O ATOM 545 CB ALA A 37 -9.590 -11.362 -3.720 1.00 0.55 C ATOM 0 H ALA A 37 -10.162 -13.386 -1.843 1.00 0.51 H new ATOM 0 HA ALA A 37 -8.954 -10.668 -1.829 1.00 0.46 H new ATOM 0 HB1 ALA A 37 -9.810 -10.354 -4.070 1.00 0.55 H new ATOM 0 HB2 ALA A 37 -8.586 -11.645 -4.037 1.00 0.55 H new ATOM 0 HB3 ALA A 37 -10.314 -12.059 -4.142 1.00 0.55 H new ATOM 551 N ASN A 38 -11.179 -9.956 -0.932 1.00 0.47 N ATOM 552 CA ASN A 38 -12.423 -9.555 -0.299 1.00 0.58 C ATOM 553 C ASN A 38 -12.695 -8.104 -0.670 1.00 0.44 C ATOM 554 O ASN A 38 -11.764 -7.312 -0.794 1.00 0.45 O ATOM 555 CB ASN A 38 -12.322 -9.669 1.227 1.00 0.77 C ATOM 556 CG ASN A 38 -11.864 -11.026 1.757 1.00 1.19 C ATOM 557 OD1 ASN A 38 -11.261 -11.084 2.824 1.00 2.62 O ATOM 558 ND2 ASN A 38 -12.133 -12.114 1.043 1.00 0.85 N ATOM 0 H ASN A 38 -10.405 -9.316 -0.755 1.00 0.47 H new ATOM 0 HA ASN A 38 -13.227 -10.207 -0.640 1.00 0.58 H new ATOM 0 HB2 ASN A 38 -11.631 -8.906 1.586 1.00 0.77 H new ATOM 0 HB3 ASN A 38 -13.298 -9.442 1.656 1.00 0.77 H new ATOM 0 HD21 ASN A 38 -11.836 -13.030 1.378 1.00 0.85 H new ATOM 0 HD22 ASN A 38 -12.636 -12.033 0.160 1.00 0.85 H new ATOM 565 N VAL A 39 -13.961 -7.736 -0.824 1.00 0.47 N ATOM 566 CA VAL A 39 -14.366 -6.376 -1.118 1.00 0.45 C ATOM 567 C VAL A 39 -15.528 -5.975 -0.215 1.00 0.57 C ATOM 568 O VAL A 39 -16.680 -6.366 -0.405 1.00 0.78 O ATOM 569 CB VAL A 39 -14.609 -6.275 -2.630 1.00 0.76 C ATOM 570 CG1 VAL A 39 -15.909 -6.957 -3.078 1.00 1.21 C ATOM 571 CG2 VAL A 39 -14.547 -4.825 -3.108 1.00 0.65 C ATOM 0 H VAL A 39 -14.743 -8.387 -0.746 1.00 0.47 H new ATOM 0 HA VAL A 39 -13.594 -5.641 -0.889 1.00 0.45 H new ATOM 0 HB VAL A 39 -13.797 -6.825 -3.107 1.00 0.76 H new ATOM 0 HG11 VAL A 39 -16.023 -6.850 -4.157 1.00 1.21 H new ATOM 0 HG12 VAL A 39 -15.872 -8.015 -2.820 1.00 1.21 H new ATOM 0 HG13 VAL A 39 -16.756 -6.490 -2.576 1.00 1.21 H new ATOM 0 HG21 VAL A 39 -14.723 -4.788 -4.183 1.00 0.65 H new ATOM 0 HG22 VAL A 39 -15.310 -4.240 -2.595 1.00 0.65 H new ATOM 0 HG23 VAL A 39 -13.563 -4.411 -2.887 1.00 0.65 H new ATOM 581 N ASN A 40 -15.234 -5.130 0.773 1.00 0.58 N ATOM 582 CA ASN A 40 -16.233 -4.552 1.647 1.00 0.79 C ATOM 583 C ASN A 40 -16.853 -3.400 0.869 1.00 0.74 C ATOM 584 O ASN A 40 -16.660 -2.229 1.185 1.00 0.69 O ATOM 585 CB ASN A 40 -15.591 -4.100 2.972 1.00 0.93 C ATOM 586 CG ASN A 40 -15.791 -5.133 4.073 1.00 1.23 C ATOM 587 OD1 ASN A 40 -14.922 -5.954 4.338 1.00 1.99 O ATOM 588 ND2 ASN A 40 -16.949 -5.098 4.732 1.00 1.46 N ATOM 0 H ASN A 40 -14.282 -4.829 0.984 1.00 0.58 H new ATOM 0 HA ASN A 40 -17.004 -5.270 1.928 1.00 0.79 H new ATOM 0 HB2 ASN A 40 -14.525 -3.930 2.821 1.00 0.93 H new ATOM 0 HB3 ASN A 40 -16.025 -3.149 3.281 1.00 0.93 H new ATOM 0 HD21 ASN A 40 -17.130 -5.767 5.480 1.00 1.46 H new ATOM 0 HD22 ASN A 40 -17.654 -4.402 4.488 1.00 1.46 H new ATOM 595 N LEU A 41 -17.643 -3.754 -0.149 1.00 0.81 N ATOM 596 CA LEU A 41 -18.416 -2.815 -0.952 1.00 0.83 C ATOM 597 C LEU A 41 -19.379 -1.990 -0.095 1.00 0.87 C ATOM 598 O LEU A 41 -19.781 -0.901 -0.487 1.00 0.96 O ATOM 599 CB LEU A 41 -19.084 -3.545 -2.129 1.00 0.96 C ATOM 600 CG LEU A 41 -20.142 -4.599 -1.776 1.00 1.28 C ATOM 601 CD1 LEU A 41 -21.485 -3.972 -1.378 1.00 1.56 C ATOM 602 CD2 LEU A 41 -20.353 -5.517 -2.987 1.00 1.51 C ATOM 0 H LEU A 41 -17.762 -4.724 -0.440 1.00 0.81 H new ATOM 0 HA LEU A 41 -17.740 -2.080 -1.390 1.00 0.83 H new ATOM 0 HB2 LEU A 41 -19.549 -2.798 -2.772 1.00 0.96 H new ATOM 0 HB3 LEU A 41 -18.304 -4.030 -2.716 1.00 0.96 H new ATOM 0 HG LEU A 41 -19.777 -5.161 -0.917 1.00 1.28 H new ATOM 0 HD11 LEU A 41 -22.198 -4.761 -1.138 1.00 1.56 H new ATOM 0 HD12 LEU A 41 -21.344 -3.333 -0.506 1.00 1.56 H new ATOM 0 HD13 LEU A 41 -21.868 -3.376 -2.206 1.00 1.56 H new ATOM 0 HD21 LEU A 41 -21.103 -6.270 -2.746 1.00 1.51 H new ATOM 0 HD22 LEU A 41 -20.692 -4.925 -3.837 1.00 1.51 H new ATOM 0 HD23 LEU A 41 -19.413 -6.009 -3.239 1.00 1.51 H new ATOM 614 N ALA A 42 -19.689 -2.476 1.111 1.00 0.91 N ATOM 615 CA ALA A 42 -20.465 -1.744 2.098 1.00 0.96 C ATOM 616 C ALA A 42 -19.776 -0.438 2.504 1.00 0.81 C ATOM 617 O ALA A 42 -20.451 0.508 2.898 1.00 0.91 O ATOM 618 CB ALA A 42 -20.686 -2.631 3.327 1.00 1.11 C ATOM 0 H ALA A 42 -19.401 -3.402 1.426 1.00 0.91 H new ATOM 0 HA ALA A 42 -21.425 -1.481 1.654 1.00 0.96 H new ATOM 0 HB1 ALA A 42 -21.268 -2.085 4.070 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -21.226 -3.531 3.034 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -19.722 -2.908 3.754 1.00 1.11 H new ATOM 624 N THR A 43 -18.439 -0.405 2.448 1.00 0.67 N ATOM 625 CA THR A 43 -17.636 0.771 2.768 1.00 0.64 C ATOM 626 C THR A 43 -16.636 1.090 1.643 1.00 0.57 C ATOM 627 O THR A 43 -15.750 1.920 1.827 1.00 0.67 O ATOM 628 CB THR A 43 -16.945 0.546 4.123 1.00 0.74 C ATOM 629 OG1 THR A 43 -16.270 -0.695 4.128 1.00 0.77 O ATOM 630 CG2 THR A 43 -17.965 0.523 5.266 1.00 0.93 C ATOM 0 H THR A 43 -17.879 -1.212 2.173 1.00 0.67 H new ATOM 0 HA THR A 43 -18.281 1.646 2.849 1.00 0.64 H new ATOM 0 HB THR A 43 -16.244 1.368 4.268 1.00 0.74 H new ATOM 0 HG1 THR A 43 -15.833 -0.826 4.995 1.00 0.77 H new ATOM 0 HG21 THR A 43 -17.448 0.362 6.212 1.00 0.93 H new ATOM 0 HG22 THR A 43 -18.495 1.475 5.300 1.00 0.93 H new ATOM 0 HG23 THR A 43 -18.678 -0.284 5.101 1.00 0.93 H new ATOM 638 N GLU A 44 -16.794 0.447 0.479 1.00 0.53 N ATOM 639 CA GLU A 44 -15.950 0.602 -0.699 1.00 0.51 C ATOM 640 C GLU A 44 -14.467 0.331 -0.409 1.00 0.48 C ATOM 641 O GLU A 44 -13.603 1.065 -0.887 1.00 0.69 O ATOM 642 CB GLU A 44 -16.196 1.969 -1.358 1.00 0.61 C ATOM 643 CG GLU A 44 -17.634 2.088 -1.879 1.00 0.87 C ATOM 644 CD GLU A 44 -17.878 3.462 -2.492 1.00 1.06 C ATOM 645 OE1 GLU A 44 -17.514 3.628 -3.676 1.00 1.61 O ATOM 646 OE2 GLU A 44 -18.412 4.322 -1.759 1.00 1.91 O ATOM 0 H GLU A 44 -17.549 -0.224 0.333 1.00 0.53 H new ATOM 0 HA GLU A 44 -16.237 -0.165 -1.418 1.00 0.51 H new ATOM 0 HB2 GLU A 44 -16.002 2.763 -0.637 1.00 0.61 H new ATOM 0 HB3 GLU A 44 -15.496 2.109 -2.182 1.00 0.61 H new ATOM 0 HG2 GLU A 44 -17.820 1.315 -2.624 1.00 0.87 H new ATOM 0 HG3 GLU A 44 -18.336 1.920 -1.062 1.00 0.87 H new ATOM 653 N THR A 45 -14.161 -0.752 0.318 1.00 0.39 N ATOM 654 CA THR A 45 -12.822 -1.064 0.778 1.00 0.38 C ATOM 655 C THR A 45 -12.469 -2.453 0.237 1.00 0.32 C ATOM 656 O THR A 45 -13.080 -3.443 0.636 1.00 0.40 O ATOM 657 CB THR A 45 -12.844 -0.962 2.311 1.00 0.54 C ATOM 658 OG1 THR A 45 -12.744 0.396 2.702 1.00 0.82 O ATOM 659 CG2 THR A 45 -11.723 -1.751 2.963 1.00 0.58 C ATOM 0 H THR A 45 -14.857 -1.441 0.602 1.00 0.39 H new ATOM 0 HA THR A 45 -12.050 -0.382 0.421 1.00 0.38 H new ATOM 0 HB THR A 45 -13.789 -1.389 2.646 1.00 0.54 H new ATOM 0 HG1 THR A 45 -11.804 0.622 2.863 1.00 0.82 H new ATOM 0 HG21 THR A 45 -11.785 -1.645 4.046 1.00 0.58 H new ATOM 0 HG22 THR A 45 -11.816 -2.804 2.696 1.00 0.58 H new ATOM 0 HG23 THR A 45 -10.762 -1.372 2.616 1.00 0.58 H new ATOM 667 N VAL A 46 -11.521 -2.534 -0.702 1.00 0.26 N ATOM 668 CA VAL A 46 -10.996 -3.779 -1.230 1.00 0.24 C ATOM 669 C VAL A 46 -9.862 -4.246 -0.316 1.00 0.28 C ATOM 670 O VAL A 46 -8.906 -3.507 -0.089 1.00 0.37 O ATOM 671 CB VAL A 46 -10.576 -3.594 -2.702 1.00 0.27 C ATOM 672 CG1 VAL A 46 -9.452 -2.579 -2.958 1.00 0.34 C ATOM 673 CG2 VAL A 46 -10.152 -4.933 -3.299 1.00 0.41 C ATOM 0 H VAL A 46 -11.092 -1.709 -1.121 1.00 0.26 H new ATOM 0 HA VAL A 46 -11.754 -4.562 -1.238 1.00 0.24 H new ATOM 0 HB VAL A 46 -11.467 -3.187 -3.181 1.00 0.27 H new ATOM 0 HG11 VAL A 46 -9.241 -2.532 -4.026 1.00 0.34 H new ATOM 0 HG12 VAL A 46 -9.763 -1.595 -2.606 1.00 0.34 H new ATOM 0 HG13 VAL A 46 -8.554 -2.888 -2.424 1.00 0.34 H new ATOM 0 HG21 VAL A 46 -9.857 -4.791 -4.339 1.00 0.41 H new ATOM 0 HG22 VAL A 46 -9.310 -5.333 -2.735 1.00 0.41 H new ATOM 0 HG23 VAL A 46 -10.986 -5.633 -3.251 1.00 0.41 H new ATOM 683 N ASN A 47 -9.982 -5.463 0.214 1.00 0.30 N ATOM 684 CA ASN A 47 -9.012 -6.088 1.098 1.00 0.34 C ATOM 685 C ASN A 47 -8.478 -7.331 0.395 1.00 0.35 C ATOM 686 O ASN A 47 -9.221 -8.298 0.222 1.00 0.37 O ATOM 687 CB ASN A 47 -9.666 -6.490 2.428 1.00 0.44 C ATOM 688 CG ASN A 47 -10.126 -5.309 3.273 1.00 1.67 C ATOM 689 OD1 ASN A 47 -9.844 -4.159 2.966 1.00 2.93 O ATOM 690 ND2 ASN A 47 -10.846 -5.580 4.357 1.00 2.22 N ATOM 0 H ASN A 47 -10.789 -6.059 0.029 1.00 0.30 H new ATOM 0 HA ASN A 47 -8.207 -5.387 1.318 1.00 0.34 H new ATOM 0 HB2 ASN A 47 -10.523 -7.131 2.221 1.00 0.44 H new ATOM 0 HB3 ASN A 47 -8.957 -7.083 3.006 1.00 0.44 H new ATOM 0 HD21 ASN A 47 -11.176 -4.821 4.953 1.00 2.22 H new ATOM 0 HD22 ASN A 47 -11.069 -6.547 4.593 1.00 2.22 H new ATOM 697 N VAL A 48 -7.212 -7.319 -0.029 1.00 0.38 N ATOM 698 CA VAL A 48 -6.625 -8.435 -0.774 1.00 0.39 C ATOM 699 C VAL A 48 -5.550 -9.118 0.075 1.00 0.43 C ATOM 700 O VAL A 48 -4.714 -8.428 0.664 1.00 0.45 O ATOM 701 CB VAL A 48 -6.089 -7.979 -2.146 1.00 0.38 C ATOM 702 CG1 VAL A 48 -6.025 -9.180 -3.101 1.00 0.41 C ATOM 703 CG2 VAL A 48 -6.984 -6.920 -2.803 1.00 0.40 C ATOM 0 H VAL A 48 -6.570 -6.543 0.132 1.00 0.38 H new ATOM 0 HA VAL A 48 -7.404 -9.169 -0.982 1.00 0.39 H new ATOM 0 HB VAL A 48 -5.103 -7.549 -1.968 1.00 0.38 H new ATOM 0 HG11 VAL A 48 -5.646 -8.855 -4.070 1.00 0.41 H new ATOM 0 HG12 VAL A 48 -5.361 -9.939 -2.687 1.00 0.41 H new ATOM 0 HG13 VAL A 48 -7.023 -9.600 -3.225 1.00 0.41 H new ATOM 0 HG21 VAL A 48 -6.562 -6.633 -3.766 1.00 0.40 H new ATOM 0 HG22 VAL A 48 -7.983 -7.330 -2.952 1.00 0.40 H new ATOM 0 HG23 VAL A 48 -7.044 -6.043 -2.158 1.00 0.40 H new ATOM 713 N ILE A 49 -5.580 -10.459 0.137 1.00 0.48 N ATOM 714 CA ILE A 49 -4.668 -11.282 0.915 1.00 0.53 C ATOM 715 C ILE A 49 -3.918 -12.209 -0.057 1.00 0.50 C ATOM 716 O ILE A 49 -4.536 -13.049 -0.715 1.00 0.44 O ATOM 717 CB ILE A 49 -5.431 -12.096 1.983 1.00 0.58 C ATOM 718 CG1 ILE A 49 -6.348 -11.241 2.882 1.00 0.60 C ATOM 719 CG2 ILE A 49 -4.409 -12.812 2.882 1.00 0.70 C ATOM 720 CD1 ILE A 49 -7.763 -11.014 2.339 1.00 1.76 C ATOM 0 H ILE A 49 -6.269 -11.010 -0.375 1.00 0.48 H new ATOM 0 HA ILE A 49 -3.958 -10.650 1.448 1.00 0.53 H new ATOM 0 HB ILE A 49 -6.071 -12.794 1.443 1.00 0.58 H new ATOM 0 HG12 ILE A 49 -6.423 -11.720 3.858 1.00 0.60 H new ATOM 0 HG13 ILE A 49 -5.876 -10.271 3.038 1.00 0.60 H new ATOM 0 HG21 ILE A 49 -4.935 -13.391 3.641 1.00 0.70 H new ATOM 0 HG22 ILE A 49 -3.796 -13.480 2.276 1.00 0.70 H new ATOM 0 HG23 ILE A 49 -3.770 -12.073 3.367 1.00 0.70 H new ATOM 0 HD11 ILE A 49 -8.329 -10.403 3.042 1.00 1.76 H new ATOM 0 HD12 ILE A 49 -7.706 -10.503 1.378 1.00 1.76 H new ATOM 0 HD13 ILE A 49 -8.262 -11.975 2.210 1.00 1.76 H new ATOM 732 N TYR A 50 -2.598 -12.060 -0.183 1.00 0.56 N ATOM 733 CA TYR A 50 -1.780 -12.792 -1.151 1.00 0.55 C ATOM 734 C TYR A 50 -0.343 -12.855 -0.639 1.00 0.63 C ATOM 735 O TYR A 50 0.018 -12.105 0.274 1.00 0.76 O ATOM 736 CB TYR A 50 -1.802 -12.069 -2.504 1.00 0.54 C ATOM 737 CG TYR A 50 -1.334 -10.643 -2.411 1.00 0.54 C ATOM 738 CD1 TYR A 50 0.033 -10.313 -2.474 1.00 1.74 C ATOM 739 CD2 TYR A 50 -2.284 -9.661 -2.107 1.00 1.68 C ATOM 740 CE1 TYR A 50 0.453 -9.028 -2.099 1.00 1.72 C ATOM 741 CE2 TYR A 50 -1.869 -8.367 -1.803 1.00 1.67 C ATOM 742 CZ TYR A 50 -0.502 -8.076 -1.708 1.00 0.47 C ATOM 743 OH TYR A 50 -0.093 -6.899 -1.154 1.00 0.66 O ATOM 0 H TYR A 50 -2.058 -11.416 0.395 1.00 0.56 H new ATOM 0 HA TYR A 50 -2.178 -13.799 -1.275 1.00 0.55 H new ATOM 0 HB2 TYR A 50 -1.170 -12.609 -3.209 1.00 0.54 H new ATOM 0 HB3 TYR A 50 -2.816 -12.088 -2.905 1.00 0.54 H new ATOM 0 HD1 TYR A 50 0.754 -11.044 -2.809 1.00 1.74 H new ATOM 0 HD2 TYR A 50 -3.336 -9.906 -2.108 1.00 1.68 H new ATOM 0 HE1 TYR A 50 1.502 -8.773 -2.111 1.00 1.72 H new ATOM 0 HE2 TYR A 50 -2.600 -7.589 -1.641 1.00 1.67 H new ATOM 0 HH TYR A 50 -0.519 -6.784 -0.279 1.00 0.66 H new ATOM 753 N ASP A 51 0.488 -13.699 -1.261 1.00 0.63 N ATOM 754 CA ASP A 51 1.841 -13.937 -0.781 1.00 0.67 C ATOM 755 C ASP A 51 2.784 -12.850 -1.295 1.00 0.68 C ATOM 756 O ASP A 51 2.850 -12.634 -2.511 1.00 0.69 O ATOM 757 CB ASP A 51 2.353 -15.319 -1.218 1.00 0.79 C ATOM 758 CG ASP A 51 3.212 -15.907 -0.108 1.00 0.97 C ATOM 759 OD1 ASP A 51 4.410 -15.553 -0.077 1.00 2.07 O ATOM 760 OD2 ASP A 51 2.636 -16.638 0.731 1.00 2.03 O ATOM 0 H ASP A 51 0.241 -14.226 -2.098 1.00 0.63 H new ATOM 0 HA ASP A 51 1.818 -13.909 0.308 1.00 0.67 H new ATOM 0 HB2 ASP A 51 1.513 -15.980 -1.434 1.00 0.79 H new ATOM 0 HB3 ASP A 51 2.934 -15.232 -2.136 1.00 0.79 H new ATOM 765 N PRO A 52 3.558 -12.169 -0.434 1.00 0.72 N ATOM 766 CA PRO A 52 4.533 -11.178 -0.869 1.00 0.74 C ATOM 767 C PRO A 52 5.783 -11.822 -1.491 1.00 0.74 C ATOM 768 O PRO A 52 6.891 -11.331 -1.276 1.00 0.83 O ATOM 769 CB PRO A 52 4.865 -10.370 0.391 1.00 0.84 C ATOM 770 CG PRO A 52 4.646 -11.370 1.528 1.00 0.88 C ATOM 771 CD PRO A 52 3.527 -12.277 1.018 1.00 0.81 C ATOM 0 HA PRO A 52 4.134 -10.545 -1.661 1.00 0.74 H new ATOM 0 HB2 PRO A 52 5.891 -10.002 0.373 1.00 0.84 H new ATOM 0 HB3 PRO A 52 4.216 -9.500 0.492 1.00 0.84 H new ATOM 0 HG2 PRO A 52 5.553 -11.937 1.740 1.00 0.88 H new ATOM 0 HG3 PRO A 52 4.361 -10.867 2.452 1.00 0.88 H new ATOM 0 HD2 PRO A 52 3.683 -13.308 1.337 1.00 0.81 H new ATOM 0 HD3 PRO A 52 2.560 -11.965 1.413 1.00 0.81 H new ATOM 779 N ALA A 53 5.623 -12.882 -2.288 1.00 0.71 N ATOM 780 CA ALA A 53 6.741 -13.576 -2.922 1.00 0.74 C ATOM 781 C ALA A 53 6.303 -14.414 -4.115 1.00 0.73 C ATOM 782 O ALA A 53 6.952 -15.400 -4.461 1.00 0.99 O ATOM 783 CB ALA A 53 7.465 -14.455 -1.900 1.00 0.82 C ATOM 0 H ALA A 53 4.711 -13.282 -2.511 1.00 0.71 H new ATOM 0 HA ALA A 53 7.423 -12.812 -3.296 1.00 0.74 H new ATOM 0 HB1 ALA A 53 8.296 -14.967 -2.385 1.00 0.82 H new ATOM 0 HB2 ALA A 53 7.845 -13.833 -1.089 1.00 0.82 H new ATOM 0 HB3 ALA A 53 6.770 -15.192 -1.497 1.00 0.82 H new ATOM 789 N GLU A 54 5.227 -13.973 -4.758 1.00 0.78 N ATOM 790 CA GLU A 54 4.699 -14.556 -5.974 1.00 0.77 C ATOM 791 C GLU A 54 4.048 -13.467 -6.823 1.00 0.75 C ATOM 792 O GLU A 54 4.281 -13.392 -8.025 1.00 0.91 O ATOM 793 CB GLU A 54 3.657 -15.630 -5.650 1.00 0.75 C ATOM 794 CG GLU A 54 4.263 -16.909 -5.070 1.00 0.79 C ATOM 795 CD GLU A 54 3.298 -18.074 -5.235 1.00 0.85 C ATOM 796 OE1 GLU A 54 3.144 -18.511 -6.396 1.00 1.89 O ATOM 797 OE2 GLU A 54 2.713 -18.482 -4.211 1.00 1.64 O ATOM 0 H GLU A 54 4.685 -13.173 -4.432 1.00 0.78 H new ATOM 0 HA GLU A 54 5.521 -15.015 -6.523 1.00 0.77 H new ATOM 0 HB2 GLU A 54 2.936 -15.224 -4.940 1.00 0.75 H new ATOM 0 HB3 GLU A 54 3.106 -15.877 -6.558 1.00 0.75 H new ATOM 0 HG2 GLU A 54 5.204 -17.134 -5.572 1.00 0.79 H new ATOM 0 HG3 GLU A 54 4.492 -16.765 -4.014 1.00 0.79 H new ATOM 804 N THR A 55 3.204 -12.642 -6.191 1.00 0.62 N ATOM 805 CA THR A 55 2.312 -11.738 -6.891 1.00 0.62 C ATOM 806 C THR A 55 2.864 -10.314 -6.764 1.00 0.65 C ATOM 807 O THR A 55 3.529 -9.834 -7.679 1.00 0.73 O ATOM 808 CB THR A 55 0.893 -11.976 -6.352 1.00 0.57 C ATOM 809 OG1 THR A 55 0.437 -13.249 -6.768 1.00 0.59 O ATOM 810 CG2 THR A 55 -0.080 -10.919 -6.850 1.00 0.63 C ATOM 0 H THR A 55 3.128 -12.590 -5.175 1.00 0.62 H new ATOM 0 HA THR A 55 2.251 -11.915 -7.965 1.00 0.62 H new ATOM 0 HB THR A 55 0.936 -11.920 -5.264 1.00 0.57 H new ATOM 0 HG1 THR A 55 -0.467 -13.401 -6.423 1.00 0.59 H new ATOM 0 HG21 THR A 55 -1.073 -11.120 -6.448 1.00 0.63 H new ATOM 0 HG22 THR A 55 0.252 -9.935 -6.520 1.00 0.63 H new ATOM 0 HG23 THR A 55 -0.118 -10.943 -7.939 1.00 0.63 H new ATOM 818 N GLY A 56 2.639 -9.644 -5.629 1.00 0.62 N ATOM 819 CA GLY A 56 3.257 -8.369 -5.318 1.00 0.66 C ATOM 820 C GLY A 56 2.196 -7.280 -5.336 1.00 0.63 C ATOM 821 O GLY A 56 1.534 -7.078 -6.346 1.00 0.67 O ATOM 0 H GLY A 56 2.014 -9.983 -4.898 1.00 0.62 H new ATOM 0 HA2 GLY A 56 3.734 -8.412 -4.339 1.00 0.66 H new ATOM 0 HA3 GLY A 56 4.038 -8.144 -6.044 1.00 0.66 H new ATOM 825 N THR A 57 2.038 -6.584 -4.210 1.00 0.59 N ATOM 826 CA THR A 57 1.150 -5.429 -4.034 1.00 0.59 C ATOM 827 C THR A 57 1.063 -4.528 -5.279 1.00 0.65 C ATOM 828 O THR A 57 -0.029 -4.144 -5.695 1.00 0.67 O ATOM 829 CB THR A 57 1.545 -4.646 -2.773 1.00 0.62 C ATOM 830 OG1 THR A 57 0.674 -3.563 -2.540 1.00 0.78 O ATOM 831 CG2 THR A 57 2.984 -4.153 -2.839 1.00 0.69 C ATOM 0 H THR A 57 2.546 -6.818 -3.357 1.00 0.59 H new ATOM 0 HA THR A 57 0.140 -5.815 -3.899 1.00 0.59 H new ATOM 0 HB THR A 57 1.462 -5.342 -1.938 1.00 0.62 H new ATOM 0 HG1 THR A 57 1.127 -2.724 -2.767 1.00 0.78 H new ATOM 0 HG21 THR A 57 3.223 -3.604 -1.928 1.00 0.69 H new ATOM 0 HG22 THR A 57 3.657 -5.005 -2.936 1.00 0.69 H new ATOM 0 HG23 THR A 57 3.104 -3.496 -3.700 1.00 0.69 H new ATOM 839 N ALA A 58 2.201 -4.226 -5.907 1.00 0.71 N ATOM 840 CA ALA A 58 2.222 -3.419 -7.119 1.00 0.77 C ATOM 841 C ALA A 58 1.421 -4.095 -8.236 1.00 0.75 C ATOM 842 O ALA A 58 0.636 -3.446 -8.916 1.00 0.77 O ATOM 843 CB ALA A 58 3.670 -3.167 -7.546 1.00 0.84 C ATOM 0 H ALA A 58 3.121 -4.532 -5.591 1.00 0.71 H new ATOM 0 HA ALA A 58 1.749 -2.458 -6.916 1.00 0.77 H new ATOM 0 HB1 ALA A 58 3.682 -2.563 -8.453 1.00 0.84 H new ATOM 0 HB2 ALA A 58 4.197 -2.639 -6.751 1.00 0.84 H new ATOM 0 HB3 ALA A 58 4.164 -4.120 -7.738 1.00 0.84 H new ATOM 849 N ALA A 59 1.570 -5.407 -8.418 1.00 0.74 N ATOM 850 CA ALA A 59 0.782 -6.117 -9.410 1.00 0.75 C ATOM 851 C ALA A 59 -0.689 -6.157 -9.006 1.00 0.70 C ATOM 852 O ALA A 59 -1.563 -6.095 -9.864 1.00 0.72 O ATOM 853 CB ALA A 59 1.304 -7.532 -9.587 1.00 0.76 C ATOM 0 H ALA A 59 2.223 -5.990 -7.895 1.00 0.74 H new ATOM 0 HA ALA A 59 0.870 -5.583 -10.356 1.00 0.75 H new ATOM 0 HB1 ALA A 59 0.703 -8.051 -10.334 1.00 0.76 H new ATOM 0 HB2 ALA A 59 2.342 -7.498 -9.917 1.00 0.76 H new ATOM 0 HB3 ALA A 59 1.242 -8.064 -8.638 1.00 0.76 H new ATOM 859 N ILE A 60 -0.971 -6.276 -7.705 1.00 0.64 N ATOM 860 CA ILE A 60 -2.342 -6.261 -7.204 1.00 0.60 C ATOM 861 C ILE A 60 -3.006 -4.956 -7.646 1.00 0.61 C ATOM 862 O ILE A 60 -4.038 -4.965 -8.320 1.00 0.61 O ATOM 863 CB ILE A 60 -2.385 -6.400 -5.671 1.00 0.62 C ATOM 864 CG1 ILE A 60 -1.599 -7.606 -5.151 1.00 0.71 C ATOM 865 CG2 ILE A 60 -3.814 -6.419 -5.119 1.00 0.58 C ATOM 866 CD1 ILE A 60 -2.288 -8.951 -5.318 1.00 0.53 C ATOM 0 H ILE A 60 -0.262 -6.384 -6.980 1.00 0.64 H new ATOM 0 HA ILE A 60 -2.882 -7.113 -7.615 1.00 0.60 H new ATOM 0 HB ILE A 60 -1.891 -5.503 -5.298 1.00 0.62 H new ATOM 0 HG12 ILE A 60 -0.638 -7.642 -5.665 1.00 0.71 H new ATOM 0 HG13 ILE A 60 -1.389 -7.453 -4.093 1.00 0.71 H new ATOM 0 HG21 ILE A 60 -3.784 -6.519 -4.034 1.00 0.58 H new ATOM 0 HG22 ILE A 60 -4.319 -5.490 -5.384 1.00 0.58 H new ATOM 0 HG23 ILE A 60 -4.358 -7.262 -5.546 1.00 0.58 H new ATOM 0 HD11 ILE A 60 -1.649 -9.739 -4.919 1.00 0.53 H new ATOM 0 HD12 ILE A 60 -3.236 -8.944 -4.779 1.00 0.53 H new ATOM 0 HD13 ILE A 60 -2.474 -9.136 -6.376 1.00 0.53 H new ATOM 878 N GLN A 61 -2.390 -3.826 -7.281 1.00 0.65 N ATOM 879 CA GLN A 61 -2.931 -2.521 -7.622 1.00 0.73 C ATOM 880 C GLN A 61 -2.985 -2.369 -9.147 1.00 0.78 C ATOM 881 O GLN A 61 -3.990 -1.901 -9.681 1.00 0.81 O ATOM 882 CB GLN A 61 -2.220 -1.402 -6.832 1.00 0.81 C ATOM 883 CG GLN A 61 -0.954 -0.799 -7.454 1.00 0.95 C ATOM 884 CD GLN A 61 -1.253 0.349 -8.405 1.00 1.24 C ATOM 885 OE1 GLN A 61 -1.369 0.145 -9.605 1.00 2.94 O ATOM 886 NE2 GLN A 61 -1.358 1.563 -7.883 1.00 1.05 N ATOM 0 H GLN A 61 -1.519 -3.797 -6.751 1.00 0.65 H new ATOM 0 HA GLN A 61 -3.968 -2.425 -7.300 1.00 0.73 H new ATOM 0 HB2 GLN A 61 -2.935 -0.595 -6.672 1.00 0.81 H new ATOM 0 HB3 GLN A 61 -1.959 -1.796 -5.850 1.00 0.81 H new ATOM 0 HG2 GLN A 61 -0.298 -0.445 -6.659 1.00 0.95 H new ATOM 0 HG3 GLN A 61 -0.412 -1.578 -7.991 1.00 0.95 H new ATOM 0 HE21 GLN A 61 -1.256 1.696 -6.877 1.00 1.05 H new ATOM 0 HE22 GLN A 61 -1.541 2.364 -8.487 1.00 1.05 H new ATOM 895 N GLU A 62 -1.963 -2.871 -9.856 1.00 0.81 N ATOM 896 CA GLU A 62 -1.965 -2.858 -11.310 1.00 0.87 C ATOM 897 C GLU A 62 -3.198 -3.608 -11.830 1.00 0.81 C ATOM 898 O GLU A 62 -3.821 -3.197 -12.807 1.00 0.81 O ATOM 899 CB GLU A 62 -0.663 -3.496 -11.821 1.00 0.95 C ATOM 900 CG GLU A 62 -0.473 -3.354 -13.333 1.00 1.14 C ATOM 901 CD GLU A 62 0.371 -4.488 -13.890 1.00 1.26 C ATOM 902 OE1 GLU A 62 -0.240 -5.538 -14.191 1.00 2.02 O ATOM 903 OE2 GLU A 62 1.589 -4.286 -14.040 1.00 2.27 O ATOM 0 H GLU A 62 -1.131 -3.288 -9.439 1.00 0.81 H new ATOM 0 HA GLU A 62 -2.015 -1.833 -11.679 1.00 0.87 H new ATOM 0 HB2 GLU A 62 0.183 -3.037 -11.311 1.00 0.95 H new ATOM 0 HB3 GLU A 62 -0.657 -4.554 -11.559 1.00 0.95 H new ATOM 0 HG2 GLU A 62 -1.446 -3.345 -13.825 1.00 1.14 H new ATOM 0 HG3 GLU A 62 0.004 -2.399 -13.554 1.00 1.14 H new ATOM 910 N LYS A 63 -3.563 -4.724 -11.195 1.00 0.77 N ATOM 911 CA LYS A 63 -4.679 -5.523 -11.642 1.00 0.73 C ATOM 912 C LYS A 63 -5.974 -4.736 -11.463 1.00 0.68 C ATOM 913 O LYS A 63 -6.803 -4.743 -12.366 1.00 0.67 O ATOM 914 CB LYS A 63 -4.686 -6.882 -10.925 1.00 0.72 C ATOM 915 CG LYS A 63 -4.692 -8.084 -11.880 1.00 0.94 C ATOM 916 CD LYS A 63 -3.292 -8.512 -12.350 1.00 1.96 C ATOM 917 CE LYS A 63 -2.579 -7.429 -13.173 1.00 2.31 C ATOM 918 NZ LYS A 63 -1.274 -7.872 -13.697 1.00 3.61 N ATOM 0 H LYS A 63 -3.092 -5.087 -10.366 1.00 0.77 H new ATOM 0 HA LYS A 63 -4.584 -5.743 -12.705 1.00 0.73 H new ATOM 0 HB2 LYS A 63 -3.810 -6.947 -10.279 1.00 0.72 H new ATOM 0 HB3 LYS A 63 -5.563 -6.938 -10.280 1.00 0.72 H new ATOM 0 HG2 LYS A 63 -5.172 -8.928 -11.384 1.00 0.94 H new ATOM 0 HG3 LYS A 63 -5.299 -7.840 -12.752 1.00 0.94 H new ATOM 0 HD2 LYS A 63 -2.683 -8.760 -11.481 1.00 1.96 H new ATOM 0 HD3 LYS A 63 -3.377 -9.419 -12.949 1.00 1.96 H new ATOM 0 HE2 LYS A 63 -3.218 -7.133 -14.005 1.00 2.31 H new ATOM 0 HE3 LYS A 63 -2.434 -6.545 -12.552 1.00 2.31 H new ATOM 0 HZ1 LYS A 63 -0.643 -7.051 -13.796 1.00 3.61 H new ATOM 0 HZ2 LYS A 63 -0.850 -8.557 -13.039 1.00 3.61 H new ATOM 0 HZ3 LYS A 63 -1.407 -8.321 -14.626 1.00 3.61 H new ATOM 932 N ILE A 64 -6.147 -4.018 -10.348 1.00 0.67 N ATOM 933 CA ILE A 64 -7.296 -3.132 -10.192 1.00 0.60 C ATOM 934 C ILE A 64 -7.373 -2.170 -11.386 1.00 0.56 C ATOM 935 O ILE A 64 -8.442 -2.005 -11.977 1.00 0.57 O ATOM 936 CB ILE A 64 -7.251 -2.405 -8.834 1.00 0.61 C ATOM 937 CG1 ILE A 64 -7.310 -3.434 -7.688 1.00 0.65 C ATOM 938 CG2 ILE A 64 -8.433 -1.433 -8.735 1.00 0.54 C ATOM 939 CD1 ILE A 64 -7.093 -2.812 -6.306 1.00 0.82 C ATOM 0 H ILE A 64 -5.511 -4.035 -9.551 1.00 0.67 H new ATOM 0 HA ILE A 64 -8.214 -3.720 -10.188 1.00 0.60 H new ATOM 0 HB ILE A 64 -6.320 -1.844 -8.753 1.00 0.61 H new ATOM 0 HG12 ILE A 64 -8.279 -3.933 -7.706 1.00 0.65 H new ATOM 0 HG13 ILE A 64 -6.553 -4.200 -7.857 1.00 0.65 H new ATOM 0 HG21 ILE A 64 -8.402 -0.919 -7.775 1.00 0.54 H new ATOM 0 HG22 ILE A 64 -8.371 -0.701 -9.541 1.00 0.54 H new ATOM 0 HG23 ILE A 64 -9.368 -1.987 -8.819 1.00 0.54 H new ATOM 0 HD11 ILE A 64 -7.147 -3.590 -5.544 1.00 0.82 H new ATOM 0 HD12 ILE A 64 -6.113 -2.337 -6.271 1.00 0.82 H new ATOM 0 HD13 ILE A 64 -7.865 -2.066 -6.118 1.00 0.82 H new ATOM 951 N GLU A 65 -6.241 -1.572 -11.777 1.00 0.54 N ATOM 952 CA GLU A 65 -6.222 -0.713 -12.953 1.00 0.49 C ATOM 953 C GLU A 65 -6.660 -1.468 -14.210 1.00 0.54 C ATOM 954 O GLU A 65 -7.610 -1.056 -14.873 1.00 0.61 O ATOM 955 CB GLU A 65 -4.859 -0.040 -13.147 1.00 0.55 C ATOM 956 CG GLU A 65 -4.454 0.833 -11.952 1.00 0.62 C ATOM 957 CD GLU A 65 -3.255 1.712 -12.297 1.00 1.01 C ATOM 958 OE1 GLU A 65 -2.537 1.345 -13.255 1.00 1.77 O ATOM 959 OE2 GLU A 65 -3.104 2.749 -11.617 1.00 1.54 O ATOM 0 H GLU A 65 -5.344 -1.668 -11.302 1.00 0.54 H new ATOM 0 HA GLU A 65 -6.949 0.080 -12.780 1.00 0.49 H new ATOM 0 HB2 GLU A 65 -4.100 -0.806 -13.306 1.00 0.55 H new ATOM 0 HB3 GLU A 65 -4.886 0.574 -14.047 1.00 0.55 H new ATOM 0 HG2 GLU A 65 -5.295 1.459 -11.654 1.00 0.62 H new ATOM 0 HG3 GLU A 65 -4.211 0.199 -11.100 1.00 0.62 H new ATOM 966 N LYS A 66 -5.995 -2.577 -14.551 1.00 0.56 N ATOM 967 CA LYS A 66 -6.326 -3.340 -15.750 1.00 0.62 C ATOM 968 C LYS A 66 -7.774 -3.841 -15.752 1.00 0.65 C ATOM 969 O LYS A 66 -8.375 -3.940 -16.819 1.00 0.73 O ATOM 970 CB LYS A 66 -5.358 -4.510 -15.959 1.00 0.66 C ATOM 971 CG LYS A 66 -4.104 -4.117 -16.755 1.00 0.80 C ATOM 972 CD LYS A 66 -2.937 -3.762 -15.836 1.00 1.68 C ATOM 973 CE LYS A 66 -1.676 -3.350 -16.615 1.00 2.02 C ATOM 974 NZ LYS A 66 -1.473 -1.886 -16.607 1.00 3.37 N ATOM 0 H LYS A 66 -5.222 -2.964 -14.009 1.00 0.56 H new ATOM 0 HA LYS A 66 -6.220 -2.647 -16.585 1.00 0.62 H new ATOM 0 HB2 LYS A 66 -5.057 -4.903 -14.988 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -5.876 -5.314 -16.482 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -3.815 -4.941 -17.408 1.00 0.80 H new ATOM 0 HG3 LYS A 66 -4.333 -3.266 -17.397 1.00 0.80 H new ATOM 0 HD2 LYS A 66 -3.234 -2.947 -15.175 1.00 1.68 H new ATOM 0 HD3 LYS A 66 -2.705 -4.618 -15.202 1.00 1.68 H new ATOM 0 HE2 LYS A 66 -0.805 -3.839 -16.179 1.00 2.02 H new ATOM 0 HE3 LYS A 66 -1.756 -3.699 -17.644 1.00 2.02 H new ATOM 0 HZ1 LYS A 66 -0.613 -1.652 -17.143 1.00 3.37 H new ATOM 0 HZ2 LYS A 66 -2.292 -1.420 -17.046 1.00 3.37 H new ATOM 0 HZ3 LYS A 66 -1.371 -1.555 -15.626 1.00 3.37 H new ATOM 988 N LEU A 67 -8.349 -4.160 -14.589 1.00 0.62 N ATOM 989 CA LEU A 67 -9.742 -4.554 -14.495 1.00 0.69 C ATOM 990 C LEU A 67 -10.680 -3.396 -14.866 1.00 0.71 C ATOM 991 O LEU A 67 -11.859 -3.635 -15.118 1.00 0.80 O ATOM 992 CB LEU A 67 -9.986 -5.121 -13.088 1.00 0.69 C ATOM 993 CG LEU A 67 -9.718 -6.631 -12.943 1.00 0.94 C ATOM 994 CD1 LEU A 67 -10.986 -7.416 -13.300 1.00 1.42 C ATOM 995 CD2 LEU A 67 -8.543 -7.201 -13.752 1.00 2.56 C ATOM 0 H LEU A 67 -7.858 -4.150 -13.695 1.00 0.62 H new ATOM 0 HA LEU A 67 -9.969 -5.335 -15.220 1.00 0.69 H new ATOM 0 HB2 LEU A 67 -9.353 -4.585 -12.381 1.00 0.69 H new ATOM 0 HB3 LEU A 67 -11.020 -4.921 -12.806 1.00 0.69 H new ATOM 0 HG LEU A 67 -9.429 -6.750 -11.899 1.00 0.94 H new ATOM 0 HD11 LEU A 67 -10.794 -8.484 -13.197 1.00 1.42 H new ATOM 0 HD12 LEU A 67 -11.794 -7.126 -12.629 1.00 1.42 H new ATOM 0 HD13 LEU A 67 -11.272 -7.197 -14.329 1.00 1.42 H new ATOM 0 HD21 LEU A 67 -8.458 -8.271 -13.565 1.00 2.56 H new ATOM 0 HD22 LEU A 67 -8.716 -7.031 -14.815 1.00 2.56 H new ATOM 0 HD23 LEU A 67 -7.620 -6.706 -13.451 1.00 2.56 H new ATOM 1007 N GLY A 68 -10.166 -2.165 -14.956 1.00 0.67 N ATOM 1008 CA GLY A 68 -10.897 -1.016 -15.468 1.00 0.71 C ATOM 1009 C GLY A 68 -11.490 -0.209 -14.324 1.00 0.65 C ATOM 1010 O GLY A 68 -12.619 0.270 -14.415 1.00 0.76 O ATOM 0 H GLY A 68 -9.213 -1.942 -14.668 1.00 0.67 H new ATOM 0 HA2 GLY A 68 -10.230 -0.387 -16.057 1.00 0.71 H new ATOM 0 HA3 GLY A 68 -11.692 -1.351 -16.135 1.00 0.71 H new ATOM 1014 N TYR A 69 -10.719 -0.058 -13.245 1.00 0.53 N ATOM 1015 CA TYR A 69 -11.091 0.711 -12.068 1.00 0.51 C ATOM 1016 C TYR A 69 -9.951 1.663 -11.721 1.00 0.52 C ATOM 1017 O TYR A 69 -8.918 1.663 -12.390 1.00 0.55 O ATOM 1018 CB TYR A 69 -11.420 -0.255 -10.926 1.00 0.51 C ATOM 1019 CG TYR A 69 -12.538 -1.212 -11.284 1.00 0.52 C ATOM 1020 CD1 TYR A 69 -13.878 -0.792 -11.207 1.00 1.96 C ATOM 1021 CD2 TYR A 69 -12.230 -2.454 -11.869 1.00 1.82 C ATOM 1022 CE1 TYR A 69 -14.900 -1.587 -11.753 1.00 1.96 C ATOM 1023 CE2 TYR A 69 -13.260 -3.274 -12.359 1.00 1.94 C ATOM 1024 CZ TYR A 69 -14.582 -2.816 -12.355 1.00 0.88 C ATOM 1025 OH TYR A 69 -15.540 -3.559 -12.975 1.00 1.17 O ATOM 0 H TYR A 69 -9.794 -0.481 -13.169 1.00 0.53 H new ATOM 0 HA TYR A 69 -11.980 1.314 -12.253 1.00 0.51 H new ATOM 0 HB2 TYR A 69 -10.527 -0.824 -10.666 1.00 0.51 H new ATOM 0 HB3 TYR A 69 -11.703 0.315 -10.041 1.00 0.51 H new ATOM 0 HD1 TYR A 69 -14.122 0.144 -10.727 1.00 1.96 H new ATOM 0 HD2 TYR A 69 -11.202 -2.777 -11.941 1.00 1.82 H new ATOM 0 HE1 TYR A 69 -15.927 -1.254 -11.710 1.00 1.96 H new ATOM 0 HE2 TYR A 69 -13.031 -4.259 -12.739 1.00 1.94 H new ATOM 0 HH TYR A 69 -16.409 -3.390 -12.554 1.00 1.17 H new ATOM 1035 N HIS A 70 -10.144 2.509 -10.709 1.00 0.56 N ATOM 1036 CA HIS A 70 -9.114 3.400 -10.193 1.00 0.60 C ATOM 1037 C HIS A 70 -9.079 3.235 -8.679 1.00 0.55 C ATOM 1038 O HIS A 70 -10.121 3.054 -8.053 1.00 0.58 O ATOM 1039 CB HIS A 70 -9.405 4.856 -10.583 1.00 0.70 C ATOM 1040 CG HIS A 70 -8.917 5.244 -11.959 1.00 1.19 C ATOM 1041 ND1 HIS A 70 -8.597 4.389 -12.992 1.00 2.20 N ATOM 1042 CD2 HIS A 70 -8.652 6.517 -12.387 1.00 2.00 C ATOM 1043 CE1 HIS A 70 -8.166 5.138 -14.021 1.00 2.33 C ATOM 1044 NE2 HIS A 70 -8.184 6.442 -13.702 1.00 2.12 N ATOM 0 H HIS A 70 -11.035 2.593 -10.220 1.00 0.56 H new ATOM 0 HA HIS A 70 -8.144 3.147 -10.621 1.00 0.60 H new ATOM 0 HB2 HIS A 70 -10.481 5.025 -10.531 1.00 0.70 H new ATOM 0 HB3 HIS A 70 -8.943 5.515 -9.848 1.00 0.70 H new ATOM 0 HD1 HIS A 70 -8.674 3.372 -12.978 1.00 2.20 H new ATOM 0 HD2 HIS A 70 -8.782 7.421 -11.810 1.00 2.00 H new ATOM 0 HE1 HIS A 70 -7.848 4.744 -14.975 1.00 2.33 H new ATOM 1052 N VAL A 71 -7.877 3.280 -8.110 1.00 0.57 N ATOM 1053 CA VAL A 71 -7.641 3.222 -6.679 1.00 0.56 C ATOM 1054 C VAL A 71 -7.658 4.648 -6.123 1.00 0.66 C ATOM 1055 O VAL A 71 -7.320 5.585 -6.843 1.00 0.93 O ATOM 1056 CB VAL A 71 -6.313 2.489 -6.418 1.00 0.61 C ATOM 1057 CG1 VAL A 71 -6.396 1.027 -6.871 1.00 0.60 C ATOM 1058 CG2 VAL A 71 -5.105 3.150 -7.107 1.00 0.74 C ATOM 0 H VAL A 71 -7.017 3.360 -8.653 1.00 0.57 H new ATOM 0 HA VAL A 71 -8.422 2.661 -6.166 1.00 0.56 H new ATOM 0 HB VAL A 71 -6.157 2.546 -5.341 1.00 0.61 H new ATOM 0 HG11 VAL A 71 -5.445 0.531 -6.676 1.00 0.60 H new ATOM 0 HG12 VAL A 71 -7.189 0.520 -6.321 1.00 0.60 H new ATOM 0 HG13 VAL A 71 -6.613 0.989 -7.939 1.00 0.60 H new ATOM 0 HG21 VAL A 71 -4.202 2.583 -6.881 1.00 0.74 H new ATOM 0 HG22 VAL A 71 -5.264 3.165 -8.185 1.00 0.74 H new ATOM 0 HG23 VAL A 71 -4.992 4.171 -6.743 1.00 0.74 H new ATOM 1068 N VAL A 72 -8.046 4.828 -4.854 1.00 0.51 N ATOM 1069 CA VAL A 72 -8.138 6.155 -4.231 1.00 0.61 C ATOM 1070 C VAL A 72 -6.804 6.573 -3.591 1.00 0.82 C ATOM 1071 O VAL A 72 -6.730 7.471 -2.755 1.00 1.72 O ATOM 1072 CB VAL A 72 -9.345 6.166 -3.268 1.00 0.61 C ATOM 1073 CG1 VAL A 72 -9.573 7.494 -2.528 1.00 0.75 C ATOM 1074 CG2 VAL A 72 -10.637 5.847 -4.036 1.00 0.65 C ATOM 0 H VAL A 72 -8.304 4.062 -4.232 1.00 0.51 H new ATOM 0 HA VAL A 72 -8.320 6.920 -4.986 1.00 0.61 H new ATOM 0 HB VAL A 72 -9.103 5.410 -2.521 1.00 0.61 H new ATOM 0 HG11 VAL A 72 -10.442 7.403 -1.876 1.00 0.75 H new ATOM 0 HG12 VAL A 72 -8.694 7.732 -1.929 1.00 0.75 H new ATOM 0 HG13 VAL A 72 -9.745 8.290 -3.253 1.00 0.75 H new ATOM 0 HG21 VAL A 72 -11.482 5.857 -3.347 1.00 0.65 H new ATOM 0 HG22 VAL A 72 -10.793 6.596 -4.813 1.00 0.65 H new ATOM 0 HG23 VAL A 72 -10.554 4.861 -4.494 1.00 0.65 H new ATOM 1084 N THR A 73 -5.725 5.922 -4.007 1.00 0.58 N ATOM 1085 CA THR A 73 -4.399 6.081 -3.450 1.00 0.58 C ATOM 1086 C THR A 73 -3.752 7.390 -3.905 1.00 0.81 C ATOM 1087 O THR A 73 -4.128 7.919 -4.953 1.00 1.19 O ATOM 1088 CB THR A 73 -3.571 4.848 -3.848 1.00 0.59 C ATOM 1089 OG1 THR A 73 -4.406 3.797 -4.289 1.00 0.85 O ATOM 1090 CG2 THR A 73 -2.855 4.349 -2.609 1.00 0.73 C ATOM 0 H THR A 73 -5.757 5.245 -4.770 1.00 0.58 H new ATOM 0 HA THR A 73 -4.451 6.146 -2.363 1.00 0.58 H new ATOM 0 HB THR A 73 -2.885 5.131 -4.646 1.00 0.59 H new ATOM 0 HG1 THR A 73 -4.336 3.041 -3.669 1.00 0.85 H new ATOM 0 HG21 THR A 73 -2.258 3.473 -2.862 1.00 0.73 H new ATOM 0 HG22 THR A 73 -2.203 5.133 -2.225 1.00 0.73 H new ATOM 0 HG23 THR A 73 -3.588 4.082 -1.848 1.00 0.73 H new ATOM 1098 N GLU A 74 -2.791 7.915 -3.133 1.00 0.69 N ATOM 1099 CA GLU A 74 -2.009 9.070 -3.551 1.00 0.75 C ATOM 1100 C GLU A 74 -0.521 8.806 -3.329 1.00 0.66 C ATOM 1101 O GLU A 74 -0.142 8.161 -2.348 1.00 0.64 O ATOM 1102 CB GLU A 74 -2.499 10.346 -2.846 1.00 0.83 C ATOM 1103 CG GLU A 74 -2.110 10.432 -1.363 1.00 2.35 C ATOM 1104 CD GLU A 74 -2.790 11.590 -0.642 1.00 3.49 C ATOM 1105 OE1 GLU A 74 -3.496 12.366 -1.323 1.00 3.45 O ATOM 1106 OE2 GLU A 74 -2.616 11.663 0.593 1.00 5.15 O ATOM 0 H GLU A 74 -2.541 7.551 -2.213 1.00 0.69 H new ATOM 0 HA GLU A 74 -2.151 9.234 -4.619 1.00 0.75 H new ATOM 0 HB2 GLU A 74 -2.095 11.214 -3.367 1.00 0.83 H new ATOM 0 HB3 GLU A 74 -3.584 10.400 -2.930 1.00 0.83 H new ATOM 0 HG2 GLU A 74 -2.373 9.497 -0.868 1.00 2.35 H new ATOM 0 HG3 GLU A 74 -1.029 10.543 -1.281 1.00 2.35 H new ATOM 1113 N LYS A 75 0.295 9.338 -4.245 1.00 0.72 N ATOM 1114 CA LYS A 75 1.746 9.315 -4.202 1.00 0.73 C ATOM 1115 C LYS A 75 2.225 10.600 -3.535 1.00 0.75 C ATOM 1116 O LYS A 75 2.113 11.680 -4.114 1.00 1.10 O ATOM 1117 CB LYS A 75 2.319 9.077 -5.611 1.00 0.89 C ATOM 1118 CG LYS A 75 2.149 10.235 -6.595 1.00 1.00 C ATOM 1119 CD LYS A 75 2.488 9.763 -8.013 1.00 1.19 C ATOM 1120 CE LYS A 75 2.305 10.911 -9.014 1.00 2.17 C ATOM 1121 NZ LYS A 75 2.657 10.502 -10.389 1.00 3.04 N ATOM 0 H LYS A 75 -0.063 9.817 -5.072 1.00 0.72 H new ATOM 0 HA LYS A 75 2.116 8.483 -3.602 1.00 0.73 H new ATOM 0 HB2 LYS A 75 3.382 8.854 -5.519 1.00 0.89 H new ATOM 0 HB3 LYS A 75 1.843 8.192 -6.033 1.00 0.89 H new ATOM 0 HG2 LYS A 75 1.125 10.607 -6.560 1.00 1.00 H new ATOM 0 HG3 LYS A 75 2.799 11.063 -6.312 1.00 1.00 H new ATOM 0 HD2 LYS A 75 3.516 9.402 -8.047 1.00 1.19 H new ATOM 0 HD3 LYS A 75 1.847 8.926 -8.288 1.00 1.19 H new ATOM 0 HE2 LYS A 75 1.270 11.252 -8.990 1.00 2.17 H new ATOM 0 HE3 LYS A 75 2.926 11.756 -8.716 1.00 2.17 H new ATOM 0 HZ1 LYS A 75 2.520 11.305 -11.036 1.00 3.04 H new ATOM 0 HZ2 LYS A 75 3.652 10.200 -10.417 1.00 3.04 H new ATOM 0 HZ3 LYS A 75 2.047 9.713 -10.683 1.00 3.04 H new ATOM 1135 N ALA A 76 2.732 10.483 -2.311 1.00 0.71 N ATOM 1136 CA ALA A 76 3.285 11.611 -1.564 1.00 0.80 C ATOM 1137 C ALA A 76 4.763 11.368 -1.252 1.00 0.72 C ATOM 1138 O ALA A 76 5.217 10.229 -1.333 1.00 0.84 O ATOM 1139 CB ALA A 76 2.459 11.820 -0.296 1.00 0.87 C ATOM 0 H ALA A 76 2.771 9.598 -1.806 1.00 0.71 H new ATOM 0 HA ALA A 76 3.231 12.520 -2.163 1.00 0.80 H new ATOM 0 HB1 ALA A 76 2.864 12.660 0.268 1.00 0.87 H new ATOM 0 HB2 ALA A 76 1.424 12.030 -0.566 1.00 0.87 H new ATOM 0 HB3 ALA A 76 2.498 10.919 0.316 1.00 0.87 H new ATOM 1145 N GLU A 77 5.513 12.423 -0.903 1.00 0.64 N ATOM 1146 CA GLU A 77 6.917 12.340 -0.516 1.00 0.57 C ATOM 1147 C GLU A 77 7.125 12.890 0.894 1.00 0.47 C ATOM 1148 O GLU A 77 6.701 14.001 1.216 1.00 0.53 O ATOM 1149 CB GLU A 77 7.821 13.126 -1.472 1.00 0.78 C ATOM 1150 CG GLU A 77 8.029 12.469 -2.838 1.00 1.02 C ATOM 1151 CD GLU A 77 9.126 13.175 -3.644 1.00 1.53 C ATOM 1152 OE1 GLU A 77 9.961 13.881 -3.022 1.00 2.12 O ATOM 1153 OE2 GLU A 77 9.108 13.000 -4.880 1.00 2.38 O ATOM 0 H GLU A 77 5.147 13.375 -0.883 1.00 0.64 H new ATOM 0 HA GLU A 77 7.186 11.284 -0.554 1.00 0.57 H new ATOM 0 HB2 GLU A 77 7.394 14.118 -1.622 1.00 0.78 H new ATOM 0 HB3 GLU A 77 8.793 13.266 -0.999 1.00 0.78 H new ATOM 0 HG2 GLU A 77 8.295 11.421 -2.701 1.00 1.02 H new ATOM 0 HG3 GLU A 77 7.094 12.490 -3.398 1.00 1.02 H new ATOM 1160 N PHE A 78 7.850 12.120 1.706 1.00 0.44 N ATOM 1161 CA PHE A 78 8.255 12.473 3.051 1.00 0.41 C ATOM 1162 C PHE A 78 9.784 12.490 3.110 1.00 0.40 C ATOM 1163 O PHE A 78 10.457 11.790 2.353 1.00 0.50 O ATOM 1164 CB PHE A 78 7.662 11.478 4.056 1.00 0.45 C ATOM 1165 CG PHE A 78 6.168 11.620 4.295 1.00 0.45 C ATOM 1166 CD1 PHE A 78 5.266 11.334 3.254 1.00 1.68 C ATOM 1167 CD2 PHE A 78 5.675 12.109 5.522 1.00 1.55 C ATOM 1168 CE1 PHE A 78 3.920 11.712 3.369 1.00 1.79 C ATOM 1169 CE2 PHE A 78 4.315 12.435 5.653 1.00 1.63 C ATOM 1170 CZ PHE A 78 3.456 12.305 4.550 1.00 0.91 C ATOM 0 H PHE A 78 8.181 11.197 1.425 1.00 0.44 H new ATOM 0 HA PHE A 78 7.881 13.462 3.315 1.00 0.41 H new ATOM 0 HB2 PHE A 78 7.864 10.466 3.705 1.00 0.45 H new ATOM 0 HB3 PHE A 78 8.180 11.594 5.008 1.00 0.45 H new ATOM 0 HD1 PHE A 78 5.610 10.824 2.366 1.00 1.68 H new ATOM 0 HD2 PHE A 78 6.343 12.233 6.361 1.00 1.55 H new ATOM 0 HE1 PHE A 78 3.241 11.546 2.546 1.00 1.79 H new ATOM 0 HE2 PHE A 78 3.931 12.785 6.600 1.00 1.63 H new ATOM 0 HZ PHE A 78 2.439 12.662 4.612 1.00 0.91 H new ATOM 1180 N ASP A 79 10.317 13.322 4.001 1.00 0.38 N ATOM 1181 CA ASP A 79 11.736 13.548 4.246 1.00 0.40 C ATOM 1182 C ASP A 79 12.099 12.887 5.579 1.00 0.43 C ATOM 1183 O ASP A 79 11.303 12.952 6.512 1.00 0.66 O ATOM 1184 CB ASP A 79 11.946 15.069 4.271 1.00 0.51 C ATOM 1185 CG ASP A 79 13.243 15.494 4.936 1.00 0.61 C ATOM 1186 OD1 ASP A 79 14.248 15.565 4.201 1.00 1.55 O ATOM 1187 OD2 ASP A 79 13.185 15.799 6.148 1.00 1.63 O ATOM 0 H ASP A 79 9.730 13.892 4.610 1.00 0.38 H new ATOM 0 HA ASP A 79 12.377 13.116 3.478 1.00 0.40 H new ATOM 0 HB2 ASP A 79 11.932 15.446 3.248 1.00 0.51 H new ATOM 0 HB3 ASP A 79 11.110 15.534 4.794 1.00 0.51 H new ATOM 1192 N ILE A 80 13.219 12.165 5.661 1.00 0.37 N ATOM 1193 CA ILE A 80 13.504 11.285 6.792 1.00 0.37 C ATOM 1194 C ILE A 80 14.604 11.886 7.661 1.00 0.44 C ATOM 1195 O ILE A 80 15.635 12.286 7.129 1.00 0.56 O ATOM 1196 CB ILE A 80 13.936 9.917 6.251 1.00 0.39 C ATOM 1197 CG1 ILE A 80 13.039 9.550 5.064 1.00 0.38 C ATOM 1198 CG2 ILE A 80 13.895 8.845 7.353 1.00 0.50 C ATOM 1199 CD1 ILE A 80 13.273 8.130 4.605 1.00 0.50 C ATOM 0 H ILE A 80 13.949 12.175 4.949 1.00 0.37 H new ATOM 0 HA ILE A 80 12.612 11.170 7.407 1.00 0.37 H new ATOM 0 HB ILE A 80 14.970 9.968 5.910 1.00 0.39 H new ATOM 0 HG12 ILE A 80 11.993 9.674 5.346 1.00 0.38 H new ATOM 0 HG13 ILE A 80 13.230 10.235 4.238 1.00 0.38 H new ATOM 0 HG21 ILE A 80 14.206 7.886 6.939 1.00 0.50 H new ATOM 0 HG22 ILE A 80 14.570 9.128 8.161 1.00 0.50 H new ATOM 0 HG23 ILE A 80 12.880 8.760 7.741 1.00 0.50 H new ATOM 0 HD11 ILE A 80 12.619 7.908 3.762 1.00 0.50 H new ATOM 0 HD12 ILE A 80 14.312 8.013 4.298 1.00 0.50 H new ATOM 0 HD13 ILE A 80 13.057 7.443 5.423 1.00 0.50 H new ATOM 1211 N GLU A 81 14.427 11.904 8.989 1.00 0.52 N ATOM 1212 CA GLU A 81 15.460 12.383 9.903 1.00 0.67 C ATOM 1213 C GLU A 81 15.842 11.288 10.904 1.00 0.82 C ATOM 1214 O GLU A 81 15.262 11.175 11.986 1.00 1.28 O ATOM 1215 CB GLU A 81 15.029 13.703 10.556 1.00 0.78 C ATOM 1216 CG GLU A 81 13.578 13.697 11.051 1.00 2.44 C ATOM 1217 CD GLU A 81 13.216 14.956 11.827 1.00 2.48 C ATOM 1218 OE1 GLU A 81 14.052 15.885 11.866 1.00 2.29 O ATOM 1219 OE2 GLU A 81 12.082 14.984 12.349 1.00 3.36 O ATOM 0 H GLU A 81 13.573 11.590 9.451 1.00 0.52 H new ATOM 0 HA GLU A 81 16.369 12.608 9.346 1.00 0.67 H new ATOM 0 HB2 GLU A 81 15.690 13.916 11.396 1.00 0.78 H new ATOM 0 HB3 GLU A 81 15.156 14.513 9.837 1.00 0.78 H new ATOM 0 HG2 GLU A 81 12.908 13.596 10.197 1.00 2.44 H new ATOM 0 HG3 GLU A 81 13.419 12.825 11.686 1.00 2.44 H new ATOM 1226 N GLY A 82 16.839 10.472 10.546 1.00 0.83 N ATOM 1227 CA GLY A 82 17.314 9.422 11.432 1.00 1.06 C ATOM 1228 C GLY A 82 18.458 8.603 10.836 1.00 1.07 C ATOM 1229 O GLY A 82 19.469 8.383 11.501 1.00 1.53 O ATOM 0 H GLY A 82 17.326 10.524 9.651 1.00 0.83 H new ATOM 0 HA2 GLY A 82 17.646 9.869 12.369 1.00 1.06 H new ATOM 0 HA3 GLY A 82 16.485 8.756 11.672 1.00 1.06 H new ATOM 1233 N MET A 83 18.288 8.117 9.603 1.00 0.87 N ATOM 1234 CA MET A 83 19.273 7.316 8.907 1.00 1.02 C ATOM 1235 C MET A 83 20.679 7.917 8.955 1.00 1.21 C ATOM 1236 O MET A 83 20.864 9.119 8.795 1.00 1.78 O ATOM 1237 CB MET A 83 18.806 7.035 7.468 1.00 1.14 C ATOM 1238 CG MET A 83 18.809 8.246 6.521 1.00 1.54 C ATOM 1239 SD MET A 83 17.601 9.564 6.838 1.00 2.88 S ATOM 1240 CE MET A 83 18.702 10.947 7.208 1.00 4.36 C ATOM 0 H MET A 83 17.441 8.278 9.058 1.00 0.87 H new ATOM 0 HA MET A 83 19.354 6.365 9.434 1.00 1.02 H new ATOM 0 HB2 MET A 83 19.445 6.262 7.042 1.00 1.14 H new ATOM 0 HB3 MET A 83 17.795 6.628 7.506 1.00 1.14 H new ATOM 0 HG2 MET A 83 19.804 8.690 6.546 1.00 1.54 H new ATOM 0 HG3 MET A 83 18.648 7.880 5.507 1.00 1.54 H new ATOM 0 HE1 MET A 83 18.180 11.886 7.025 1.00 4.36 H new ATOM 0 HE2 MET A 83 19.008 10.899 8.253 1.00 4.36 H new ATOM 0 HE3 MET A 83 19.584 10.891 6.569 1.00 4.36 H new ATOM 1285 N ALA A 87 21.495 1.102 7.281 1.00 1.05 N ATOM 1286 CA ALA A 87 20.368 0.539 6.546 1.00 0.81 C ATOM 1287 C ALA A 87 19.007 1.014 7.072 1.00 0.69 C ATOM 1288 O ALA A 87 18.005 0.330 6.878 1.00 0.70 O ATOM 1289 CB ALA A 87 20.476 -0.992 6.548 1.00 1.37 C ATOM 0 HA ALA A 87 20.421 0.904 5.520 1.00 0.81 H new ATOM 0 HB1 ALA A 87 19.635 -1.417 6.000 1.00 1.37 H new ATOM 0 HB2 ALA A 87 21.409 -1.292 6.071 1.00 1.37 H new ATOM 0 HB3 ALA A 87 20.460 -1.357 7.575 1.00 1.37 H new ATOM 1295 N CYS A 88 18.932 2.189 7.707 1.00 0.64 N ATOM 1296 CA CYS A 88 17.737 2.587 8.438 1.00 0.56 C ATOM 1297 C CYS A 88 16.584 2.776 7.460 1.00 0.48 C ATOM 1298 O CYS A 88 15.504 2.214 7.634 1.00 0.47 O ATOM 1299 CB CYS A 88 18.002 3.878 9.211 1.00 0.61 C ATOM 1300 SG CYS A 88 19.402 3.678 10.343 1.00 0.80 S ATOM 0 H CYS A 88 19.686 2.876 7.726 1.00 0.64 H new ATOM 0 HA CYS A 88 17.471 1.808 9.152 1.00 0.56 H new ATOM 0 HB2 CYS A 88 18.207 4.689 8.512 1.00 0.61 H new ATOM 0 HB3 CYS A 88 17.112 4.159 9.773 1.00 0.61 H new ATOM 0 HG CYS A 88 19.604 4.791 10.984 1.00 0.80 H new ATOM 1306 N ALA A 89 16.859 3.533 6.394 1.00 0.49 N ATOM 1307 CA ALA A 89 15.938 3.761 5.291 1.00 0.51 C ATOM 1308 C ALA A 89 15.499 2.432 4.663 1.00 0.50 C ATOM 1309 O ALA A 89 14.357 2.285 4.243 1.00 0.52 O ATOM 1310 CB ALA A 89 16.587 4.700 4.263 1.00 0.67 C ATOM 0 H ALA A 89 17.751 4.013 6.277 1.00 0.49 H new ATOM 0 HA ALA A 89 15.036 4.244 5.667 1.00 0.51 H new ATOM 0 HB1 ALA A 89 15.896 4.869 3.438 1.00 0.67 H new ATOM 0 HB2 ALA A 89 16.825 5.652 4.739 1.00 0.67 H new ATOM 0 HB3 ALA A 89 17.502 4.246 3.882 1.00 0.67 H new ATOM 1316 N ASN A 90 16.388 1.441 4.615 1.00 0.55 N ATOM 1317 CA ASN A 90 16.038 0.141 4.060 1.00 0.62 C ATOM 1318 C ASN A 90 15.096 -0.596 5.021 1.00 0.56 C ATOM 1319 O ASN A 90 14.116 -1.212 4.610 1.00 0.57 O ATOM 1320 CB ASN A 90 17.298 -0.672 3.728 1.00 0.82 C ATOM 1321 CG ASN A 90 18.243 0.057 2.768 1.00 1.20 C ATOM 1322 OD1 ASN A 90 17.882 1.047 2.141 1.00 2.20 O ATOM 1323 ND2 ASN A 90 19.485 -0.407 2.661 1.00 1.32 N ATOM 0 H ASN A 90 17.348 1.515 4.952 1.00 0.55 H new ATOM 0 HA ASN A 90 15.506 0.280 3.119 1.00 0.62 H new ATOM 0 HB2 ASN A 90 17.831 -0.900 4.651 1.00 0.82 H new ATOM 0 HB3 ASN A 90 17.004 -1.624 3.287 1.00 0.82 H new ATOM 0 HD21 ASN A 90 20.154 0.062 2.050 1.00 1.32 H new ATOM 0 HD22 ASN A 90 19.769 -1.232 3.190 1.00 1.32 H new ATOM 1330 N ARG A 91 15.384 -0.534 6.322 1.00 0.56 N ATOM 1331 CA ARG A 91 14.556 -1.146 7.356 1.00 0.61 C ATOM 1332 C ARG A 91 13.150 -0.547 7.352 1.00 0.57 C ATOM 1333 O ARG A 91 12.165 -1.284 7.308 1.00 0.63 O ATOM 1334 CB ARG A 91 15.256 -1.024 8.726 1.00 0.74 C ATOM 1335 CG ARG A 91 15.611 -2.393 9.329 1.00 0.96 C ATOM 1336 CD ARG A 91 14.571 -2.842 10.368 1.00 1.87 C ATOM 1337 NE ARG A 91 14.897 -2.329 11.712 1.00 2.59 N ATOM 1338 CZ ARG A 91 15.837 -2.845 12.525 1.00 3.04 C ATOM 1339 NH1 ARG A 91 16.554 -3.900 12.123 1.00 3.15 N ATOM 1340 NH2 ARG A 91 16.063 -2.305 13.728 1.00 4.54 N ATOM 0 H ARG A 91 16.206 -0.053 6.688 1.00 0.56 H new ATOM 0 HA ARG A 91 14.435 -2.209 7.145 1.00 0.61 H new ATOM 0 HB2 ARG A 91 16.165 -0.433 8.615 1.00 0.74 H new ATOM 0 HB3 ARG A 91 14.607 -0.484 9.415 1.00 0.74 H new ATOM 0 HG2 ARG A 91 15.675 -3.136 8.534 1.00 0.96 H new ATOM 0 HG3 ARG A 91 16.594 -2.341 9.797 1.00 0.96 H new ATOM 0 HD2 ARG A 91 13.583 -2.489 10.072 1.00 1.87 H new ATOM 0 HD3 ARG A 91 14.526 -3.931 10.393 1.00 1.87 H new ATOM 0 HE ARG A 91 14.371 -1.523 12.050 1.00 2.59 H new ATOM 0 HH11 ARG A 91 16.387 -4.310 11.204 1.00 3.15 H new ATOM 0 HH12 ARG A 91 17.268 -4.295 12.735 1.00 3.15 H new ATOM 0 HH21 ARG A 91 15.521 -1.497 14.034 1.00 4.54 H new ATOM 0 HH22 ARG A 91 16.777 -2.701 14.339 1.00 4.54 H new ATOM 1354 N ILE A 92 13.043 0.783 7.379 1.00 0.53 N ATOM 1355 CA ILE A 92 11.745 1.433 7.268 1.00 0.57 C ATOM 1356 C ILE A 92 11.076 1.124 5.916 1.00 0.52 C ATOM 1357 O ILE A 92 9.866 0.914 5.901 1.00 0.59 O ATOM 1358 CB ILE A 92 11.807 2.935 7.621 1.00 0.69 C ATOM 1359 CG1 ILE A 92 12.857 3.713 6.839 1.00 1.16 C ATOM 1360 CG2 ILE A 92 12.017 3.147 9.123 1.00 1.97 C ATOM 1361 CD1 ILE A 92 12.235 4.808 5.974 1.00 1.46 C ATOM 0 H ILE A 92 13.833 1.421 7.476 1.00 0.53 H new ATOM 0 HA ILE A 92 11.089 1.003 8.025 1.00 0.57 H new ATOM 0 HB ILE A 92 10.836 3.334 7.326 1.00 0.69 H new ATOM 0 HG12 ILE A 92 13.568 4.160 7.534 1.00 1.16 H new ATOM 0 HG13 ILE A 92 13.419 3.027 6.206 1.00 1.16 H new ATOM 0 HG21 ILE A 92 12.056 4.215 9.338 1.00 1.97 H new ATOM 0 HG22 ILE A 92 11.191 2.696 9.673 1.00 1.97 H new ATOM 0 HG23 ILE A 92 12.954 2.681 9.429 1.00 1.97 H new ATOM 0 HD11 ILE A 92 13.021 5.336 5.435 1.00 1.46 H new ATOM 0 HD12 ILE A 92 11.544 4.359 5.260 1.00 1.46 H new ATOM 0 HD13 ILE A 92 11.695 5.511 6.609 1.00 1.46 H new ATOM 1373 N GLU A 93 11.818 1.022 4.803 1.00 0.47 N ATOM 1374 CA GLU A 93 11.279 0.716 3.487 1.00 0.46 C ATOM 1375 C GLU A 93 10.437 -0.544 3.568 1.00 0.45 C ATOM 1376 O GLU A 93 9.231 -0.469 3.360 1.00 0.47 O ATOM 1377 CB GLU A 93 12.410 0.568 2.455 1.00 0.53 C ATOM 1378 CG GLU A 93 11.892 0.301 1.041 1.00 0.62 C ATOM 1379 CD GLU A 93 11.664 -1.178 0.735 1.00 1.35 C ATOM 1380 OE1 GLU A 93 12.655 -1.935 0.826 1.00 1.76 O ATOM 1381 OE2 GLU A 93 10.506 -1.535 0.428 1.00 2.89 O ATOM 0 H GLU A 93 12.829 1.154 4.802 1.00 0.47 H new ATOM 0 HA GLU A 93 10.646 1.539 3.157 1.00 0.46 H new ATOM 0 HB2 GLU A 93 13.013 1.476 2.451 1.00 0.53 H new ATOM 0 HB3 GLU A 93 13.066 -0.248 2.757 1.00 0.53 H new ATOM 0 HG2 GLU A 93 10.955 0.840 0.900 1.00 0.62 H new ATOM 0 HG3 GLU A 93 12.604 0.705 0.321 1.00 0.62 H new ATOM 1388 N LYS A 94 11.050 -1.673 3.946 1.00 0.50 N ATOM 1389 CA LYS A 94 10.331 -2.940 4.046 1.00 0.55 C ATOM 1390 C LYS A 94 9.046 -2.791 4.863 1.00 0.57 C ATOM 1391 O LYS A 94 8.077 -3.505 4.602 1.00 0.69 O ATOM 1392 CB LYS A 94 11.190 -4.048 4.682 1.00 0.62 C ATOM 1393 CG LYS A 94 12.134 -4.775 3.716 1.00 0.78 C ATOM 1394 CD LYS A 94 13.400 -3.966 3.431 1.00 1.43 C ATOM 1395 CE LYS A 94 14.432 -4.774 2.634 1.00 1.85 C ATOM 1396 NZ LYS A 94 15.209 -5.685 3.502 1.00 3.38 N ATOM 0 H LYS A 94 12.040 -1.730 4.186 1.00 0.50 H new ATOM 0 HA LYS A 94 10.086 -3.226 3.023 1.00 0.55 H new ATOM 0 HB2 LYS A 94 11.783 -3.610 5.485 1.00 0.62 H new ATOM 0 HB3 LYS A 94 10.527 -4.783 5.139 1.00 0.62 H new ATOM 0 HG2 LYS A 94 12.409 -5.742 4.138 1.00 0.78 H new ATOM 0 HG3 LYS A 94 11.612 -4.973 2.780 1.00 0.78 H new ATOM 0 HD2 LYS A 94 13.137 -3.066 2.876 1.00 1.43 H new ATOM 0 HD3 LYS A 94 13.843 -3.642 4.373 1.00 1.43 H new ATOM 0 HE2 LYS A 94 13.923 -5.353 1.863 1.00 1.85 H new ATOM 0 HE3 LYS A 94 15.112 -4.092 2.123 1.00 1.85 H new ATOM 0 HZ1 LYS A 94 15.895 -6.213 2.925 1.00 3.38 H new ATOM 0 HZ2 LYS A 94 15.715 -5.131 4.222 1.00 3.38 H new ATOM 0 HZ3 LYS A 94 14.564 -6.353 3.970 1.00 3.38 H new ATOM 1410 N ARG A 95 9.045 -1.899 5.860 1.00 0.50 N ATOM 1411 CA ARG A 95 7.826 -1.649 6.620 1.00 0.49 C ATOM 1412 C ARG A 95 6.827 -0.868 5.767 1.00 0.42 C ATOM 1413 O ARG A 95 5.796 -1.414 5.368 1.00 0.48 O ATOM 1414 CB ARG A 95 8.152 -0.973 7.960 1.00 0.55 C ATOM 1415 CG ARG A 95 8.485 -2.027 9.024 1.00 0.93 C ATOM 1416 CD ARG A 95 7.215 -2.539 9.724 1.00 1.47 C ATOM 1417 NE ARG A 95 6.638 -1.509 10.608 1.00 2.82 N ATOM 1418 CZ ARG A 95 5.429 -1.564 11.193 1.00 4.13 C ATOM 1419 NH1 ARG A 95 4.606 -2.589 10.942 1.00 4.23 N ATOM 1420 NH2 ARG A 95 5.050 -0.591 12.030 1.00 5.95 N ATOM 0 H ARG A 95 9.856 -1.353 6.151 1.00 0.50 H new ATOM 0 HA ARG A 95 7.347 -2.595 6.871 1.00 0.49 H new ATOM 0 HB2 ARG A 95 8.995 -0.293 7.836 1.00 0.55 H new ATOM 0 HB3 ARG A 95 7.304 -0.372 8.287 1.00 0.55 H new ATOM 0 HG2 ARG A 95 9.008 -2.863 8.559 1.00 0.93 H new ATOM 0 HG3 ARG A 95 9.162 -1.599 9.763 1.00 0.93 H new ATOM 0 HD2 ARG A 95 6.479 -2.833 8.976 1.00 1.47 H new ATOM 0 HD3 ARG A 95 7.452 -3.430 10.306 1.00 1.47 H new ATOM 0 HE ARG A 95 7.206 -0.682 10.792 1.00 2.82 H new ATOM 0 HH11 ARG A 95 4.896 -3.331 10.305 1.00 4.23 H new ATOM 0 HH12 ARG A 95 3.689 -2.628 11.387 1.00 4.23 H new ATOM 0 HH21 ARG A 95 5.678 0.189 12.222 1.00 5.95 H new ATOM 0 HH22 ARG A 95 4.133 -0.630 12.475 1.00 5.95 H new ATOM 1434 N LEU A 96 7.139 0.405 5.497 1.00 0.34 N ATOM 1435 CA LEU A 96 6.298 1.321 4.730 1.00 0.35 C ATOM 1436 C LEU A 96 5.702 0.632 3.502 1.00 0.38 C ATOM 1437 O LEU A 96 4.494 0.712 3.300 1.00 0.40 O ATOM 1438 CB LEU A 96 7.073 2.591 4.360 1.00 0.38 C ATOM 1439 CG LEU A 96 7.071 3.614 5.514 1.00 0.47 C ATOM 1440 CD1 LEU A 96 8.488 3.953 5.968 1.00 1.11 C ATOM 1441 CD2 LEU A 96 6.344 4.894 5.090 1.00 1.71 C ATOM 0 H LEU A 96 8.007 0.834 5.816 1.00 0.34 H new ATOM 0 HA LEU A 96 5.461 1.623 5.359 1.00 0.35 H new ATOM 0 HB2 LEU A 96 8.100 2.330 4.106 1.00 0.38 H new ATOM 0 HB3 LEU A 96 6.630 3.042 3.472 1.00 0.38 H new ATOM 0 HG LEU A 96 6.546 3.159 6.354 1.00 0.47 H new ATOM 0 HD11 LEU A 96 8.446 4.677 6.782 1.00 1.11 H new ATOM 0 HD12 LEU A 96 8.986 3.047 6.313 1.00 1.11 H new ATOM 0 HD13 LEU A 96 9.046 4.378 5.133 1.00 1.11 H new ATOM 0 HD21 LEU A 96 6.351 5.607 5.915 1.00 1.71 H new ATOM 0 HD22 LEU A 96 6.849 5.331 4.229 1.00 1.71 H new ATOM 0 HD23 LEU A 96 5.314 4.656 4.824 1.00 1.71 H new ATOM 1453 N ASN A 97 6.540 -0.089 2.747 1.00 0.45 N ATOM 1454 CA ASN A 97 6.217 -0.907 1.577 1.00 0.57 C ATOM 1455 C ASN A 97 4.811 -1.503 1.629 1.00 0.62 C ATOM 1456 O ASN A 97 4.113 -1.498 0.619 1.00 0.67 O ATOM 1457 CB ASN A 97 7.263 -2.025 1.465 1.00 0.73 C ATOM 1458 CG ASN A 97 7.241 -2.783 0.141 1.00 0.85 C ATOM 1459 OD1 ASN A 97 6.326 -3.556 -0.139 1.00 1.32 O ATOM 1460 ND2 ASN A 97 8.300 -2.639 -0.648 1.00 1.08 N ATOM 0 H ASN A 97 7.538 -0.116 2.957 1.00 0.45 H new ATOM 0 HA ASN A 97 6.238 -0.261 0.699 1.00 0.57 H new ATOM 0 HB2 ASN A 97 8.254 -1.593 1.605 1.00 0.73 H new ATOM 0 HB3 ASN A 97 7.106 -2.734 2.278 1.00 0.73 H new ATOM 0 HD21 ASN A 97 8.369 -3.177 -1.512 1.00 1.08 H new ATOM 0 HD22 ASN A 97 9.044 -1.990 -0.390 1.00 1.08 H new ATOM 1467 N LYS A 98 4.405 -2.029 2.792 1.00 0.63 N ATOM 1468 CA LYS A 98 3.087 -2.620 2.971 1.00 0.73 C ATOM 1469 C LYS A 98 2.677 -2.602 4.449 1.00 0.76 C ATOM 1470 O LYS A 98 2.458 -3.661 5.031 1.00 0.91 O ATOM 1471 CB LYS A 98 3.059 -4.024 2.334 1.00 0.85 C ATOM 1472 CG LYS A 98 4.095 -4.982 2.954 1.00 0.82 C ATOM 1473 CD LYS A 98 4.674 -5.992 1.948 1.00 2.32 C ATOM 1474 CE LYS A 98 6.208 -5.998 2.035 1.00 3.75 C ATOM 1475 NZ LYS A 98 6.831 -6.812 0.970 1.00 4.92 N ATOM 0 H LYS A 98 4.986 -2.053 3.630 1.00 0.63 H new ATOM 0 HA LYS A 98 2.336 -2.023 2.453 1.00 0.73 H new ATOM 0 HB2 LYS A 98 2.062 -4.450 2.449 1.00 0.85 H new ATOM 0 HB3 LYS A 98 3.247 -3.936 1.264 1.00 0.85 H new ATOM 0 HG2 LYS A 98 4.910 -4.397 3.380 1.00 0.82 H new ATOM 0 HG3 LYS A 98 3.629 -5.526 3.776 1.00 0.82 H new ATOM 0 HD2 LYS A 98 4.286 -6.989 2.156 1.00 2.32 H new ATOM 0 HD3 LYS A 98 4.360 -5.732 0.937 1.00 2.32 H new ATOM 0 HE2 LYS A 98 6.577 -4.974 1.968 1.00 3.75 H new ATOM 0 HE3 LYS A 98 6.512 -6.384 3.008 1.00 3.75 H new ATOM 0 HZ1 LYS A 98 7.866 -6.784 1.072 1.00 4.92 H new ATOM 0 HZ2 LYS A 98 6.502 -7.796 1.047 1.00 4.92 H new ATOM 0 HZ3 LYS A 98 6.564 -6.430 0.040 1.00 4.92 H new ATOM 1489 N ILE A 99 2.559 -1.412 5.053 1.00 0.70 N ATOM 1490 CA ILE A 99 2.005 -1.280 6.404 1.00 0.75 C ATOM 1491 C ILE A 99 0.574 -1.816 6.421 1.00 0.84 C ATOM 1492 O ILE A 99 0.308 -2.850 7.029 1.00 1.17 O ATOM 1493 CB ILE A 99 2.100 0.179 6.906 1.00 0.75 C ATOM 1494 CG1 ILE A 99 3.552 0.574 7.222 1.00 0.72 C ATOM 1495 CG2 ILE A 99 1.216 0.456 8.132 1.00 0.89 C ATOM 1496 CD1 ILE A 99 4.122 -0.029 8.510 1.00 1.42 C ATOM 0 H ILE A 99 2.840 -0.529 4.627 1.00 0.70 H new ATOM 0 HA ILE A 99 2.595 -1.877 7.099 1.00 0.75 H new ATOM 0 HB ILE A 99 1.728 0.792 6.085 1.00 0.75 H new ATOM 0 HG12 ILE A 99 4.184 0.273 6.387 1.00 0.72 H new ATOM 0 HG13 ILE A 99 3.610 1.660 7.290 1.00 0.72 H new ATOM 0 HG21 ILE A 99 1.329 1.497 8.434 1.00 0.89 H new ATOM 0 HG22 ILE A 99 0.173 0.262 7.880 1.00 0.89 H new ATOM 0 HG23 ILE A 99 1.518 -0.195 8.953 1.00 0.89 H new ATOM 0 HD11 ILE A 99 5.150 0.308 8.646 1.00 1.42 H new ATOM 0 HD12 ILE A 99 3.520 0.292 9.360 1.00 1.42 H new ATOM 0 HD13 ILE A 99 4.103 -1.117 8.442 1.00 1.42 H new ATOM 1508 N GLU A 100 -0.325 -1.109 5.735 1.00 0.77 N ATOM 1509 CA GLU A 100 -1.715 -1.491 5.561 1.00 0.80 C ATOM 1510 C GLU A 100 -2.101 -1.127 4.129 1.00 0.79 C ATOM 1511 O GLU A 100 -1.650 -1.778 3.188 1.00 1.04 O ATOM 1512 CB GLU A 100 -2.591 -0.795 6.613 1.00 0.82 C ATOM 1513 CG GLU A 100 -2.423 -1.388 8.017 1.00 0.96 C ATOM 1514 CD GLU A 100 -3.417 -0.795 9.012 1.00 1.71 C ATOM 1515 OE1 GLU A 100 -4.225 0.054 8.575 1.00 2.52 O ATOM 1516 OE2 GLU A 100 -3.356 -1.217 10.185 1.00 2.34 O ATOM 0 H GLU A 100 -0.093 -0.229 5.274 1.00 0.77 H new ATOM 0 HA GLU A 100 -1.865 -2.560 5.710 1.00 0.80 H new ATOM 0 HB2 GLU A 100 -2.343 0.266 6.640 1.00 0.82 H new ATOM 0 HB3 GLU A 100 -3.637 -0.870 6.315 1.00 0.82 H new ATOM 0 HG2 GLU A 100 -2.556 -2.469 7.972 1.00 0.96 H new ATOM 0 HG3 GLU A 100 -1.407 -1.206 8.368 1.00 0.96 H new ATOM 1523 N GLY A 101 -2.869 -0.051 3.938 1.00 0.70 N ATOM 1524 CA GLY A 101 -3.318 0.387 2.626 1.00 0.70 C ATOM 1525 C GLY A 101 -2.240 1.157 1.881 1.00 0.65 C ATOM 1526 O GLY A 101 -2.502 2.245 1.371 1.00 0.75 O ATOM 0 H GLY A 101 -3.196 0.542 4.701 1.00 0.70 H new ATOM 0 HA2 GLY A 101 -3.616 -0.480 2.037 1.00 0.70 H new ATOM 0 HA3 GLY A 101 -4.201 1.016 2.737 1.00 0.70 H new ATOM 1530 N VAL A 102 -1.035 0.586 1.816 1.00 0.60 N ATOM 1531 CA VAL A 102 0.096 1.145 1.104 1.00 0.55 C ATOM 1532 C VAL A 102 0.294 0.312 -0.155 1.00 0.57 C ATOM 1533 O VAL A 102 0.452 -0.903 -0.071 1.00 0.60 O ATOM 1534 CB VAL A 102 1.352 1.176 1.988 1.00 0.51 C ATOM 1535 CG1 VAL A 102 2.472 1.900 1.227 1.00 0.52 C ATOM 1536 CG2 VAL A 102 1.090 1.884 3.323 1.00 0.51 C ATOM 0 H VAL A 102 -0.823 -0.301 2.272 1.00 0.60 H new ATOM 0 HA VAL A 102 -0.094 2.183 0.831 1.00 0.55 H new ATOM 0 HB VAL A 102 1.643 0.150 2.213 1.00 0.51 H new ATOM 0 HG11 VAL A 102 3.371 1.929 1.843 1.00 0.52 H new ATOM 0 HG12 VAL A 102 2.685 1.368 0.300 1.00 0.52 H new ATOM 0 HG13 VAL A 102 2.157 2.918 0.997 1.00 0.52 H new ATOM 0 HG21 VAL A 102 2.002 1.885 3.919 1.00 0.51 H new ATOM 0 HG22 VAL A 102 0.778 2.911 3.135 1.00 0.51 H new ATOM 0 HG23 VAL A 102 0.303 1.359 3.865 1.00 0.51 H new ATOM 1546 N ALA A 103 0.252 0.968 -1.315 1.00 0.59 N ATOM 1547 CA ALA A 103 0.477 0.324 -2.592 1.00 0.63 C ATOM 1548 C ALA A 103 1.977 0.185 -2.842 1.00 0.69 C ATOM 1549 O ALA A 103 2.434 -0.847 -3.324 1.00 0.86 O ATOM 1550 CB ALA A 103 -0.184 1.134 -3.704 1.00 0.67 C ATOM 0 H ALA A 103 0.059 1.967 -1.386 1.00 0.59 H new ATOM 0 HA ALA A 103 0.034 -0.672 -2.580 1.00 0.63 H new ATOM 0 HB1 ALA A 103 -0.011 0.645 -4.663 1.00 0.67 H new ATOM 0 HB2 ALA A 103 -1.256 1.200 -3.518 1.00 0.67 H new ATOM 0 HB3 ALA A 103 0.243 2.137 -3.727 1.00 0.67 H new ATOM 1556 N ASN A 104 2.746 1.238 -2.539 1.00 0.61 N ATOM 1557 CA ASN A 104 4.195 1.259 -2.714 1.00 0.62 C ATOM 1558 C ASN A 104 4.799 2.246 -1.726 1.00 0.54 C ATOM 1559 O ASN A 104 4.100 3.129 -1.230 1.00 0.56 O ATOM 1560 CB ASN A 104 4.577 1.692 -4.138 1.00 0.69 C ATOM 1561 CG ASN A 104 4.294 0.628 -5.187 1.00 0.70 C ATOM 1562 OD1 ASN A 104 5.055 -0.324 -5.334 1.00 0.92 O ATOM 1563 ND2 ASN A 104 3.221 0.794 -5.952 1.00 0.67 N ATOM 0 H ASN A 104 2.370 2.108 -2.161 1.00 0.61 H new ATOM 0 HA ASN A 104 4.576 0.253 -2.541 1.00 0.62 H new ATOM 0 HB2 ASN A 104 4.029 2.599 -4.394 1.00 0.69 H new ATOM 0 HB3 ASN A 104 5.638 1.943 -4.162 1.00 0.69 H new ATOM 0 HD21 ASN A 104 3.010 0.119 -6.687 1.00 0.67 H new ATOM 0 HD22 ASN A 104 2.608 1.596 -5.804 1.00 0.67 H new ATOM 1570 N ALA A 105 6.107 2.134 -1.478 1.00 0.48 N ATOM 1571 CA ALA A 105 6.833 3.122 -0.683 1.00 0.45 C ATOM 1572 C ALA A 105 8.354 3.057 -0.890 1.00 0.43 C ATOM 1573 O ALA A 105 9.074 2.682 0.034 1.00 0.47 O ATOM 1574 CB ALA A 105 6.493 2.970 0.806 1.00 0.53 C ATOM 0 H ALA A 105 6.684 1.365 -1.819 1.00 0.48 H new ATOM 0 HA ALA A 105 6.507 4.102 -1.032 1.00 0.45 H new ATOM 0 HB1 ALA A 105 7.043 3.714 1.383 1.00 0.53 H new ATOM 0 HB2 ALA A 105 5.423 3.116 0.952 1.00 0.53 H new ATOM 0 HB3 ALA A 105 6.772 1.971 1.143 1.00 0.53 H new ATOM 1580 N PRO A 106 8.876 3.396 -2.080 1.00 0.44 N ATOM 1581 CA PRO A 106 10.310 3.371 -2.325 1.00 0.50 C ATOM 1582 C PRO A 106 11.024 4.478 -1.537 1.00 0.48 C ATOM 1583 O PRO A 106 10.459 5.548 -1.301 1.00 0.52 O ATOM 1584 CB PRO A 106 10.467 3.524 -3.841 1.00 0.59 C ATOM 1585 CG PRO A 106 9.210 4.287 -4.259 1.00 0.58 C ATOM 1586 CD PRO A 106 8.149 3.786 -3.275 1.00 0.50 C ATOM 0 HA PRO A 106 10.772 2.444 -1.985 1.00 0.50 H new ATOM 0 HB2 PRO A 106 11.373 4.074 -4.097 1.00 0.59 H new ATOM 0 HB3 PRO A 106 10.531 2.555 -4.337 1.00 0.59 H new ATOM 0 HG2 PRO A 106 9.351 5.365 -4.184 1.00 0.58 H new ATOM 0 HG3 PRO A 106 8.934 4.072 -5.291 1.00 0.58 H new ATOM 0 HD2 PRO A 106 7.421 4.566 -3.053 1.00 0.50 H new ATOM 0 HD3 PRO A 106 7.597 2.943 -3.690 1.00 0.50 H new ATOM 1594 N VAL A 107 12.270 4.203 -1.132 1.00 0.49 N ATOM 1595 CA VAL A 107 13.093 5.068 -0.293 1.00 0.51 C ATOM 1596 C VAL A 107 14.404 5.371 -1.017 1.00 0.74 C ATOM 1597 O VAL A 107 14.913 4.517 -1.743 1.00 0.91 O ATOM 1598 CB VAL A 107 13.343 4.385 1.067 1.00 0.65 C ATOM 1599 CG1 VAL A 107 14.073 5.328 2.029 1.00 1.76 C ATOM 1600 CG2 VAL A 107 12.024 3.974 1.730 1.00 2.55 C ATOM 0 H VAL A 107 12.746 3.339 -1.392 1.00 0.49 H new ATOM 0 HA VAL A 107 12.579 6.011 -0.105 1.00 0.51 H new ATOM 0 HB VAL A 107 13.953 3.504 0.868 1.00 0.65 H new ATOM 0 HG11 VAL A 107 14.237 4.822 2.980 1.00 1.76 H new ATOM 0 HG12 VAL A 107 15.033 5.614 1.600 1.00 1.76 H new ATOM 0 HG13 VAL A 107 13.469 6.220 2.192 1.00 1.76 H new ATOM 0 HG21 VAL A 107 12.232 3.495 2.687 1.00 2.55 H new ATOM 0 HG22 VAL A 107 11.408 4.858 1.893 1.00 2.55 H new ATOM 0 HG23 VAL A 107 11.493 3.276 1.083 1.00 2.55 H new ATOM 1610 N ASN A 108 14.952 6.576 -0.828 1.00 0.81 N ATOM 1611 CA ASN A 108 16.212 7.003 -1.416 1.00 1.09 C ATOM 1612 C ASN A 108 17.278 7.092 -0.335 1.00 1.18 C ATOM 1613 O ASN A 108 16.971 7.385 0.817 1.00 1.99 O ATOM 1614 CB ASN A 108 16.065 8.391 -2.036 1.00 1.15 C ATOM 1615 CG ASN A 108 15.026 8.428 -3.150 1.00 1.26 C ATOM 1616 OD1 ASN A 108 15.309 7.769 -4.272 1.00 1.32 O flip ATOM 1617 ND2 ASN A 108 13.978 9.050 -3.003 1.00 2.23 N flip ATOM 0 H ASN A 108 14.517 7.293 -0.248 1.00 0.81 H new ATOM 0 HA ASN A 108 16.494 6.278 -2.179 1.00 1.09 H new ATOM 0 HB2 ASN A 108 15.786 9.104 -1.260 1.00 1.15 H new ATOM 0 HB3 ASN A 108 17.028 8.712 -2.432 1.00 1.15 H new ATOM 0 HD21 ASN A 108 13.796 9.543 -2.129 1.00 2.23 H new ATOM 0 HD22 ASN A 108 13.289 9.074 -3.755 1.00 2.23 H new ATOM 1624 N PHE A 109 18.539 6.903 -0.737 1.00 1.21 N ATOM 1625 CA PHE A 109 19.696 6.986 0.148 1.00 1.22 C ATOM 1626 C PHE A 109 20.571 8.210 -0.144 1.00 1.36 C ATOM 1627 O PHE A 109 21.622 8.367 0.470 1.00 1.78 O ATOM 1628 CB PHE A 109 20.510 5.690 0.020 1.00 1.27 C ATOM 1629 CG PHE A 109 20.797 5.036 1.351 1.00 1.34 C ATOM 1630 CD1 PHE A 109 19.766 4.347 2.013 1.00 2.05 C ATOM 1631 CD2 PHE A 109 22.055 5.173 1.961 1.00 2.33 C ATOM 1632 CE1 PHE A 109 20.005 3.758 3.263 1.00 2.20 C ATOM 1633 CE2 PHE A 109 22.299 4.573 3.208 1.00 2.49 C ATOM 1634 CZ PHE A 109 21.276 3.857 3.858 1.00 1.79 C ATOM 0 H PHE A 109 18.784 6.685 -1.703 1.00 1.21 H new ATOM 0 HA PHE A 109 19.338 7.105 1.171 1.00 1.22 H new ATOM 0 HB2 PHE A 109 19.967 4.988 -0.613 1.00 1.27 H new ATOM 0 HB3 PHE A 109 21.453 5.908 -0.482 1.00 1.27 H new ATOM 0 HD1 PHE A 109 18.789 4.271 1.559 1.00 2.05 H new ATOM 0 HD2 PHE A 109 22.834 5.739 1.472 1.00 2.33 H new ATOM 0 HE1 PHE A 109 19.212 3.228 3.770 1.00 2.20 H new ATOM 0 HE2 PHE A 109 23.272 4.661 3.668 1.00 2.49 H new ATOM 0 HZ PHE A 109 21.466 3.385 4.811 1.00 1.79 H new ATOM 1644 N ALA A 110 20.165 9.045 -1.107 1.00 1.16 N ATOM 1645 CA ALA A 110 20.892 10.243 -1.518 1.00 1.25 C ATOM 1646 C ALA A 110 20.126 11.482 -1.069 1.00 1.17 C ATOM 1647 O ALA A 110 20.695 12.409 -0.504 1.00 1.37 O ATOM 1648 CB ALA A 110 21.069 10.236 -3.040 1.00 1.44 C ATOM 0 H ALA A 110 19.302 8.900 -1.632 1.00 1.16 H new ATOM 0 HA ALA A 110 21.878 10.256 -1.053 1.00 1.25 H new ATOM 0 HB1 ALA A 110 21.612 11.130 -3.347 1.00 1.44 H new ATOM 0 HB2 ALA A 110 21.631 9.350 -3.337 1.00 1.44 H new ATOM 0 HB3 ALA A 110 20.090 10.223 -3.520 1.00 1.44 H new ATOM 1654 N LEU A 111 18.818 11.492 -1.341 1.00 1.07 N ATOM 1655 CA LEU A 111 17.938 12.593 -0.982 1.00 1.10 C ATOM 1656 C LEU A 111 17.519 12.513 0.488 1.00 0.90 C ATOM 1657 O LEU A 111 17.079 13.517 1.039 1.00 0.90 O ATOM 1658 CB LEU A 111 16.682 12.554 -1.860 1.00 1.39 C ATOM 1659 CG LEU A 111 16.933 12.374 -3.365 1.00 1.41 C ATOM 1660 CD1 LEU A 111 15.597 12.481 -4.110 1.00 1.69 C ATOM 1661 CD2 LEU A 111 17.911 13.416 -3.920 1.00 1.33 C ATOM 0 H LEU A 111 18.342 10.728 -1.820 1.00 1.07 H new ATOM 0 HA LEU A 111 18.482 13.524 -1.139 1.00 1.10 H new ATOM 0 HB2 LEU A 111 16.044 11.740 -1.516 1.00 1.39 H new ATOM 0 HB3 LEU A 111 16.126 13.480 -1.710 1.00 1.39 H new ATOM 0 HG LEU A 111 17.382 11.392 -3.514 1.00 1.41 H new ATOM 0 HD11 LEU A 111 15.766 12.354 -5.179 1.00 1.69 H new ATOM 0 HD12 LEU A 111 14.919 11.705 -3.755 1.00 1.69 H new ATOM 0 HD13 LEU A 111 15.155 13.460 -3.926 1.00 1.69 H new ATOM 0 HD21 LEU A 111 18.056 13.247 -4.987 1.00 1.33 H new ATOM 0 HD22 LEU A 111 17.506 14.416 -3.763 1.00 1.33 H new ATOM 0 HD23 LEU A 111 18.868 13.327 -3.405 1.00 1.33 H new ATOM 1673 N GLU A 112 17.592 11.314 1.083 1.00 0.81 N ATOM 1674 CA GLU A 112 17.115 11.021 2.430 1.00 0.68 C ATOM 1675 C GLU A 112 15.590 11.189 2.503 1.00 0.55 C ATOM 1676 O GLU A 112 15.050 11.762 3.450 1.00 0.55 O ATOM 1677 CB GLU A 112 17.898 11.840 3.472 1.00 0.77 C ATOM 1678 CG GLU A 112 19.418 11.638 3.309 1.00 0.93 C ATOM 1679 CD GLU A 112 20.249 12.450 4.297 1.00 1.60 C ATOM 1680 OE1 GLU A 112 19.650 13.248 5.049 1.00 2.67 O ATOM 1681 OE2 GLU A 112 21.479 12.237 4.296 1.00 2.20 O ATOM 0 H GLU A 112 17.998 10.500 0.621 1.00 0.81 H new ATOM 0 HA GLU A 112 17.310 9.977 2.677 1.00 0.68 H new ATOM 0 HB2 GLU A 112 17.655 12.897 3.365 1.00 0.77 H new ATOM 0 HB3 GLU A 112 17.594 11.543 4.476 1.00 0.77 H new ATOM 0 HG2 GLU A 112 19.651 10.581 3.433 1.00 0.93 H new ATOM 0 HG3 GLU A 112 19.706 11.911 2.294 1.00 0.93 H new ATOM 1688 N THR A 113 14.892 10.664 1.486 1.00 0.52 N ATOM 1689 CA THR A 113 13.450 10.780 1.317 1.00 0.47 C ATOM 1690 C THR A 113 12.809 9.405 1.156 1.00 0.41 C ATOM 1691 O THR A 113 13.448 8.477 0.656 1.00 0.49 O ATOM 1692 CB THR A 113 13.146 11.648 0.090 1.00 0.70 C ATOM 1693 OG1 THR A 113 13.800 11.153 -1.064 1.00 0.96 O ATOM 1694 CG2 THR A 113 13.653 13.070 0.323 1.00 0.69 C ATOM 0 H THR A 113 15.337 10.131 0.738 1.00 0.52 H new ATOM 0 HA THR A 113 13.031 11.248 2.208 1.00 0.47 H new ATOM 0 HB THR A 113 12.066 11.631 -0.060 1.00 0.70 H new ATOM 0 HG1 THR A 113 13.587 11.724 -1.831 1.00 0.96 H new ATOM 0 HG21 THR A 113 13.434 13.682 -0.552 1.00 0.69 H new ATOM 0 HG22 THR A 113 13.157 13.495 1.196 1.00 0.69 H new ATOM 0 HG23 THR A 113 14.730 13.049 0.491 1.00 0.69 H new ATOM 1702 N VAL A 114 11.533 9.304 1.538 1.00 0.38 N ATOM 1703 CA VAL A 114 10.669 8.165 1.252 1.00 0.39 C ATOM 1704 C VAL A 114 9.443 8.656 0.494 1.00 0.36 C ATOM 1705 O VAL A 114 8.766 9.578 0.944 1.00 0.34 O ATOM 1706 CB VAL A 114 10.298 7.382 2.529 1.00 0.40 C ATOM 1707 CG1 VAL A 114 9.771 8.254 3.673 1.00 0.39 C ATOM 1708 CG2 VAL A 114 9.243 6.301 2.252 1.00 0.52 C ATOM 0 H VAL A 114 11.063 10.036 2.070 1.00 0.38 H new ATOM 0 HA VAL A 114 11.209 7.455 0.626 1.00 0.39 H new ATOM 0 HB VAL A 114 11.243 6.937 2.841 1.00 0.40 H new ATOM 0 HG11 VAL A 114 9.534 7.625 4.531 1.00 0.39 H new ATOM 0 HG12 VAL A 114 10.531 8.982 3.956 1.00 0.39 H new ATOM 0 HG13 VAL A 114 8.872 8.777 3.348 1.00 0.39 H new ATOM 0 HG21 VAL A 114 9.011 5.774 3.177 1.00 0.52 H new ATOM 0 HG22 VAL A 114 8.338 6.767 1.863 1.00 0.52 H new ATOM 0 HG23 VAL A 114 9.631 5.594 1.519 1.00 0.52 H new ATOM 1718 N THR A 115 9.140 8.013 -0.632 1.00 0.44 N ATOM 1719 CA THR A 115 7.856 8.173 -1.284 1.00 0.46 C ATOM 1720 C THR A 115 6.901 7.238 -0.556 1.00 0.42 C ATOM 1721 O THR A 115 7.301 6.140 -0.176 1.00 0.70 O ATOM 1722 CB THR A 115 7.981 7.787 -2.761 1.00 0.64 C ATOM 1723 OG1 THR A 115 8.975 8.591 -3.364 1.00 0.70 O ATOM 1724 CG2 THR A 115 6.661 7.948 -3.524 1.00 0.76 C ATOM 0 H THR A 115 9.776 7.374 -1.109 1.00 0.44 H new ATOM 0 HA THR A 115 7.498 9.202 -1.246 1.00 0.46 H new ATOM 0 HB THR A 115 8.254 6.733 -2.807 1.00 0.64 H new ATOM 0 HG1 THR A 115 9.062 8.349 -4.310 1.00 0.70 H new ATOM 0 HG21 THR A 115 6.805 7.661 -4.566 1.00 0.76 H new ATOM 0 HG22 THR A 115 5.900 7.310 -3.074 1.00 0.76 H new ATOM 0 HG23 THR A 115 6.337 8.988 -3.476 1.00 0.76 H new ATOM 1732 N VAL A 116 5.654 7.653 -0.358 1.00 0.42 N ATOM 1733 CA VAL A 116 4.614 6.817 0.208 1.00 0.43 C ATOM 1734 C VAL A 116 3.447 6.877 -0.771 1.00 0.47 C ATOM 1735 O VAL A 116 2.925 7.956 -1.041 1.00 0.56 O ATOM 1736 CB VAL A 116 4.290 7.270 1.644 1.00 0.52 C ATOM 1737 CG1 VAL A 116 3.620 8.647 1.731 1.00 0.68 C ATOM 1738 CG2 VAL A 116 3.431 6.216 2.347 1.00 0.60 C ATOM 0 H VAL A 116 5.338 8.594 -0.591 1.00 0.42 H new ATOM 0 HA VAL A 116 4.910 5.774 0.323 1.00 0.43 H new ATOM 0 HB VAL A 116 5.249 7.373 2.151 1.00 0.52 H new ATOM 0 HG11 VAL A 116 3.425 8.892 2.775 1.00 0.68 H new ATOM 0 HG12 VAL A 116 4.279 9.400 1.299 1.00 0.68 H new ATOM 0 HG13 VAL A 116 2.679 8.629 1.181 1.00 0.68 H new ATOM 0 HG21 VAL A 116 3.208 6.546 3.361 1.00 0.60 H new ATOM 0 HG22 VAL A 116 2.500 6.079 1.797 1.00 0.60 H new ATOM 0 HG23 VAL A 116 3.973 5.271 2.384 1.00 0.60 H new ATOM 1748 N GLU A 117 3.102 5.735 -1.367 1.00 0.51 N ATOM 1749 CA GLU A 117 1.987 5.604 -2.285 1.00 0.57 C ATOM 1750 C GLU A 117 0.938 4.811 -1.508 1.00 0.57 C ATOM 1751 O GLU A 117 1.051 3.587 -1.404 1.00 0.54 O ATOM 1752 CB GLU A 117 2.460 4.869 -3.554 1.00 0.64 C ATOM 1753 CG GLU A 117 1.812 5.405 -4.834 1.00 0.96 C ATOM 1754 CD GLU A 117 0.287 5.426 -4.795 1.00 2.50 C ATOM 1755 OE1 GLU A 117 -0.283 4.425 -4.313 1.00 3.31 O ATOM 1756 OE2 GLU A 117 -0.285 6.436 -5.256 1.00 3.71 O ATOM 0 H GLU A 117 3.605 4.861 -1.217 1.00 0.51 H new ATOM 0 HA GLU A 117 1.578 6.557 -2.620 1.00 0.57 H new ATOM 0 HB2 GLU A 117 3.543 4.959 -3.637 1.00 0.64 H new ATOM 0 HB3 GLU A 117 2.235 3.807 -3.457 1.00 0.64 H new ATOM 0 HG2 GLU A 117 2.175 6.417 -5.017 1.00 0.96 H new ATOM 0 HG3 GLU A 117 2.135 4.794 -5.676 1.00 0.96 H new ATOM 1763 N TYR A 118 -0.001 5.498 -0.856 1.00 0.59 N ATOM 1764 CA TYR A 118 -0.903 4.855 0.093 1.00 0.57 C ATOM 1765 C TYR A 118 -2.244 5.561 0.138 1.00 0.57 C ATOM 1766 O TYR A 118 -2.358 6.703 -0.309 1.00 0.63 O ATOM 1767 CB TYR A 118 -0.287 4.809 1.497 1.00 0.55 C ATOM 1768 CG TYR A 118 -0.457 6.057 2.347 1.00 0.49 C ATOM 1769 CD1 TYR A 118 0.088 7.287 1.937 1.00 1.74 C ATOM 1770 CD2 TYR A 118 -1.157 5.978 3.566 1.00 1.65 C ATOM 1771 CE1 TYR A 118 0.001 8.411 2.777 1.00 1.70 C ATOM 1772 CE2 TYR A 118 -1.236 7.100 4.408 1.00 1.70 C ATOM 1773 CZ TYR A 118 -0.652 8.315 4.017 1.00 0.51 C ATOM 1774 OH TYR A 118 -0.691 9.388 4.860 1.00 0.66 O ATOM 0 H TYR A 118 -0.155 6.500 -0.970 1.00 0.59 H new ATOM 0 HA TYR A 118 -1.061 3.833 -0.250 1.00 0.57 H new ATOM 0 HB2 TYR A 118 -0.723 3.967 2.035 1.00 0.55 H new ATOM 0 HB3 TYR A 118 0.779 4.606 1.397 1.00 0.55 H new ATOM 0 HD1 TYR A 118 0.574 7.368 0.976 1.00 1.74 H new ATOM 0 HD2 TYR A 118 -1.634 5.053 3.854 1.00 1.65 H new ATOM 0 HE1 TYR A 118 0.437 9.350 2.468 1.00 1.70 H new ATOM 0 HE2 TYR A 118 -1.747 7.028 5.357 1.00 1.70 H new ATOM 0 HH TYR A 118 -0.676 10.216 4.336 1.00 0.66 H new ATOM 1784 N ASN A 119 -3.270 4.851 0.608 1.00 0.57 N ATOM 1785 CA ASN A 119 -4.610 5.397 0.651 1.00 0.56 C ATOM 1786 C ASN A 119 -4.742 6.241 1.911 1.00 0.52 C ATOM 1787 O ASN A 119 -4.756 5.673 3.005 1.00 0.58 O ATOM 1788 CB ASN A 119 -5.673 4.293 0.610 1.00 0.72 C ATOM 1789 CG ASN A 119 -7.059 4.927 0.531 1.00 1.09 C ATOM 1790 OD1 ASN A 119 -7.211 6.042 0.055 1.00 1.80 O ATOM 1791 ND2 ASN A 119 -8.099 4.276 1.020 1.00 2.04 N ATOM 0 H ASN A 119 -3.190 3.898 0.962 1.00 0.57 H new ATOM 0 HA ASN A 119 -4.776 6.017 -0.230 1.00 0.56 H new ATOM 0 HB2 ASN A 119 -5.508 3.645 -0.251 1.00 0.72 H new ATOM 0 HB3 ASN A 119 -5.597 3.667 1.499 1.00 0.72 H new ATOM 0 HD21 ASN A 119 -9.025 4.704 0.999 1.00 2.04 H new ATOM 0 HD22 ASN A 119 -7.977 3.345 1.418 1.00 2.04 H new ATOM 1798 N PRO A 120 -4.892 7.571 1.802 1.00 0.50 N ATOM 1799 CA PRO A 120 -4.986 8.434 2.965 1.00 0.49 C ATOM 1800 C PRO A 120 -6.363 8.324 3.630 1.00 0.53 C ATOM 1801 O PRO A 120 -6.704 9.176 4.448 1.00 0.61 O ATOM 1802 CB PRO A 120 -4.744 9.843 2.418 1.00 0.51 C ATOM 1803 CG PRO A 120 -5.405 9.767 1.045 1.00 0.54 C ATOM 1804 CD PRO A 120 -5.010 8.366 0.584 1.00 0.53 C ATOM 0 HA PRO A 120 -4.266 8.163 3.738 1.00 0.49 H new ATOM 0 HB2 PRO A 120 -5.197 10.609 3.047 1.00 0.51 H new ATOM 0 HB3 PRO A 120 -3.682 10.077 2.347 1.00 0.51 H new ATOM 0 HG2 PRO A 120 -6.487 9.888 1.105 1.00 0.54 H new ATOM 0 HG3 PRO A 120 -5.035 10.539 0.370 1.00 0.54 H new ATOM 0 HD2 PRO A 120 -5.761 7.948 -0.086 1.00 0.53 H new ATOM 0 HD3 PRO A 120 -4.068 8.385 0.035 1.00 0.53 H new ATOM 1812 N LYS A 121 -7.187 7.331 3.254 1.00 0.57 N ATOM 1813 CA LYS A 121 -8.463 7.093 3.918 1.00 0.62 C ATOM 1814 C LYS A 121 -8.333 5.936 4.910 1.00 0.60 C ATOM 1815 O LYS A 121 -8.679 6.103 6.077 1.00 0.71 O ATOM 1816 CB LYS A 121 -9.589 6.876 2.903 1.00 0.71 C ATOM 1817 CG LYS A 121 -9.554 7.872 1.734 1.00 1.85 C ATOM 1818 CD LYS A 121 -9.573 9.340 2.177 1.00 3.11 C ATOM 1819 CE LYS A 121 -9.741 10.235 0.940 1.00 4.52 C ATOM 1820 NZ LYS A 121 -9.417 11.646 1.229 1.00 5.82 N ATOM 0 H LYS A 121 -6.984 6.684 2.492 1.00 0.57 H new ATOM 0 HA LYS A 121 -8.735 7.982 4.486 1.00 0.62 H new ATOM 0 HB2 LYS A 121 -9.523 5.862 2.509 1.00 0.71 H new ATOM 0 HB3 LYS A 121 -10.549 6.958 3.413 1.00 0.71 H new ATOM 0 HG2 LYS A 121 -8.657 7.692 1.141 1.00 1.85 H new ATOM 0 HG3 LYS A 121 -10.409 7.686 1.084 1.00 1.85 H new ATOM 0 HD2 LYS A 121 -10.390 9.511 2.879 1.00 3.11 H new ATOM 0 HD3 LYS A 121 -8.648 9.588 2.698 1.00 3.11 H new ATOM 0 HE2 LYS A 121 -9.096 9.872 0.140 1.00 4.52 H new ATOM 0 HE3 LYS A 121 -10.767 10.165 0.579 1.00 4.52 H new ATOM 0 HZ1 LYS A 121 -9.544 12.215 0.368 1.00 5.82 H new ATOM 0 HZ2 LYS A 121 -10.049 12.002 1.975 1.00 5.82 H new ATOM 0 HZ3 LYS A 121 -8.430 11.717 1.549 1.00 5.82 H new ATOM 1834 N GLU A 122 -7.828 4.776 4.467 1.00 0.60 N ATOM 1835 CA GLU A 122 -7.578 3.663 5.378 1.00 0.58 C ATOM 1836 C GLU A 122 -6.599 4.083 6.484 1.00 0.55 C ATOM 1837 O GLU A 122 -6.862 3.841 7.659 1.00 0.60 O ATOM 1838 CB GLU A 122 -7.073 2.404 4.641 1.00 0.61 C ATOM 1839 CG GLU A 122 -8.141 1.304 4.468 1.00 0.70 C ATOM 1840 CD GLU A 122 -9.102 1.532 3.311 1.00 1.82 C ATOM 1841 OE1 GLU A 122 -8.619 2.061 2.290 1.00 3.06 O ATOM 1842 OE2 GLU A 122 -10.288 1.152 3.433 1.00 2.63 O ATOM 0 H GLU A 122 -7.589 4.590 3.493 1.00 0.60 H new ATOM 0 HA GLU A 122 -8.531 3.398 5.836 1.00 0.58 H new ATOM 0 HB2 GLU A 122 -6.704 2.695 3.657 1.00 0.61 H new ATOM 0 HB3 GLU A 122 -6.226 1.990 5.189 1.00 0.61 H new ATOM 0 HG2 GLU A 122 -7.639 0.348 4.323 1.00 0.70 H new ATOM 0 HG3 GLU A 122 -8.716 1.225 5.391 1.00 0.70 H new ATOM 1849 N ALA A 123 -5.470 4.697 6.108 1.00 0.53 N ATOM 1850 CA ALA A 123 -4.449 5.159 7.043 1.00 0.51 C ATOM 1851 C ALA A 123 -4.208 6.653 6.826 1.00 0.49 C ATOM 1852 O ALA A 123 -4.842 7.271 5.976 1.00 0.52 O ATOM 1853 CB ALA A 123 -3.173 4.332 6.849 1.00 0.51 C ATOM 0 H ALA A 123 -5.242 4.887 5.132 1.00 0.53 H new ATOM 0 HA ALA A 123 -4.778 5.022 8.073 1.00 0.51 H new ATOM 0 HB1 ALA A 123 -2.408 4.674 7.546 1.00 0.51 H new ATOM 0 HB2 ALA A 123 -3.389 3.280 7.036 1.00 0.51 H new ATOM 0 HB3 ALA A 123 -2.813 4.453 5.827 1.00 0.51 H new ATOM 1859 N SER A 124 -3.301 7.256 7.597 1.00 0.48 N ATOM 1860 CA SER A 124 -2.934 8.664 7.492 1.00 0.45 C ATOM 1861 C SER A 124 -1.588 8.843 8.190 1.00 0.44 C ATOM 1862 O SER A 124 -1.184 7.973 8.954 1.00 0.58 O ATOM 1863 CB SER A 124 -4.007 9.537 8.160 1.00 0.57 C ATOM 1864 OG SER A 124 -5.155 9.655 7.342 1.00 2.33 O ATOM 0 H SER A 124 -2.790 6.763 8.330 1.00 0.48 H new ATOM 0 HA SER A 124 -2.860 8.967 6.448 1.00 0.45 H new ATOM 0 HB2 SER A 124 -4.285 9.104 9.121 1.00 0.57 H new ATOM 0 HB3 SER A 124 -3.599 10.527 8.363 1.00 0.57 H new ATOM 0 HG SER A 124 -5.154 8.940 6.672 1.00 2.33 H new ATOM 1870 N VAL A 125 -0.906 9.968 7.968 1.00 0.44 N ATOM 1871 CA VAL A 125 0.402 10.270 8.503 1.00 0.52 C ATOM 1872 C VAL A 125 0.604 9.916 9.981 1.00 0.49 C ATOM 1873 O VAL A 125 1.708 9.544 10.359 1.00 0.48 O ATOM 1874 CB VAL A 125 0.699 11.746 8.235 1.00 0.60 C ATOM 1875 CG1 VAL A 125 0.793 12.041 6.733 1.00 1.98 C ATOM 1876 CG2 VAL A 125 -0.291 12.720 8.891 1.00 1.86 C ATOM 0 H VAL A 125 -1.275 10.719 7.384 1.00 0.44 H new ATOM 0 HA VAL A 125 1.114 9.624 7.989 1.00 0.52 H new ATOM 0 HB VAL A 125 1.667 11.919 8.705 1.00 0.60 H new ATOM 0 HG11 VAL A 125 1.005 13.100 6.583 1.00 1.98 H new ATOM 0 HG12 VAL A 125 1.593 11.445 6.294 1.00 1.98 H new ATOM 0 HG13 VAL A 125 -0.152 11.789 6.253 1.00 1.98 H new ATOM 0 HG21 VAL A 125 -0.007 13.744 8.650 1.00 1.86 H new ATOM 0 HG22 VAL A 125 -1.296 12.525 8.517 1.00 1.86 H new ATOM 0 HG23 VAL A 125 -0.274 12.583 9.972 1.00 1.86 H new ATOM 1886 N SER A 126 -0.421 10.035 10.828 1.00 0.53 N ATOM 1887 CA SER A 126 -0.363 9.618 12.223 1.00 0.59 C ATOM 1888 C SER A 126 0.158 8.181 12.376 1.00 0.54 C ATOM 1889 O SER A 126 0.994 7.904 13.235 1.00 0.57 O ATOM 1890 CB SER A 126 -1.773 9.749 12.803 1.00 0.74 C ATOM 1891 OG SER A 126 -2.336 10.978 12.373 1.00 0.90 O ATOM 0 H SER A 126 -1.322 10.428 10.558 1.00 0.53 H new ATOM 0 HA SER A 126 0.339 10.254 12.763 1.00 0.59 H new ATOM 0 HB2 SER A 126 -2.394 8.915 12.475 1.00 0.74 H new ATOM 0 HB3 SER A 126 -1.737 9.711 13.892 1.00 0.74 H new ATOM 0 HG SER A 126 -3.241 11.069 12.739 1.00 0.90 H new ATOM 1897 N ASP A 127 -0.332 7.280 11.520 1.00 0.52 N ATOM 1898 CA ASP A 127 0.069 5.876 11.517 1.00 0.53 C ATOM 1899 C ASP A 127 1.565 5.792 11.234 1.00 0.50 C ATOM 1900 O ASP A 127 2.339 5.204 11.982 1.00 0.52 O ATOM 1901 CB ASP A 127 -0.726 5.100 10.456 1.00 0.59 C ATOM 1902 CG ASP A 127 -0.019 3.810 10.056 1.00 1.07 C ATOM 1903 OD1 ASP A 127 0.275 3.010 10.968 1.00 1.60 O ATOM 1904 OD2 ASP A 127 0.258 3.682 8.844 1.00 2.17 O ATOM 0 H ASP A 127 -1.023 7.509 10.806 1.00 0.52 H new ATOM 0 HA ASP A 127 -0.141 5.430 12.489 1.00 0.53 H new ATOM 0 HB2 ASP A 127 -1.718 4.867 10.843 1.00 0.59 H new ATOM 0 HB3 ASP A 127 -0.866 5.727 9.575 1.00 0.59 H new ATOM 1909 N LEU A 128 1.964 6.442 10.146 1.00 0.49 N ATOM 1910 CA LEU A 128 3.319 6.417 9.631 1.00 0.48 C ATOM 1911 C LEU A 128 4.274 6.967 10.680 1.00 0.44 C ATOM 1912 O LEU A 128 5.294 6.352 10.978 1.00 0.47 O ATOM 1913 CB LEU A 128 3.399 7.225 8.337 1.00 0.52 C ATOM 1914 CG LEU A 128 2.500 6.659 7.225 1.00 0.58 C ATOM 1915 CD1 LEU A 128 2.654 7.548 5.993 1.00 0.72 C ATOM 1916 CD2 LEU A 128 2.882 5.220 6.853 1.00 0.70 C ATOM 0 H LEU A 128 1.333 7.015 9.586 1.00 0.49 H new ATOM 0 HA LEU A 128 3.607 5.390 9.407 1.00 0.48 H new ATOM 0 HB2 LEU A 128 3.112 8.257 8.540 1.00 0.52 H new ATOM 0 HB3 LEU A 128 4.432 7.244 7.989 1.00 0.52 H new ATOM 0 HG LEU A 128 1.471 6.645 7.584 1.00 0.58 H new ATOM 0 HD11 LEU A 128 2.025 7.167 5.188 1.00 0.72 H new ATOM 0 HD12 LEU A 128 2.352 8.566 6.239 1.00 0.72 H new ATOM 0 HD13 LEU A 128 3.695 7.547 5.671 1.00 0.72 H new ATOM 0 HD21 LEU A 128 2.221 4.861 6.064 1.00 0.70 H new ATOM 0 HD22 LEU A 128 3.913 5.197 6.501 1.00 0.70 H new ATOM 0 HD23 LEU A 128 2.783 4.579 7.729 1.00 0.70 H new ATOM 1928 N LYS A 129 3.917 8.115 11.261 1.00 0.42 N ATOM 1929 CA LYS A 129 4.614 8.687 12.395 1.00 0.45 C ATOM 1930 C LYS A 129 4.807 7.611 13.462 1.00 0.46 C ATOM 1931 O LYS A 129 5.952 7.321 13.795 1.00 0.51 O ATOM 1932 CB LYS A 129 3.846 9.896 12.948 1.00 0.62 C ATOM 1933 CG LYS A 129 3.817 11.104 11.995 1.00 0.79 C ATOM 1934 CD LYS A 129 4.882 12.166 12.336 1.00 0.66 C ATOM 1935 CE LYS A 129 4.412 13.588 11.992 1.00 1.77 C ATOM 1936 NZ LYS A 129 3.332 14.053 12.892 1.00 2.94 N ATOM 0 H LYS A 129 3.124 8.674 10.946 1.00 0.42 H new ATOM 0 HA LYS A 129 5.594 9.044 12.079 1.00 0.45 H new ATOM 0 HB2 LYS A 129 2.822 9.594 13.168 1.00 0.62 H new ATOM 0 HB3 LYS A 129 4.298 10.201 13.892 1.00 0.62 H new ATOM 0 HG2 LYS A 129 3.972 10.757 10.973 1.00 0.79 H new ATOM 0 HG3 LYS A 129 2.829 11.564 12.030 1.00 0.79 H new ATOM 0 HD2 LYS A 129 5.121 12.111 13.398 1.00 0.66 H new ATOM 0 HD3 LYS A 129 5.800 11.946 11.791 1.00 0.66 H new ATOM 0 HE2 LYS A 129 5.257 14.274 12.057 1.00 1.77 H new ATOM 0 HE3 LYS A 129 4.059 13.613 10.961 1.00 1.77 H new ATOM 0 HZ1 LYS A 129 3.255 15.089 12.836 1.00 2.94 H new ATOM 0 HZ2 LYS A 129 2.430 13.623 12.603 1.00 2.94 H new ATOM 0 HZ3 LYS A 129 3.551 13.775 13.870 1.00 2.94 H new ATOM 1950 N GLU A 130 3.729 6.994 13.976 1.00 0.49 N ATOM 1951 CA GLU A 130 3.893 6.041 15.069 1.00 0.55 C ATOM 1952 C GLU A 130 4.786 4.874 14.637 1.00 0.53 C ATOM 1953 O GLU A 130 5.684 4.460 15.366 1.00 0.59 O ATOM 1954 CB GLU A 130 2.548 5.517 15.612 1.00 0.75 C ATOM 1955 CG GLU A 130 2.774 5.065 17.068 1.00 1.56 C ATOM 1956 CD GLU A 130 2.020 3.806 17.492 1.00 1.91 C ATOM 1957 OE1 GLU A 130 0.778 3.813 17.376 1.00 2.61 O ATOM 1958 OE2 GLU A 130 2.698 2.854 17.958 1.00 2.69 O ATOM 0 H GLU A 130 2.769 7.135 13.661 1.00 0.49 H new ATOM 0 HA GLU A 130 4.375 6.580 15.885 1.00 0.55 H new ATOM 0 HB2 GLU A 130 1.788 6.297 15.567 1.00 0.75 H new ATOM 0 HB3 GLU A 130 2.188 4.686 15.005 1.00 0.75 H new ATOM 0 HG2 GLU A 130 3.841 4.895 17.216 1.00 1.56 H new ATOM 0 HG3 GLU A 130 2.486 5.880 17.732 1.00 1.56 H new ATOM 1965 N ALA A 131 4.544 4.340 13.439 1.00 0.52 N ATOM 1966 CA ALA A 131 5.273 3.199 12.923 1.00 0.54 C ATOM 1967 C ALA A 131 6.767 3.509 12.874 1.00 0.48 C ATOM 1968 O ALA A 131 7.592 2.719 13.331 1.00 0.53 O ATOM 1969 CB ALA A 131 4.729 2.841 11.536 1.00 0.58 C ATOM 0 H ALA A 131 3.831 4.695 12.802 1.00 0.52 H new ATOM 0 HA ALA A 131 5.136 2.341 13.582 1.00 0.54 H new ATOM 0 HB1 ALA A 131 5.274 1.983 11.142 1.00 0.58 H new ATOM 0 HB2 ALA A 131 3.670 2.595 11.613 1.00 0.58 H new ATOM 0 HB3 ALA A 131 4.856 3.691 10.865 1.00 0.58 H new ATOM 1975 N VAL A 132 7.117 4.660 12.302 1.00 0.43 N ATOM 1976 CA VAL A 132 8.497 5.056 12.104 1.00 0.38 C ATOM 1977 C VAL A 132 9.126 5.382 13.465 1.00 0.41 C ATOM 1978 O VAL A 132 10.290 5.049 13.700 1.00 0.46 O ATOM 1979 CB VAL A 132 8.563 6.197 11.077 1.00 0.44 C ATOM 1980 CG1 VAL A 132 10.021 6.594 10.828 1.00 1.53 C ATOM 1981 CG2 VAL A 132 7.950 5.763 9.730 1.00 1.71 C ATOM 0 H VAL A 132 6.441 5.344 11.963 1.00 0.43 H new ATOM 0 HA VAL A 132 9.091 4.245 11.682 1.00 0.38 H new ATOM 0 HB VAL A 132 8.000 7.038 11.481 1.00 0.44 H new ATOM 0 HG11 VAL A 132 10.058 7.403 10.099 1.00 1.53 H new ATOM 0 HG12 VAL A 132 10.472 6.927 11.763 1.00 1.53 H new ATOM 0 HG13 VAL A 132 10.572 5.735 10.445 1.00 1.53 H new ATOM 0 HG21 VAL A 132 8.009 6.588 9.021 1.00 1.71 H new ATOM 0 HG22 VAL A 132 8.501 4.908 9.338 1.00 1.71 H new ATOM 0 HG23 VAL A 132 6.906 5.486 9.878 1.00 1.71 H new ATOM 1991 N ASP A 133 8.341 5.968 14.377 1.00 0.44 N ATOM 1992 CA ASP A 133 8.752 6.182 15.758 1.00 0.53 C ATOM 1993 C ASP A 133 9.177 4.847 16.370 1.00 0.58 C ATOM 1994 O ASP A 133 10.306 4.691 16.826 1.00 0.68 O ATOM 1995 CB ASP A 133 7.639 6.869 16.562 1.00 0.62 C ATOM 1996 CG ASP A 133 8.212 7.634 17.744 1.00 1.70 C ATOM 1997 OD1 ASP A 133 8.702 6.959 18.673 1.00 3.07 O ATOM 1998 OD2 ASP A 133 8.150 8.883 17.693 1.00 1.88 O ATOM 0 H ASP A 133 7.401 6.306 14.171 1.00 0.44 H new ATOM 0 HA ASP A 133 9.609 6.855 15.786 1.00 0.53 H new ATOM 0 HB2 ASP A 133 7.087 7.552 15.916 1.00 0.62 H new ATOM 0 HB3 ASP A 133 6.929 6.122 16.917 1.00 0.62 H new ATOM 2003 N LYS A 134 8.306 3.840 16.268 1.00 0.58 N ATOM 2004 CA LYS A 134 8.582 2.474 16.704 1.00 0.64 C ATOM 2005 C LYS A 134 9.837 1.895 16.038 1.00 0.59 C ATOM 2006 O LYS A 134 10.637 1.237 16.701 1.00 0.74 O ATOM 2007 CB LYS A 134 7.345 1.585 16.473 1.00 0.71 C ATOM 2008 CG LYS A 134 6.855 0.966 17.788 1.00 1.03 C ATOM 2009 CD LYS A 134 5.457 0.360 17.603 1.00 1.31 C ATOM 2010 CE LYS A 134 4.794 0.041 18.955 1.00 1.97 C ATOM 2011 NZ LYS A 134 3.442 0.638 19.061 1.00 2.37 N ATOM 0 H LYS A 134 7.373 3.956 15.873 1.00 0.58 H new ATOM 0 HA LYS A 134 8.793 2.497 17.773 1.00 0.64 H new ATOM 0 HB2 LYS A 134 6.546 2.177 16.027 1.00 0.71 H new ATOM 0 HB3 LYS A 134 7.589 0.794 15.764 1.00 0.71 H new ATOM 0 HG2 LYS A 134 7.552 0.195 18.117 1.00 1.03 H new ATOM 0 HG3 LYS A 134 6.829 1.727 18.568 1.00 1.03 H new ATOM 0 HD2 LYS A 134 4.830 1.055 17.045 1.00 1.31 H new ATOM 0 HD3 LYS A 134 5.530 -0.551 17.009 1.00 1.31 H new ATOM 0 HE2 LYS A 134 4.725 -1.040 19.079 1.00 1.97 H new ATOM 0 HE3 LYS A 134 5.421 0.415 19.764 1.00 1.97 H new ATOM 0 HZ1 LYS A 134 3.230 0.843 20.058 1.00 2.37 H new ATOM 0 HZ2 LYS A 134 3.408 1.521 18.512 1.00 2.37 H new ATOM 0 HZ3 LYS A 134 2.737 -0.030 18.687 1.00 2.37 H new ATOM 2025 N LEU A 135 10.022 2.125 14.734 1.00 0.51 N ATOM 2026 CA LEU A 135 11.254 1.737 14.041 1.00 0.54 C ATOM 2027 C LEU A 135 12.478 2.511 14.558 1.00 0.60 C ATOM 2028 O LEU A 135 13.600 2.031 14.398 1.00 0.75 O ATOM 2029 CB LEU A 135 11.096 1.884 12.518 1.00 0.64 C ATOM 2030 CG LEU A 135 10.600 0.622 11.787 1.00 0.70 C ATOM 2031 CD1 LEU A 135 11.722 -0.412 11.638 1.00 0.54 C ATOM 2032 CD2 LEU A 135 9.364 -0.016 12.432 1.00 1.03 C ATOM 0 H LEU A 135 9.332 2.579 14.136 1.00 0.51 H new ATOM 0 HA LEU A 135 11.433 0.685 14.262 1.00 0.54 H new ATOM 0 HB2 LEU A 135 10.400 2.698 12.318 1.00 0.64 H new ATOM 0 HB3 LEU A 135 12.057 2.176 12.095 1.00 0.64 H new ATOM 0 HG LEU A 135 10.293 0.959 10.797 1.00 0.70 H new ATOM 0 HD11 LEU A 135 11.340 -1.291 11.118 1.00 0.54 H new ATOM 0 HD12 LEU A 135 12.542 0.021 11.065 1.00 0.54 H new ATOM 0 HD13 LEU A 135 12.083 -0.702 12.625 1.00 0.54 H new ATOM 0 HD21 LEU A 135 9.072 -0.899 11.864 1.00 1.03 H new ATOM 0 HD22 LEU A 135 9.597 -0.305 13.457 1.00 1.03 H new ATOM 0 HD23 LEU A 135 8.544 0.702 12.434 1.00 1.03 H new ATOM 2044 N GLY A 136 12.276 3.676 15.178 1.00 0.56 N ATOM 2045 CA GLY A 136 13.298 4.430 15.891 1.00 0.63 C ATOM 2046 C GLY A 136 13.755 5.667 15.122 1.00 0.53 C ATOM 2047 O GLY A 136 14.884 6.115 15.314 1.00 0.64 O ATOM 0 H GLY A 136 11.364 4.132 15.195 1.00 0.56 H new ATOM 0 HA2 GLY A 136 12.909 4.734 16.863 1.00 0.63 H new ATOM 0 HA3 GLY A 136 14.156 3.785 16.078 1.00 0.63 H new ATOM 2051 N TYR A 137 12.899 6.226 14.259 1.00 0.54 N ATOM 2052 CA TYR A 137 13.204 7.414 13.463 1.00 0.62 C ATOM 2053 C TYR A 137 11.943 8.280 13.398 1.00 0.77 C ATOM 2054 O TYR A 137 11.013 8.048 14.163 1.00 0.82 O ATOM 2055 CB TYR A 137 13.690 6.985 12.067 1.00 0.52 C ATOM 2056 CG TYR A 137 14.699 5.849 12.066 1.00 0.50 C ATOM 2057 CD1 TYR A 137 16.010 6.063 12.533 1.00 1.99 C ATOM 2058 CD2 TYR A 137 14.286 4.543 11.741 1.00 1.77 C ATOM 2059 CE1 TYR A 137 16.909 4.990 12.639 1.00 2.18 C ATOM 2060 CE2 TYR A 137 15.177 3.465 11.872 1.00 1.65 C ATOM 2061 CZ TYR A 137 16.475 3.683 12.362 1.00 0.81 C ATOM 2062 OH TYR A 137 17.334 2.634 12.507 1.00 1.04 O ATOM 0 H TYR A 137 11.962 5.858 14.094 1.00 0.54 H new ATOM 0 HA TYR A 137 14.004 8.001 13.915 1.00 0.62 H new ATOM 0 HB2 TYR A 137 12.826 6.686 11.473 1.00 0.52 H new ATOM 0 HB3 TYR A 137 14.135 7.848 11.571 1.00 0.52 H new ATOM 0 HD1 TYR A 137 16.326 7.058 12.811 1.00 1.99 H new ATOM 0 HD2 TYR A 137 13.280 4.369 11.389 1.00 1.77 H new ATOM 0 HE1 TYR A 137 17.933 5.169 12.933 1.00 2.18 H new ATOM 0 HE2 TYR A 137 14.864 2.469 11.596 1.00 1.65 H new ATOM 0 HH TYR A 137 18.095 2.748 11.900 1.00 1.04 H new ATOM 2072 N LYS A 138 11.858 9.244 12.477 1.00 0.97 N ATOM 2073 CA LYS A 138 10.592 9.890 12.156 1.00 1.31 C ATOM 2074 C LYS A 138 10.647 10.461 10.745 1.00 0.98 C ATOM 2075 O LYS A 138 11.732 10.648 10.187 1.00 0.81 O ATOM 2076 CB LYS A 138 10.167 10.942 13.194 1.00 1.94 C ATOM 2077 CG LYS A 138 11.126 12.118 13.377 1.00 2.06 C ATOM 2078 CD LYS A 138 12.387 11.695 14.144 1.00 2.28 C ATOM 2079 CE LYS A 138 13.020 12.895 14.850 1.00 2.49 C ATOM 2080 NZ LYS A 138 14.321 12.544 15.448 1.00 3.19 N ATOM 0 H LYS A 138 12.654 9.591 11.943 1.00 0.97 H new ATOM 0 HA LYS A 138 9.814 9.128 12.194 1.00 1.31 H new ATOM 0 HB2 LYS A 138 9.191 11.334 12.908 1.00 1.94 H new ATOM 0 HB3 LYS A 138 10.042 10.446 14.156 1.00 1.94 H new ATOM 0 HG2 LYS A 138 11.407 12.516 12.402 1.00 2.06 H new ATOM 0 HG3 LYS A 138 10.622 12.921 13.916 1.00 2.06 H new ATOM 0 HD2 LYS A 138 12.133 10.929 14.876 1.00 2.28 H new ATOM 0 HD3 LYS A 138 13.106 11.252 13.455 1.00 2.28 H new ATOM 0 HE2 LYS A 138 13.153 13.709 14.138 1.00 2.49 H new ATOM 0 HE3 LYS A 138 12.347 13.258 15.627 1.00 2.49 H new ATOM 0 HZ1 LYS A 138 14.723 13.379 15.919 1.00 3.19 H new ATOM 0 HZ2 LYS A 138 14.189 11.784 16.145 1.00 3.19 H new ATOM 0 HZ3 LYS A 138 14.970 12.221 14.702 1.00 3.19 H new ATOM 2094 N LEU A 139 9.457 10.710 10.190 1.00 0.99 N ATOM 2095 CA LEU A 139 9.265 11.282 8.871 1.00 0.84 C ATOM 2096 C LEU A 139 8.741 12.708 9.004 1.00 0.80 C ATOM 2097 O LEU A 139 7.965 13.008 9.912 1.00 1.03 O ATOM 2098 CB LEU A 139 8.255 10.457 8.066 1.00 1.20 C ATOM 2099 CG LEU A 139 8.587 8.965 7.959 1.00 0.61 C ATOM 2100 CD1 LEU A 139 7.609 8.323 6.976 1.00 1.54 C ATOM 2101 CD2 LEU A 139 10.009 8.707 7.462 1.00 1.26 C ATOM 0 H LEU A 139 8.579 10.510 10.668 1.00 0.99 H new ATOM 0 HA LEU A 139 10.223 11.279 8.352 1.00 0.84 H new ATOM 0 HB2 LEU A 139 7.272 10.564 8.524 1.00 1.20 H new ATOM 0 HB3 LEU A 139 8.186 10.873 7.061 1.00 1.20 H new ATOM 0 HG LEU A 139 8.505 8.537 8.958 1.00 0.61 H new ATOM 0 HD11 LEU A 139 7.829 7.259 6.886 1.00 1.54 H new ATOM 0 HD12 LEU A 139 6.590 8.453 7.340 1.00 1.54 H new ATOM 0 HD13 LEU A 139 7.709 8.798 6.000 1.00 1.54 H new ATOM 0 HD21 LEU A 139 10.186 7.633 7.407 1.00 1.26 H new ATOM 0 HD22 LEU A 139 10.134 9.147 6.472 1.00 1.26 H new ATOM 0 HD23 LEU A 139 10.723 9.157 8.152 1.00 1.26 H new ATOM 2113 N LYS A 140 9.141 13.556 8.062 1.00 0.64 N ATOM 2114 CA LYS A 140 8.658 14.912 7.859 1.00 0.65 C ATOM 2115 C LYS A 140 8.021 14.980 6.475 1.00 0.60 C ATOM 2116 O LYS A 140 8.202 14.070 5.671 1.00 0.65 O ATOM 2117 CB LYS A 140 9.827 15.896 7.925 1.00 0.70 C ATOM 2118 CG LYS A 140 10.552 15.844 9.273 1.00 0.80 C ATOM 2119 CD LYS A 140 11.797 16.732 9.223 1.00 1.66 C ATOM 2120 CE LYS A 140 11.492 18.230 9.211 1.00 1.90 C ATOM 2121 NZ LYS A 140 12.751 18.995 9.193 1.00 2.69 N ATOM 0 H LYS A 140 9.854 13.297 7.380 1.00 0.64 H new ATOM 0 HA LYS A 140 7.934 15.173 8.631 1.00 0.65 H new ATOM 0 HB2 LYS A 140 10.533 15.672 7.126 1.00 0.70 H new ATOM 0 HB3 LYS A 140 9.459 16.907 7.751 1.00 0.70 H new ATOM 0 HG2 LYS A 140 9.886 16.179 10.068 1.00 0.80 H new ATOM 0 HG3 LYS A 140 10.835 14.817 9.505 1.00 0.80 H new ATOM 0 HD2 LYS A 140 12.426 16.507 10.084 1.00 1.66 H new ATOM 0 HD3 LYS A 140 12.374 16.482 8.332 1.00 1.66 H new ATOM 0 HE2 LYS A 140 10.891 18.481 8.337 1.00 1.90 H new ATOM 0 HE3 LYS A 140 10.905 18.498 10.090 1.00 1.90 H new ATOM 0 HZ1 LYS A 140 12.539 20.013 9.185 1.00 2.69 H new ATOM 0 HZ2 LYS A 140 13.309 18.765 10.040 1.00 2.69 H new ATOM 0 HZ3 LYS A 140 13.295 18.748 8.342 1.00 2.69 H new ATOM 2135 N LEU A 141 7.285 16.052 6.195 1.00 0.60 N ATOM 2136 CA LEU A 141 6.484 16.186 4.987 1.00 0.61 C ATOM 2137 C LEU A 141 7.202 17.118 4.017 1.00 0.67 C ATOM 2138 O LEU A 141 7.568 18.232 4.401 1.00 0.95 O ATOM 2139 CB LEU A 141 5.106 16.753 5.348 1.00 0.68 C ATOM 2140 CG LEU A 141 4.467 16.023 6.543 1.00 0.82 C ATOM 2141 CD1 LEU A 141 4.576 16.852 7.827 1.00 1.38 C ATOM 2142 CD2 LEU A 141 2.997 15.737 6.247 1.00 1.66 C ATOM 0 H LEU A 141 7.229 16.863 6.812 1.00 0.60 H new ATOM 0 HA LEU A 141 6.350 15.212 4.517 1.00 0.61 H new ATOM 0 HB2 LEU A 141 5.202 17.813 5.582 1.00 0.68 H new ATOM 0 HB3 LEU A 141 4.446 16.676 4.484 1.00 0.68 H new ATOM 0 HG LEU A 141 5.006 15.087 6.692 1.00 0.82 H new ATOM 0 HD11 LEU A 141 4.115 16.308 8.652 1.00 1.38 H new ATOM 0 HD12 LEU A 141 5.626 17.034 8.054 1.00 1.38 H new ATOM 0 HD13 LEU A 141 4.064 17.804 7.690 1.00 1.38 H new ATOM 0 HD21 LEU A 141 2.549 15.220 7.096 1.00 1.66 H new ATOM 0 HD22 LEU A 141 2.471 16.676 6.075 1.00 1.66 H new ATOM 0 HD23 LEU A 141 2.920 15.110 5.359 1.00 1.66 H new ATOM 2154 N LYS A 142 7.388 16.709 2.761 1.00 0.54 N ATOM 2155 CA LYS A 142 8.036 17.580 1.791 1.00 0.66 C ATOM 2156 C LYS A 142 7.008 18.576 1.255 1.00 0.98 C ATOM 2157 O LYS A 142 6.446 18.408 0.173 1.00 1.19 O ATOM 2158 CB LYS A 142 8.667 16.754 0.673 1.00 0.63 C ATOM 2159 CG LYS A 142 9.783 15.856 1.222 1.00 0.91 C ATOM 2160 CD LYS A 142 10.649 15.312 0.081 1.00 1.17 C ATOM 2161 CE LYS A 142 11.766 16.294 -0.301 1.00 1.74 C ATOM 2162 NZ LYS A 142 12.289 16.006 -1.653 1.00 2.65 N ATOM 0 H LYS A 142 7.104 15.798 2.401 1.00 0.54 H new ATOM 0 HA LYS A 142 8.842 18.138 2.268 1.00 0.66 H new ATOM 0 HB2 LYS A 142 7.904 16.141 0.193 1.00 0.63 H new ATOM 0 HB3 LYS A 142 9.071 17.417 -0.092 1.00 0.63 H new ATOM 0 HG2 LYS A 142 10.403 16.421 1.918 1.00 0.91 H new ATOM 0 HG3 LYS A 142 9.348 15.028 1.782 1.00 0.91 H new ATOM 0 HD2 LYS A 142 11.088 14.360 0.379 1.00 1.17 H new ATOM 0 HD3 LYS A 142 10.023 15.116 -0.790 1.00 1.17 H new ATOM 0 HE2 LYS A 142 11.385 17.315 -0.265 1.00 1.74 H new ATOM 0 HE3 LYS A 142 12.575 16.230 0.426 1.00 1.74 H new ATOM 0 HZ1 LYS A 142 13.270 16.343 -1.725 1.00 2.65 H new ATOM 0 HZ2 LYS A 142 12.261 14.981 -1.825 1.00 2.65 H new ATOM 0 HZ3 LYS A 142 11.704 16.492 -2.362 1.00 2.65 H new