USER MOD reduce.3.24.130724 H: found=0, std=0, add=1158, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1158 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 65 LYS NZ :NH3+ 139:sc= 0.539 (180deg=-0.0825) USER MOD Set 1.2: A 100 GLN : amide:sc= -0.267 K(o=0.27,f=-0.87) USER MOD Set 2.1: A 8 ASN : amide:sc= 0.411 K(o=1.3,f=0.19) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 156:sc= 0.863 (180deg=0.458) USER MOD Set 3.1: A 33 ASN : amide:sc= -0.754 X(o=-4.1,f=-4.3) USER MOD Set 3.2: A 59 ASN : amide:sc= -3.34! C(o=-4.1!,f=-8.7!) USER MOD Set 4.1: A 25 GLN : amide:sc= -0.0102 X(o=-0.01,f=0.053) USER MOD Set 4.2: A 134 HIS : no HD1:sc= 0 X(o=-0.01,f=0.053) USER MOD Single : A 1 MET CE :methyl -152:sc= 0 (180deg=-0.0359) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -138:sc= 0.926 (180deg=0.118) USER MOD Single : A 9 THR OG1 : rot 120:sc= -0.12 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -2 K(o=-2,f=-2.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -133:sc= 0.0128 (180deg=-0.151) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 0.875 (180deg=0.865) USER MOD Single : A 20 LYS NZ :NH3+ 147:sc= -0.232 (180deg=-1.96) USER MOD Single : A 24 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.039) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -1.24 F(o=-2.4!,f=-1.2) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= -0.0143 (180deg=-0.0919) USER MOD Single : A 42 MET CE :methyl -114:sc= -2.7 (180deg=-6.08!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -118:sc= -0.96 (180deg=-3.19!) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= -0.0186 (180deg=-0.202) USER MOD Single : A 50 ASN : amide:sc= 0.0779 X(o=0.078,f=-0.24) USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= 1.22 (180deg=0.863) USER MOD Single : A 58 SER OG : rot -101:sc= 0.217 USER MOD Single : A 62 GLN : amide:sc= 0.178 X(o=0.18,f=0) USER MOD Single : A 67 MET CE :methyl 178:sc= -1.38 (180deg=-1.4) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.206) USER MOD Single : A 83 GLN : amide:sc= -1.75! C(o=-1.7!,f=-3.4!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 88 ASN : amide:sc=-0.00207 K(o=-0.0021,f=-1.5) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0251) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -55:sc= 0.809 USER MOD Single : A 106 LYS NZ :NH3+ -151:sc= 0.621 (180deg=0.296) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl -175:sc= -1.88 (180deg=-2.22) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ -132:sc= -0.198 (180deg=-3.62!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc=-0.00729 X(o=-0.0073,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= -0.0482 X(o=-0.048,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.863 8.812 15.772 1.00 52.00 N ATOM 2 CA MET A 1 2.993 8.586 14.849 1.00 41.32 C ATOM 3 C MET A 1 3.089 7.087 14.496 1.00 62.11 C ATOM 4 O MET A 1 3.523 6.271 15.316 1.00 1.24 O ATOM 5 CB MET A 1 4.323 9.116 15.465 1.00 45.11 C ATOM 6 CG MET A 1 5.563 8.901 14.574 1.00 63.00 C ATOM 7 SD MET A 1 5.362 9.632 12.935 1.00 14.45 S ATOM 8 CE MET A 1 6.877 9.123 12.125 1.00 23.45 C ATOM 0 H1 MET A 1 1.803 9.823 16.006 1.00 52.00 H new ATOM 0 H2 MET A 1 0.978 8.509 15.318 1.00 52.00 H new ATOM 0 H3 MET A 1 2.011 8.263 16.643 1.00 52.00 H new ATOM 0 HA MET A 1 2.818 9.142 13.928 1.00 41.32 H new ATOM 0 HB2 MET A 1 4.216 10.181 15.669 1.00 45.11 H new ATOM 0 HB3 MET A 1 4.488 8.623 16.423 1.00 45.11 H new ATOM 0 HG2 MET A 1 6.437 9.336 15.059 1.00 63.00 H new ATOM 0 HG3 MET A 1 5.754 7.833 14.472 1.00 63.00 H new ATOM 0 HE1 MET A 1 7.141 9.850 11.357 1.00 23.45 H new ATOM 0 HE2 MET A 1 7.680 9.063 12.860 1.00 23.45 H new ATOM 0 HE3 MET A 1 6.733 8.146 11.665 1.00 23.45 H new ATOM 20 N LYS A 2 2.662 6.732 13.271 1.00 4.02 N ATOM 21 CA LYS A 2 2.669 5.342 12.779 1.00 32.04 C ATOM 22 C LYS A 2 2.744 5.375 11.246 1.00 55.04 C ATOM 23 O LYS A 2 1.990 6.114 10.602 1.00 4.33 O ATOM 24 CB LYS A 2 1.384 4.606 13.258 1.00 20.10 C ATOM 25 CG LYS A 2 1.334 3.084 12.982 1.00 25.33 C ATOM 26 CD LYS A 2 -0.071 2.490 13.265 1.00 11.34 C ATOM 27 CE LYS A 2 -0.112 0.951 13.237 1.00 54.31 C ATOM 28 NZ LYS A 2 0.637 0.340 14.373 1.00 44.05 N ATOM 0 H LYS A 2 2.301 7.403 12.592 1.00 4.02 H new ATOM 0 HA LYS A 2 3.530 4.801 13.172 1.00 32.04 H new ATOM 0 HB2 LYS A 2 1.276 4.765 14.331 1.00 20.10 H new ATOM 0 HB3 LYS A 2 0.522 5.071 12.779 1.00 20.10 H new ATOM 0 HG2 LYS A 2 1.606 2.894 11.944 1.00 25.33 H new ATOM 0 HG3 LYS A 2 2.074 2.578 13.603 1.00 25.33 H new ATOM 0 HD2 LYS A 2 -0.411 2.836 14.241 1.00 11.34 H new ATOM 0 HD3 LYS A 2 -0.774 2.876 12.527 1.00 11.34 H new ATOM 0 HE2 LYS A 2 -1.149 0.618 13.268 1.00 54.31 H new ATOM 0 HE3 LYS A 2 0.308 0.596 12.296 1.00 54.31 H new ATOM 0 HZ1 LYS A 2 1.185 -0.475 14.030 1.00 44.05 H new ATOM 0 HZ2 LYS A 2 1.284 1.045 14.781 1.00 44.05 H new ATOM 0 HZ3 LYS A 2 -0.035 0.023 15.101 1.00 44.05 H new ATOM 42 N ILE A 3 3.669 4.595 10.674 1.00 13.42 N ATOM 43 CA ILE A 3 3.856 4.518 9.216 1.00 43.21 C ATOM 44 C ILE A 3 3.039 3.341 8.664 1.00 4.41 C ATOM 45 O ILE A 3 3.151 2.210 9.168 1.00 63.32 O ATOM 46 CB ILE A 3 5.378 4.326 8.841 1.00 21.54 C ATOM 47 CG1 ILE A 3 6.252 5.525 9.355 1.00 43.33 C ATOM 48 CG2 ILE A 3 5.561 4.115 7.317 1.00 1.54 C ATOM 49 CD1 ILE A 3 5.952 6.866 8.708 1.00 64.10 C ATOM 0 H ILE A 3 4.307 4.001 11.204 1.00 13.42 H new ATOM 0 HA ILE A 3 3.515 5.455 8.775 1.00 43.21 H new ATOM 0 HB ILE A 3 5.726 3.424 9.345 1.00 21.54 H new ATOM 0 HG12 ILE A 3 6.113 5.620 10.432 1.00 43.33 H new ATOM 0 HG13 ILE A 3 7.302 5.286 9.189 1.00 43.33 H new ATOM 0 HG21 ILE A 3 6.620 3.986 7.092 1.00 1.54 H new ATOM 0 HG22 ILE A 3 5.013 3.226 7.004 1.00 1.54 H new ATOM 0 HG23 ILE A 3 5.179 4.984 6.781 1.00 1.54 H new ATOM 0 HD11 ILE A 3 6.607 7.628 9.130 1.00 64.10 H new ATOM 0 HD12 ILE A 3 6.120 6.797 7.633 1.00 64.10 H new ATOM 0 HD13 ILE A 3 4.913 7.136 8.896 1.00 64.10 H new ATOM 61 N LEU A 4 2.203 3.622 7.649 1.00 65.13 N ATOM 62 CA LEU A 4 1.435 2.591 6.932 1.00 23.21 C ATOM 63 C LEU A 4 1.887 2.566 5.465 1.00 42.32 C ATOM 64 O LEU A 4 1.685 3.539 4.734 1.00 41.34 O ATOM 65 CB LEU A 4 -0.095 2.852 7.030 1.00 40.13 C ATOM 66 CG LEU A 4 -0.706 2.894 8.471 1.00 63.21 C ATOM 67 CD1 LEU A 4 -2.230 3.094 8.412 1.00 2.34 C ATOM 68 CD2 LEU A 4 -0.351 1.630 9.284 1.00 51.22 C ATOM 0 H LEU A 4 2.042 4.568 7.304 1.00 65.13 H new ATOM 0 HA LEU A 4 1.626 1.622 7.393 1.00 23.21 H new ATOM 0 HB2 LEU A 4 -0.311 3.801 6.540 1.00 40.13 H new ATOM 0 HB3 LEU A 4 -0.610 2.076 6.463 1.00 40.13 H new ATOM 0 HG LEU A 4 -0.264 3.747 8.986 1.00 63.21 H new ATOM 0 HD11 LEU A 4 -2.633 3.120 9.424 1.00 2.34 H new ATOM 0 HD12 LEU A 4 -2.454 4.034 7.908 1.00 2.34 H new ATOM 0 HD13 LEU A 4 -2.684 2.270 7.862 1.00 2.34 H new ATOM 0 HD21 LEU A 4 -0.794 1.700 10.277 1.00 51.22 H new ATOM 0 HD22 LEU A 4 -0.740 0.748 8.774 1.00 51.22 H new ATOM 0 HD23 LEU A 4 0.732 1.548 9.375 1.00 51.22 H new ATOM 80 N ILE A 5 2.537 1.466 5.056 1.00 51.44 N ATOM 81 CA ILE A 5 2.949 1.264 3.658 1.00 71.13 C ATOM 82 C ILE A 5 1.780 0.582 2.916 1.00 33.23 C ATOM 83 O ILE A 5 1.494 -0.589 3.155 1.00 40.43 O ATOM 84 CB ILE A 5 4.257 0.378 3.544 1.00 74.23 C ATOM 85 CG1 ILE A 5 5.400 0.897 4.487 1.00 2.44 C ATOM 86 CG2 ILE A 5 4.751 0.295 2.069 1.00 45.41 C ATOM 87 CD1 ILE A 5 5.963 2.266 4.151 1.00 42.34 C ATOM 0 H ILE A 5 2.790 0.698 5.678 1.00 51.44 H new ATOM 0 HA ILE A 5 3.186 2.231 3.213 1.00 71.13 H new ATOM 0 HB ILE A 5 3.994 -0.627 3.874 1.00 74.23 H new ATOM 0 HG12 ILE A 5 5.019 0.922 5.508 1.00 2.44 H new ATOM 0 HG13 ILE A 5 6.216 0.175 4.469 1.00 2.44 H new ATOM 0 HG21 ILE A 5 5.650 -0.319 2.020 1.00 45.41 H new ATOM 0 HG22 ILE A 5 3.973 -0.151 1.449 1.00 45.41 H new ATOM 0 HG23 ILE A 5 4.976 1.297 1.704 1.00 45.41 H new ATOM 0 HD11 ILE A 5 6.745 2.523 4.866 1.00 42.34 H new ATOM 0 HD12 ILE A 5 6.382 2.250 3.145 1.00 42.34 H new ATOM 0 HD13 ILE A 5 5.167 3.009 4.201 1.00 42.34 H new ATOM 99 N LEU A 6 1.083 1.325 2.053 1.00 31.35 N ATOM 100 CA LEU A 6 -0.066 0.804 1.287 1.00 62.41 C ATOM 101 C LEU A 6 0.465 0.335 -0.078 1.00 50.25 C ATOM 102 O LEU A 6 1.240 1.046 -0.703 1.00 53.14 O ATOM 103 CB LEU A 6 -1.154 1.919 1.114 1.00 20.42 C ATOM 104 CG LEU A 6 -2.660 1.461 1.065 1.00 44.32 C ATOM 105 CD1 LEU A 6 -2.946 0.358 0.019 1.00 60.32 C ATOM 106 CD2 LEU A 6 -3.139 1.049 2.467 1.00 40.14 C ATOM 0 H LEU A 6 1.294 2.304 1.861 1.00 31.35 H new ATOM 0 HA LEU A 6 -0.537 -0.028 1.812 1.00 62.41 H new ATOM 0 HB2 LEU A 6 -1.044 2.627 1.935 1.00 20.42 H new ATOM 0 HB3 LEU A 6 -0.937 2.462 0.194 1.00 20.42 H new ATOM 0 HG LEU A 6 -3.235 2.325 0.731 1.00 44.32 H new ATOM 0 HD11 LEU A 6 -4.004 0.096 0.046 1.00 60.32 H new ATOM 0 HD12 LEU A 6 -2.688 0.723 -0.975 1.00 60.32 H new ATOM 0 HD13 LEU A 6 -2.348 -0.524 0.248 1.00 60.32 H new ATOM 0 HD21 LEU A 6 -4.182 0.735 2.418 1.00 40.14 H new ATOM 0 HD22 LEU A 6 -2.528 0.223 2.832 1.00 40.14 H new ATOM 0 HD23 LEU A 6 -3.047 1.896 3.146 1.00 40.14 H new ATOM 118 N ILE A 7 0.075 -0.872 -0.517 1.00 75.23 N ATOM 119 CA ILE A 7 0.472 -1.426 -1.827 1.00 3.30 C ATOM 120 C ILE A 7 -0.759 -2.049 -2.525 1.00 2.01 C ATOM 121 O ILE A 7 -1.549 -2.748 -1.891 1.00 24.24 O ATOM 122 CB ILE A 7 1.626 -2.503 -1.677 1.00 0.35 C ATOM 123 CG1 ILE A 7 2.882 -1.875 -0.977 1.00 10.45 C ATOM 124 CG2 ILE A 7 2.010 -3.113 -3.053 1.00 14.54 C ATOM 125 CD1 ILE A 7 4.039 -2.823 -0.747 1.00 11.11 C ATOM 0 H ILE A 7 -0.525 -1.494 0.025 1.00 75.23 H new ATOM 0 HA ILE A 7 0.861 -0.611 -2.438 1.00 3.30 H new ATOM 0 HB ILE A 7 1.250 -3.310 -1.049 1.00 0.35 H new ATOM 0 HG12 ILE A 7 3.234 -1.039 -1.582 1.00 10.45 H new ATOM 0 HG13 ILE A 7 2.574 -1.465 -0.015 1.00 10.45 H new ATOM 0 HG21 ILE A 7 2.804 -3.848 -2.917 1.00 14.54 H new ATOM 0 HG22 ILE A 7 1.138 -3.598 -3.492 1.00 14.54 H new ATOM 0 HG23 ILE A 7 2.358 -2.322 -3.717 1.00 14.54 H new ATOM 0 HD11 ILE A 7 4.855 -2.290 -0.258 1.00 11.11 H new ATOM 0 HD12 ILE A 7 3.713 -3.648 -0.113 1.00 11.11 H new ATOM 0 HD13 ILE A 7 4.384 -3.215 -1.704 1.00 11.11 H new ATOM 137 N ASN A 8 -0.932 -1.756 -3.826 1.00 64.35 N ATOM 138 CA ASN A 8 -1.960 -2.382 -4.675 1.00 44.11 C ATOM 139 C ASN A 8 -1.274 -3.300 -5.676 1.00 53.34 C ATOM 140 O ASN A 8 -0.568 -2.833 -6.569 1.00 31.43 O ATOM 141 CB ASN A 8 -2.755 -1.288 -5.438 1.00 64.30 C ATOM 142 CG ASN A 8 -3.773 -1.782 -6.484 1.00 51.40 C ATOM 143 OD1 ASN A 8 -4.000 -1.108 -7.491 1.00 41.32 O ATOM 144 ND2 ASN A 8 -4.410 -2.927 -6.263 1.00 72.20 N ATOM 0 H ASN A 8 -0.358 -1.073 -4.321 1.00 64.35 H new ATOM 0 HA ASN A 8 -2.650 -2.953 -4.054 1.00 44.11 H new ATOM 0 HB2 ASN A 8 -3.286 -0.679 -4.706 1.00 64.30 H new ATOM 0 HB3 ASN A 8 -2.041 -0.634 -5.939 1.00 64.30 H new ATOM 0 HD21 ASN A 8 -5.102 -3.263 -6.933 1.00 72.20 H new ATOM 0 HD22 ASN A 8 -4.207 -3.470 -5.423 1.00 72.20 H new ATOM 151 N THR A 9 -1.458 -4.601 -5.496 1.00 73.33 N ATOM 152 CA THR A 9 -1.174 -5.603 -6.521 1.00 44.40 C ATOM 153 C THR A 9 -2.418 -6.489 -6.675 1.00 55.13 C ATOM 154 O THR A 9 -3.009 -6.910 -5.679 1.00 65.24 O ATOM 155 CB THR A 9 0.113 -6.444 -6.208 1.00 24.41 C ATOM 156 OG1 THR A 9 0.305 -7.448 -7.227 1.00 15.10 O ATOM 157 CG2 THR A 9 0.072 -7.110 -4.822 1.00 22.04 C ATOM 0 H THR A 9 -1.812 -4.997 -4.626 1.00 73.33 H new ATOM 0 HA THR A 9 -0.957 -5.100 -7.463 1.00 44.40 H new ATOM 0 HB THR A 9 0.952 -5.748 -6.203 1.00 24.41 H new ATOM 0 HG1 THR A 9 1.169 -7.306 -7.668 1.00 15.10 H new ATOM 0 HG21 THR A 9 0.989 -7.677 -4.664 1.00 22.04 H new ATOM 0 HG22 THR A 9 -0.018 -6.343 -4.052 1.00 22.04 H new ATOM 0 HG23 THR A 9 -0.784 -7.782 -4.766 1.00 22.04 H new ATOM 165 N ASN A 10 -2.817 -6.739 -7.925 1.00 21.34 N ATOM 166 CA ASN A 10 -3.976 -7.588 -8.271 1.00 31.54 C ATOM 167 C ASN A 10 -3.563 -9.082 -8.282 1.00 30.33 C ATOM 168 O ASN A 10 -4.402 -9.975 -8.425 1.00 71.33 O ATOM 169 CB ASN A 10 -4.523 -7.136 -9.659 1.00 60.35 C ATOM 170 CG ASN A 10 -5.885 -7.743 -10.023 1.00 35.11 C ATOM 171 OD1 ASN A 10 -6.933 -7.199 -9.670 1.00 0.52 O ATOM 172 ND2 ASN A 10 -5.879 -8.859 -10.742 1.00 32.22 N ATOM 0 H ASN A 10 -2.342 -6.355 -8.742 1.00 21.34 H new ATOM 0 HA ASN A 10 -4.763 -7.476 -7.525 1.00 31.54 H new ATOM 0 HB2 ASN A 10 -4.607 -6.049 -9.668 1.00 60.35 H new ATOM 0 HB3 ASN A 10 -3.800 -7.406 -10.428 1.00 60.35 H new ATOM 0 HD21 ASN A 10 -6.760 -9.292 -11.019 1.00 32.22 H new ATOM 0 HD22 ASN A 10 -4.993 -9.283 -11.018 1.00 32.22 H new ATOM 179 N ASN A 11 -2.253 -9.330 -8.096 1.00 54.21 N ATOM 180 CA ASN A 11 -1.643 -10.665 -8.184 1.00 32.31 C ATOM 181 C ASN A 11 -1.219 -11.160 -6.786 1.00 74.21 C ATOM 182 O ASN A 11 -0.484 -10.468 -6.069 1.00 1.11 O ATOM 183 CB ASN A 11 -0.429 -10.619 -9.153 1.00 64.02 C ATOM 184 CG ASN A 11 0.277 -11.966 -9.338 1.00 20.15 C ATOM 185 OD1 ASN A 11 -0.303 -13.032 -9.123 1.00 72.43 O ATOM 186 ND2 ASN A 11 1.524 -11.935 -9.775 1.00 64.52 N ATOM 0 H ASN A 11 -1.580 -8.595 -7.877 1.00 54.21 H new ATOM 0 HA ASN A 11 -2.376 -11.370 -8.576 1.00 32.31 H new ATOM 0 HB2 ASN A 11 -0.768 -10.262 -10.126 1.00 64.02 H new ATOM 0 HB3 ASN A 11 0.292 -9.892 -8.780 1.00 64.02 H new ATOM 0 HD21 ASN A 11 2.028 -12.806 -9.942 1.00 64.52 H new ATOM 0 HD22 ASN A 11 1.983 -11.040 -9.946 1.00 64.52 H new ATOM 193 N ASP A 12 -1.682 -12.380 -6.440 1.00 13.44 N ATOM 194 CA ASP A 12 -1.401 -13.044 -5.142 1.00 63.51 C ATOM 195 C ASP A 12 0.095 -13.343 -4.950 1.00 15.24 C ATOM 196 O ASP A 12 0.570 -13.409 -3.805 1.00 31.02 O ATOM 197 CB ASP A 12 -2.211 -14.357 -5.012 1.00 3.21 C ATOM 198 CG ASP A 12 -3.725 -14.118 -5.050 1.00 23.31 C ATOM 199 OD1 ASP A 12 -4.302 -14.042 -6.157 1.00 41.43 O ATOM 200 OD2 ASP A 12 -4.346 -13.991 -3.973 1.00 32.14 O ATOM 0 H ASP A 12 -2.268 -12.941 -7.058 1.00 13.44 H new ATOM 0 HA ASP A 12 -1.706 -12.346 -4.362 1.00 63.51 H new ATOM 0 HB2 ASP A 12 -1.933 -15.034 -5.820 1.00 3.21 H new ATOM 0 HB3 ASP A 12 -1.948 -14.852 -4.077 1.00 3.21 H new ATOM 205 N GLU A 13 0.820 -13.526 -6.080 1.00 42.23 N ATOM 206 CA GLU A 13 2.264 -13.818 -6.076 1.00 44.22 C ATOM 207 C GLU A 13 3.031 -12.645 -5.450 1.00 13.41 C ATOM 208 O GLU A 13 3.872 -12.849 -4.588 1.00 35.40 O ATOM 209 CB GLU A 13 2.786 -14.107 -7.506 1.00 11.41 C ATOM 210 CG GLU A 13 2.091 -15.301 -8.197 1.00 62.43 C ATOM 211 CD GLU A 13 2.657 -15.577 -9.597 1.00 31.32 C ATOM 212 OE1 GLU A 13 2.277 -14.860 -10.550 1.00 12.20 O ATOM 213 OE2 GLU A 13 3.510 -16.484 -9.739 1.00 41.52 O ATOM 0 H GLU A 13 0.416 -13.474 -7.015 1.00 42.23 H new ATOM 0 HA GLU A 13 2.430 -14.714 -5.478 1.00 44.22 H new ATOM 0 HB2 GLU A 13 2.650 -13.216 -8.119 1.00 11.41 H new ATOM 0 HB3 GLU A 13 3.858 -14.301 -7.459 1.00 11.41 H new ATOM 0 HG2 GLU A 13 2.206 -16.192 -7.579 1.00 62.43 H new ATOM 0 HG3 GLU A 13 1.022 -15.101 -8.273 1.00 62.43 H new ATOM 220 N LEU A 14 2.678 -11.409 -5.847 1.00 42.01 N ATOM 221 CA LEU A 14 3.352 -10.197 -5.340 1.00 33.12 C ATOM 222 C LEU A 14 2.972 -9.896 -3.890 1.00 65.23 C ATOM 223 O LEU A 14 3.779 -9.324 -3.175 1.00 33.32 O ATOM 224 CB LEU A 14 3.094 -8.963 -6.252 1.00 5.03 C ATOM 225 CG LEU A 14 4.080 -8.806 -7.444 1.00 71.11 C ATOM 226 CD1 LEU A 14 5.535 -8.615 -6.939 1.00 73.11 C ATOM 227 CD2 LEU A 14 3.958 -9.993 -8.428 1.00 53.41 C ATOM 0 H LEU A 14 1.931 -11.222 -6.516 1.00 42.01 H new ATOM 0 HA LEU A 14 4.422 -10.405 -5.363 1.00 33.12 H new ATOM 0 HB2 LEU A 14 2.080 -9.028 -6.646 1.00 5.03 H new ATOM 0 HB3 LEU A 14 3.142 -8.062 -5.640 1.00 5.03 H new ATOM 0 HG LEU A 14 3.809 -7.905 -7.995 1.00 71.11 H new ATOM 0 HD11 LEU A 14 6.205 -8.508 -7.792 1.00 73.11 H new ATOM 0 HD12 LEU A 14 5.590 -7.720 -6.319 1.00 73.11 H new ATOM 0 HD13 LEU A 14 5.833 -9.483 -6.351 1.00 73.11 H new ATOM 0 HD21 LEU A 14 4.659 -9.857 -9.251 1.00 53.41 H new ATOM 0 HD22 LEU A 14 4.187 -10.923 -7.907 1.00 53.41 H new ATOM 0 HD23 LEU A 14 2.942 -10.038 -8.820 1.00 53.41 H new ATOM 239 N ILE A 15 1.757 -10.292 -3.463 1.00 23.03 N ATOM 240 CA ILE A 15 1.332 -10.130 -2.058 1.00 61.45 C ATOM 241 C ILE A 15 2.304 -10.896 -1.139 1.00 43.43 C ATOM 242 O ILE A 15 2.932 -10.307 -0.251 1.00 55.44 O ATOM 243 CB ILE A 15 -0.140 -10.639 -1.817 1.00 42.11 C ATOM 244 CG1 ILE A 15 -1.133 -9.953 -2.798 1.00 53.10 C ATOM 245 CG2 ILE A 15 -0.581 -10.410 -0.346 1.00 30.52 C ATOM 246 CD1 ILE A 15 -2.567 -10.426 -2.667 1.00 50.23 C ATOM 0 H ILE A 15 1.057 -10.724 -4.066 1.00 23.03 H new ATOM 0 HA ILE A 15 1.350 -9.065 -1.826 1.00 61.45 H new ATOM 0 HB ILE A 15 -0.154 -11.712 -2.010 1.00 42.11 H new ATOM 0 HG12 ILE A 15 -1.102 -8.876 -2.634 1.00 53.10 H new ATOM 0 HG13 ILE A 15 -0.796 -10.130 -3.820 1.00 53.10 H new ATOM 0 HG21 ILE A 15 -1.601 -10.771 -0.211 1.00 30.52 H new ATOM 0 HG22 ILE A 15 0.087 -10.952 0.323 1.00 30.52 H new ATOM 0 HG23 ILE A 15 -0.540 -9.345 -0.115 1.00 30.52 H new ATOM 0 HD11 ILE A 15 -3.192 -9.897 -3.387 1.00 50.23 H new ATOM 0 HD12 ILE A 15 -2.616 -11.497 -2.862 1.00 50.23 H new ATOM 0 HD13 ILE A 15 -2.926 -10.224 -1.658 1.00 50.23 H new ATOM 258 N LYS A 16 2.481 -12.194 -1.444 1.00 41.04 N ATOM 259 CA LYS A 16 3.282 -13.110 -0.623 1.00 53.23 C ATOM 260 C LYS A 16 4.797 -12.831 -0.750 1.00 74.01 C ATOM 261 O LYS A 16 5.529 -13.024 0.217 1.00 52.11 O ATOM 262 CB LYS A 16 2.949 -14.581 -0.990 1.00 0.54 C ATOM 263 CG LYS A 16 3.329 -14.997 -2.427 1.00 63.54 C ATOM 264 CD LYS A 16 2.743 -16.362 -2.852 1.00 73.40 C ATOM 265 CE LYS A 16 3.241 -17.543 -2.007 1.00 75.13 C ATOM 266 NZ LYS A 16 2.613 -18.821 -2.442 1.00 42.33 N ATOM 0 H LYS A 16 2.071 -12.634 -2.268 1.00 41.04 H new ATOM 0 HA LYS A 16 3.020 -12.940 0.421 1.00 53.23 H new ATOM 0 HB2 LYS A 16 3.462 -15.240 -0.289 1.00 0.54 H new ATOM 0 HB3 LYS A 16 1.880 -14.741 -0.852 1.00 0.54 H new ATOM 0 HG2 LYS A 16 2.984 -14.231 -3.121 1.00 63.54 H new ATOM 0 HG3 LYS A 16 4.415 -15.036 -2.510 1.00 63.54 H new ATOM 0 HD2 LYS A 16 1.656 -16.315 -2.788 1.00 73.40 H new ATOM 0 HD3 LYS A 16 2.994 -16.544 -3.897 1.00 73.40 H new ATOM 0 HE2 LYS A 16 4.325 -17.621 -2.090 1.00 75.13 H new ATOM 0 HE3 LYS A 16 3.014 -17.363 -0.956 1.00 75.13 H new ATOM 0 HZ1 LYS A 16 2.969 -19.601 -1.853 1.00 42.33 H new ATOM 0 HZ2 LYS A 16 1.580 -18.753 -2.339 1.00 42.33 H new ATOM 0 HZ3 LYS A 16 2.851 -19.003 -3.438 1.00 42.33 H new ATOM 280 N LYS A 17 5.253 -12.363 -1.940 1.00 61.32 N ATOM 281 CA LYS A 17 6.677 -12.029 -2.181 1.00 73.02 C ATOM 282 C LYS A 17 7.091 -10.774 -1.398 1.00 12.33 C ATOM 283 O LYS A 17 8.171 -10.746 -0.803 1.00 71.14 O ATOM 284 CB LYS A 17 6.960 -11.853 -3.701 1.00 43.24 C ATOM 285 CG LYS A 17 6.938 -13.177 -4.505 1.00 43.45 C ATOM 286 CD LYS A 17 7.035 -12.952 -6.036 1.00 62.15 C ATOM 287 CE LYS A 17 8.346 -12.272 -6.469 1.00 3.13 C ATOM 288 NZ LYS A 17 8.427 -12.134 -7.945 1.00 4.22 N ATOM 0 H LYS A 17 4.651 -12.209 -2.749 1.00 61.32 H new ATOM 0 HA LYS A 17 7.279 -12.863 -1.821 1.00 73.02 H new ATOM 0 HB2 LYS A 17 6.219 -11.173 -4.121 1.00 43.24 H new ATOM 0 HB3 LYS A 17 7.934 -11.380 -3.826 1.00 43.24 H new ATOM 0 HG2 LYS A 17 7.767 -13.807 -4.182 1.00 43.45 H new ATOM 0 HG3 LYS A 17 6.019 -13.718 -4.279 1.00 43.45 H new ATOM 0 HD2 LYS A 17 6.947 -13.912 -6.544 1.00 62.15 H new ATOM 0 HD3 LYS A 17 6.192 -12.341 -6.361 1.00 62.15 H new ATOM 0 HE2 LYS A 17 8.416 -11.288 -6.006 1.00 3.13 H new ATOM 0 HE3 LYS A 17 9.195 -12.854 -6.110 1.00 3.13 H new ATOM 0 HZ1 LYS A 17 9.362 -12.450 -8.272 1.00 4.22 H new ATOM 0 HZ2 LYS A 17 7.690 -12.717 -8.389 1.00 4.22 H new ATOM 0 HZ3 LYS A 17 8.286 -11.138 -8.209 1.00 4.22 H new ATOM 302 N ILE A 18 6.211 -9.749 -1.403 1.00 33.31 N ATOM 303 CA ILE A 18 6.405 -8.512 -0.620 1.00 3.21 C ATOM 304 C ILE A 18 6.399 -8.837 0.888 1.00 43.15 C ATOM 305 O ILE A 18 7.169 -8.245 1.638 1.00 32.33 O ATOM 306 CB ILE A 18 5.322 -7.414 -1.000 1.00 11.32 C ATOM 307 CG1 ILE A 18 5.562 -6.913 -2.468 1.00 35.14 C ATOM 308 CG2 ILE A 18 5.295 -6.228 -0.001 1.00 53.14 C ATOM 309 CD1 ILE A 18 4.499 -5.972 -3.021 1.00 43.13 C ATOM 0 H ILE A 18 5.349 -9.757 -1.949 1.00 33.31 H new ATOM 0 HA ILE A 18 7.378 -8.087 -0.868 1.00 3.21 H new ATOM 0 HB ILE A 18 4.341 -7.885 -0.938 1.00 11.32 H new ATOM 0 HG12 ILE A 18 6.527 -6.407 -2.508 1.00 35.14 H new ATOM 0 HG13 ILE A 18 5.630 -7.781 -3.123 1.00 35.14 H new ATOM 0 HG21 ILE A 18 4.537 -5.509 -0.310 1.00 53.14 H new ATOM 0 HG22 ILE A 18 5.059 -6.598 0.997 1.00 53.14 H new ATOM 0 HG23 ILE A 18 6.271 -5.742 0.014 1.00 53.14 H new ATOM 0 HD11 ILE A 18 4.761 -5.686 -4.040 1.00 43.13 H new ATOM 0 HD12 ILE A 18 3.532 -6.476 -3.022 1.00 43.13 H new ATOM 0 HD13 ILE A 18 4.443 -5.080 -2.397 1.00 43.13 H new ATOM 321 N LYS A 19 5.571 -9.833 1.304 1.00 61.10 N ATOM 322 CA LYS A 19 5.549 -10.314 2.705 1.00 32.44 C ATOM 323 C LYS A 19 6.936 -10.823 3.143 1.00 60.42 C ATOM 324 O LYS A 19 7.351 -10.560 4.269 1.00 42.10 O ATOM 325 CB LYS A 19 4.490 -11.434 2.931 1.00 52.20 C ATOM 326 CG LYS A 19 3.035 -10.958 2.836 1.00 12.11 C ATOM 327 CD LYS A 19 2.010 -12.070 3.153 1.00 60.13 C ATOM 328 CE LYS A 19 0.568 -11.547 3.103 1.00 44.14 C ATOM 329 NZ LYS A 19 -0.423 -12.586 3.471 1.00 3.21 N ATOM 0 H LYS A 19 4.914 -10.314 0.689 1.00 61.10 H new ATOM 0 HA LYS A 19 5.271 -9.456 3.317 1.00 32.44 H new ATOM 0 HB2 LYS A 19 4.650 -12.223 2.196 1.00 52.20 H new ATOM 0 HB3 LYS A 19 4.651 -11.877 3.914 1.00 52.20 H new ATOM 0 HG2 LYS A 19 2.885 -10.127 3.526 1.00 12.11 H new ATOM 0 HG3 LYS A 19 2.849 -10.576 1.832 1.00 12.11 H new ATOM 0 HD2 LYS A 19 2.126 -12.885 2.439 1.00 60.13 H new ATOM 0 HD3 LYS A 19 2.214 -12.481 4.142 1.00 60.13 H new ATOM 0 HE2 LYS A 19 0.469 -10.698 3.780 1.00 44.14 H new ATOM 0 HE3 LYS A 19 0.352 -11.182 2.099 1.00 44.14 H new ATOM 0 HZ1 LYS A 19 -1.377 -12.171 3.472 1.00 3.21 H new ATOM 0 HZ2 LYS A 19 -0.384 -13.363 2.781 1.00 3.21 H new ATOM 0 HZ3 LYS A 19 -0.205 -12.954 4.419 1.00 3.21 H new ATOM 343 N LYS A 20 7.643 -11.536 2.236 1.00 42.05 N ATOM 344 CA LYS A 20 8.975 -12.110 2.529 1.00 65.53 C ATOM 345 C LYS A 20 10.045 -10.994 2.583 1.00 33.32 C ATOM 346 O LYS A 20 10.900 -10.993 3.468 1.00 15.44 O ATOM 347 CB LYS A 20 9.370 -13.191 1.478 1.00 11.34 C ATOM 348 CG LYS A 20 8.291 -14.265 1.188 1.00 73.55 C ATOM 349 CD LYS A 20 7.737 -15.019 2.435 1.00 12.12 C ATOM 350 CE LYS A 20 8.717 -16.041 3.050 1.00 24.00 C ATOM 351 NZ LYS A 20 9.823 -15.409 3.817 1.00 34.41 N ATOM 0 H LYS A 20 7.310 -11.728 1.291 1.00 42.05 H new ATOM 0 HA LYS A 20 8.923 -12.594 3.504 1.00 65.53 H new ATOM 0 HB2 LYS A 20 9.619 -12.690 0.543 1.00 11.34 H new ATOM 0 HB3 LYS A 20 10.275 -13.693 1.821 1.00 11.34 H new ATOM 0 HG2 LYS A 20 7.457 -13.786 0.675 1.00 73.55 H new ATOM 0 HG3 LYS A 20 8.710 -14.998 0.499 1.00 73.55 H new ATOM 0 HD2 LYS A 20 7.469 -14.287 3.197 1.00 12.12 H new ATOM 0 HD3 LYS A 20 6.820 -15.537 2.153 1.00 12.12 H new ATOM 0 HE2 LYS A 20 8.165 -16.712 3.708 1.00 24.00 H new ATOM 0 HE3 LYS A 20 9.140 -16.653 2.253 1.00 24.00 H new ATOM 0 HZ1 LYS A 20 10.089 -16.023 4.613 1.00 34.41 H new ATOM 0 HZ2 LYS A 20 10.645 -15.275 3.194 1.00 34.41 H new ATOM 0 HZ3 LYS A 20 9.510 -14.486 4.181 1.00 34.41 H new ATOM 365 N GLU A 21 9.989 -10.081 1.594 1.00 73.54 N ATOM 366 CA GLU A 21 10.839 -8.861 1.528 1.00 21.41 C ATOM 367 C GLU A 21 10.827 -8.065 2.849 1.00 24.20 C ATOM 368 O GLU A 21 11.875 -7.786 3.443 1.00 71.11 O ATOM 369 CB GLU A 21 10.355 -7.950 0.365 1.00 4.40 C ATOM 370 CG GLU A 21 10.578 -8.531 -1.044 1.00 30.21 C ATOM 371 CD GLU A 21 12.063 -8.598 -1.449 1.00 50.41 C ATOM 372 OE1 GLU A 21 12.600 -7.585 -1.935 1.00 3.53 O ATOM 373 OE2 GLU A 21 12.708 -9.655 -1.278 1.00 52.23 O ATOM 0 H GLU A 21 9.347 -10.165 0.806 1.00 73.54 H new ATOM 0 HA GLU A 21 11.864 -9.186 1.352 1.00 21.41 H new ATOM 0 HB2 GLU A 21 9.292 -7.750 0.497 1.00 4.40 H new ATOM 0 HB3 GLU A 21 10.870 -6.992 0.434 1.00 4.40 H new ATOM 0 HG2 GLU A 21 10.151 -9.533 -1.088 1.00 30.21 H new ATOM 0 HG3 GLU A 21 10.038 -7.923 -1.770 1.00 30.21 H new ATOM 380 N VAL A 22 9.621 -7.741 3.312 1.00 73.33 N ATOM 381 CA VAL A 22 9.416 -6.832 4.452 1.00 5.31 C ATOM 382 C VAL A 22 9.510 -7.578 5.798 1.00 43.42 C ATOM 383 O VAL A 22 9.629 -6.946 6.844 1.00 13.10 O ATOM 384 CB VAL A 22 8.044 -6.096 4.327 1.00 63.31 C ATOM 385 CG1 VAL A 22 7.906 -5.434 2.939 1.00 23.41 C ATOM 386 CG2 VAL A 22 6.862 -7.041 4.611 1.00 63.13 C ATOM 0 H VAL A 22 8.754 -8.099 2.911 1.00 73.33 H new ATOM 0 HA VAL A 22 10.214 -6.090 4.430 1.00 5.31 H new ATOM 0 HB VAL A 22 8.019 -5.313 5.084 1.00 63.31 H new ATOM 0 HG11 VAL A 22 6.944 -4.927 2.872 1.00 23.41 H new ATOM 0 HG12 VAL A 22 8.709 -4.710 2.800 1.00 23.41 H new ATOM 0 HG13 VAL A 22 7.968 -6.198 2.164 1.00 23.41 H new ATOM 0 HG21 VAL A 22 5.926 -6.492 4.514 1.00 63.13 H new ATOM 0 HG22 VAL A 22 6.875 -7.865 3.897 1.00 63.13 H new ATOM 0 HG23 VAL A 22 6.947 -7.437 5.623 1.00 63.13 H new ATOM 396 N GLU A 23 9.433 -8.922 5.734 1.00 13.31 N ATOM 397 CA GLU A 23 9.654 -9.831 6.881 1.00 22.22 C ATOM 398 C GLU A 23 11.044 -9.582 7.497 1.00 14.11 C ATOM 399 O GLU A 23 11.197 -9.552 8.724 1.00 32.00 O ATOM 400 CB GLU A 23 9.535 -11.285 6.371 1.00 14.23 C ATOM 401 CG GLU A 23 9.805 -12.401 7.397 1.00 41.42 C ATOM 402 CD GLU A 23 9.832 -13.786 6.729 1.00 44.24 C ATOM 403 OE1 GLU A 23 10.873 -14.138 6.128 1.00 0.24 O ATOM 404 OE2 GLU A 23 8.805 -14.502 6.742 1.00 22.20 O ATOM 0 H GLU A 23 9.212 -9.417 4.870 1.00 13.31 H new ATOM 0 HA GLU A 23 8.910 -9.649 7.657 1.00 22.22 H new ATOM 0 HB2 GLU A 23 8.530 -11.425 5.972 1.00 14.23 H new ATOM 0 HB3 GLU A 23 10.228 -11.412 5.540 1.00 14.23 H new ATOM 0 HG2 GLU A 23 10.757 -12.217 7.894 1.00 41.42 H new ATOM 0 HG3 GLU A 23 9.034 -12.382 8.168 1.00 41.42 H new ATOM 411 N ASN A 24 12.033 -9.369 6.608 1.00 51.32 N ATOM 412 CA ASN A 24 13.421 -9.067 6.991 1.00 45.53 C ATOM 413 C ASN A 24 13.513 -7.678 7.666 1.00 24.32 C ATOM 414 O ASN A 24 14.316 -7.475 8.579 1.00 24.21 O ATOM 415 CB ASN A 24 14.361 -9.109 5.753 1.00 5.12 C ATOM 416 CG ASN A 24 14.271 -10.418 4.964 1.00 60.25 C ATOM 417 OD1 ASN A 24 14.881 -11.420 5.330 1.00 4.54 O ATOM 418 ND2 ASN A 24 13.546 -10.402 3.854 1.00 2.42 N ATOM 0 H ASN A 24 11.888 -9.402 5.599 1.00 51.32 H new ATOM 0 HA ASN A 24 13.741 -9.829 7.701 1.00 45.53 H new ATOM 0 HB2 ASN A 24 14.116 -8.278 5.092 1.00 5.12 H new ATOM 0 HB3 ASN A 24 15.390 -8.962 6.082 1.00 5.12 H new ATOM 0 HD21 ASN A 24 13.482 -11.239 3.275 1.00 2.42 H new ATOM 0 HD22 ASN A 24 13.052 -9.553 3.580 1.00 2.42 H new ATOM 425 N GLN A 25 12.681 -6.725 7.188 1.00 4.24 N ATOM 426 CA GLN A 25 12.674 -5.324 7.681 1.00 50.12 C ATOM 427 C GLN A 25 11.636 -5.112 8.816 1.00 12.24 C ATOM 428 O GLN A 25 11.529 -4.005 9.350 1.00 74.33 O ATOM 429 CB GLN A 25 12.390 -4.346 6.502 1.00 75.01 C ATOM 430 CG GLN A 25 13.319 -4.492 5.270 1.00 1.35 C ATOM 431 CD GLN A 25 14.815 -4.388 5.582 1.00 53.22 C ATOM 432 OE1 GLN A 25 15.387 -3.299 5.628 1.00 72.34 O ATOM 433 NE2 GLN A 25 15.473 -5.523 5.726 1.00 43.45 N ATOM 0 H GLN A 25 11.997 -6.902 6.452 1.00 4.24 H new ATOM 0 HA GLN A 25 13.659 -5.116 8.098 1.00 50.12 H new ATOM 0 HB2 GLN A 25 11.360 -4.488 6.176 1.00 75.01 H new ATOM 0 HB3 GLN A 25 12.468 -3.325 6.874 1.00 75.01 H new ATOM 0 HG2 GLN A 25 13.126 -5.456 4.798 1.00 1.35 H new ATOM 0 HG3 GLN A 25 13.059 -3.723 4.542 1.00 1.35 H new ATOM 0 HE21 GLN A 25 14.973 -6.411 5.683 1.00 43.45 H new ATOM 0 HE22 GLN A 25 16.481 -5.512 5.880 1.00 43.45 H new ATOM 442 N GLY A 26 10.899 -6.185 9.181 1.00 44.32 N ATOM 443 CA GLY A 26 9.899 -6.149 10.258 1.00 24.14 C ATOM 444 C GLY A 26 8.686 -5.241 9.994 1.00 5.12 C ATOM 445 O GLY A 26 8.370 -4.379 10.816 1.00 62.21 O ATOM 0 H GLY A 26 10.985 -7.098 8.734 1.00 44.32 H new ATOM 0 HA2 GLY A 26 9.542 -7.164 10.435 1.00 24.14 H new ATOM 0 HA3 GLY A 26 10.387 -5.819 11.175 1.00 24.14 H new ATOM 449 N TYR A 27 8.021 -5.416 8.839 1.00 63.34 N ATOM 450 CA TYR A 27 6.725 -4.749 8.525 1.00 61.34 C ATOM 451 C TYR A 27 5.626 -5.823 8.428 1.00 61.44 C ATOM 452 O TYR A 27 5.712 -6.735 7.597 1.00 25.24 O ATOM 453 CB TYR A 27 6.806 -3.915 7.203 1.00 21.52 C ATOM 454 CG TYR A 27 7.641 -2.613 7.291 1.00 35.13 C ATOM 455 CD1 TYR A 27 9.007 -2.648 7.582 1.00 2.31 C ATOM 456 CD2 TYR A 27 7.058 -1.354 7.088 1.00 64.20 C ATOM 457 CE1 TYR A 27 9.756 -1.488 7.670 1.00 42.23 C ATOM 458 CE2 TYR A 27 7.809 -0.190 7.176 1.00 22.24 C ATOM 459 CZ TYR A 27 9.154 -0.265 7.469 1.00 14.54 C ATOM 460 OH TYR A 27 9.902 0.891 7.563 1.00 53.24 O ATOM 0 H TYR A 27 8.358 -6.022 8.091 1.00 63.34 H new ATOM 0 HA TYR A 27 6.487 -4.047 9.324 1.00 61.34 H new ATOM 0 HB2 TYR A 27 7.228 -4.546 6.421 1.00 21.52 H new ATOM 0 HB3 TYR A 27 5.793 -3.657 6.893 1.00 21.52 H new ATOM 0 HD1 TYR A 27 9.489 -3.601 7.742 1.00 2.31 H new ATOM 0 HD2 TYR A 27 6.005 -1.289 6.859 1.00 64.20 H new ATOM 0 HE1 TYR A 27 10.811 -1.541 7.896 1.00 42.23 H new ATOM 0 HE2 TYR A 27 7.342 0.770 7.016 1.00 22.24 H new ATOM 0 HH TYR A 27 9.328 1.667 7.393 1.00 53.24 H new ATOM 470 N GLN A 28 4.604 -5.718 9.298 1.00 62.12 N ATOM 471 CA GLN A 28 3.517 -6.710 9.395 1.00 40.52 C ATOM 472 C GLN A 28 2.483 -6.458 8.287 1.00 74.42 C ATOM 473 O GLN A 28 1.714 -5.491 8.359 1.00 41.02 O ATOM 474 CB GLN A 28 2.825 -6.661 10.791 1.00 54.04 C ATOM 475 CG GLN A 28 3.686 -7.127 11.997 1.00 20.31 C ATOM 476 CD GLN A 28 4.916 -6.248 12.269 1.00 4.43 C ATOM 477 OE1 GLN A 28 4.714 -5.158 12.981 1.00 71.32 O flip ATOM 478 NE2 GLN A 28 6.028 -6.535 11.815 1.00 54.22 N flip ATOM 0 H GLN A 28 4.509 -4.943 9.954 1.00 62.12 H new ATOM 0 HA GLN A 28 3.951 -7.702 9.271 1.00 40.52 H new ATOM 0 HB2 GLN A 28 2.500 -5.637 10.977 1.00 54.04 H new ATOM 0 HB3 GLN A 28 1.928 -7.279 10.751 1.00 54.04 H new ATOM 0 HG2 GLN A 28 3.061 -7.145 12.890 1.00 20.31 H new ATOM 0 HG3 GLN A 28 4.017 -8.150 11.819 1.00 20.31 H new ATOM 0 HE21 GLN A 28 6.151 -7.387 11.267 1.00 54.22 H new ATOM 0 HE22 GLN A 28 6.823 -5.920 11.988 1.00 54.22 H new ATOM 487 N VAL A 29 2.487 -7.324 7.256 1.00 13.13 N ATOM 488 CA VAL A 29 1.558 -7.211 6.115 1.00 2.01 C ATOM 489 C VAL A 29 0.175 -7.784 6.475 1.00 43.13 C ATOM 490 O VAL A 29 0.069 -8.817 7.138 1.00 62.11 O ATOM 491 CB VAL A 29 2.086 -7.931 4.819 1.00 33.53 C ATOM 492 CG1 VAL A 29 1.105 -7.774 3.620 1.00 31.13 C ATOM 493 CG2 VAL A 29 3.476 -7.412 4.433 1.00 20.03 C ATOM 0 H VAL A 29 3.128 -8.115 7.190 1.00 13.13 H new ATOM 0 HA VAL A 29 1.479 -6.145 5.899 1.00 2.01 H new ATOM 0 HB VAL A 29 2.156 -8.993 5.054 1.00 33.53 H new ATOM 0 HG11 VAL A 29 1.511 -8.287 2.748 1.00 31.13 H new ATOM 0 HG12 VAL A 29 0.140 -8.209 3.880 1.00 31.13 H new ATOM 0 HG13 VAL A 29 0.976 -6.716 3.391 1.00 31.13 H new ATOM 0 HG21 VAL A 29 3.819 -7.925 3.534 1.00 20.03 H new ATOM 0 HG22 VAL A 29 3.424 -6.340 4.242 1.00 20.03 H new ATOM 0 HG23 VAL A 29 4.174 -7.602 5.248 1.00 20.03 H new ATOM 503 N ARG A 30 -0.859 -7.076 6.019 1.00 4.24 N ATOM 504 CA ARG A 30 -2.261 -7.505 6.034 1.00 10.24 C ATOM 505 C ARG A 30 -2.758 -7.391 4.585 1.00 10.12 C ATOM 506 O ARG A 30 -2.305 -6.507 3.865 1.00 32.13 O ATOM 507 CB ARG A 30 -3.091 -6.586 6.976 1.00 33.32 C ATOM 508 CG ARG A 30 -2.599 -6.566 8.445 1.00 15.21 C ATOM 509 CD ARG A 30 -2.758 -7.928 9.139 1.00 34.23 C ATOM 510 NE ARG A 30 -4.166 -8.362 9.155 1.00 74.23 N ATOM 511 CZ ARG A 30 -4.607 -9.620 9.255 1.00 63.02 C ATOM 512 NH1 ARG A 30 -3.760 -10.636 9.371 1.00 11.31 N ATOM 513 NH2 ARG A 30 -5.908 -9.858 9.232 1.00 3.03 N ATOM 0 H ARG A 30 -0.739 -6.149 5.612 1.00 4.24 H new ATOM 0 HA ARG A 30 -2.367 -8.525 6.405 1.00 10.24 H new ATOM 0 HB2 ARG A 30 -3.069 -5.569 6.584 1.00 33.32 H new ATOM 0 HB3 ARG A 30 -4.131 -6.912 6.958 1.00 33.32 H new ATOM 0 HG2 ARG A 30 -1.550 -6.270 8.469 1.00 15.21 H new ATOM 0 HG3 ARG A 30 -3.156 -5.812 9.001 1.00 15.21 H new ATOM 0 HD2 ARG A 30 -2.152 -8.673 8.624 1.00 34.23 H new ATOM 0 HD3 ARG A 30 -2.384 -7.863 10.161 1.00 34.23 H new ATOM 0 HE ARG A 30 -4.874 -7.631 9.083 1.00 74.23 H new ATOM 0 HH11 ARG A 30 -2.755 -10.463 9.385 1.00 11.31 H new ATOM 0 HH12 ARG A 30 -4.114 -11.589 9.446 1.00 11.31 H new ATOM 0 HH21 ARG A 30 -6.566 -9.085 9.138 1.00 3.03 H new ATOM 0 HH22 ARG A 30 -6.253 -10.815 9.308 1.00 3.03 H new ATOM 527 N ASP A 31 -3.644 -8.286 4.152 1.00 63.22 N ATOM 528 CA ASP A 31 -4.182 -8.276 2.762 1.00 70.12 C ATOM 529 C ASP A 31 -5.713 -8.249 2.798 1.00 53.40 C ATOM 530 O ASP A 31 -6.331 -8.907 3.635 1.00 3.41 O ATOM 531 CB ASP A 31 -3.645 -9.485 1.937 1.00 74.24 C ATOM 532 CG ASP A 31 -3.889 -10.851 2.602 1.00 32.33 C ATOM 533 OD1 ASP A 31 -3.042 -11.290 3.408 1.00 34.23 O ATOM 534 OD2 ASP A 31 -4.932 -11.480 2.345 1.00 65.51 O ATOM 0 H ASP A 31 -4.016 -9.036 4.734 1.00 63.22 H new ATOM 0 HA ASP A 31 -3.835 -7.374 2.258 1.00 70.12 H new ATOM 0 HB2 ASP A 31 -4.117 -9.481 0.955 1.00 74.24 H new ATOM 0 HB3 ASP A 31 -2.575 -9.356 1.776 1.00 74.24 H new ATOM 539 N VAL A 32 -6.310 -7.460 1.884 1.00 42.43 N ATOM 540 CA VAL A 32 -7.758 -7.183 1.844 1.00 63.52 C ATOM 541 C VAL A 32 -8.298 -7.382 0.412 1.00 62.23 C ATOM 542 O VAL A 32 -7.778 -6.797 -0.547 1.00 72.15 O ATOM 543 CB VAL A 32 -8.072 -5.710 2.334 1.00 33.35 C ATOM 544 CG1 VAL A 32 -9.571 -5.352 2.171 1.00 14.41 C ATOM 545 CG2 VAL A 32 -7.609 -5.491 3.801 1.00 21.02 C ATOM 0 H VAL A 32 -5.792 -6.990 1.142 1.00 42.43 H new ATOM 0 HA VAL A 32 -8.252 -7.882 2.518 1.00 63.52 H new ATOM 0 HB VAL A 32 -7.503 -5.036 1.694 1.00 33.35 H new ATOM 0 HG11 VAL A 32 -9.742 -4.333 2.519 1.00 14.41 H new ATOM 0 HG12 VAL A 32 -9.851 -5.428 1.120 1.00 14.41 H new ATOM 0 HG13 VAL A 32 -10.176 -6.042 2.759 1.00 14.41 H new ATOM 0 HG21 VAL A 32 -7.839 -4.470 4.107 1.00 21.02 H new ATOM 0 HG22 VAL A 32 -8.129 -6.191 4.455 1.00 21.02 H new ATOM 0 HG23 VAL A 32 -6.534 -5.658 3.872 1.00 21.02 H new ATOM 555 N ASN A 33 -9.330 -8.233 0.290 1.00 4.54 N ATOM 556 CA ASN A 33 -10.072 -8.477 -0.972 1.00 52.45 C ATOM 557 C ASN A 33 -11.592 -8.365 -0.756 1.00 22.42 C ATOM 558 O ASN A 33 -12.373 -8.693 -1.657 1.00 32.44 O ATOM 559 CB ASN A 33 -9.685 -9.877 -1.560 1.00 72.35 C ATOM 560 CG ASN A 33 -8.430 -9.834 -2.433 1.00 21.02 C ATOM 561 OD1 ASN A 33 -8.509 -9.815 -3.663 1.00 13.24 O ATOM 562 ND2 ASN A 33 -7.273 -9.759 -1.804 1.00 73.05 N ATOM 0 H ASN A 33 -9.683 -8.782 1.074 1.00 4.54 H new ATOM 0 HA ASN A 33 -9.790 -7.709 -1.692 1.00 52.45 H new ATOM 0 HB2 ASN A 33 -9.526 -10.578 -0.740 1.00 72.35 H new ATOM 0 HB3 ASN A 33 -10.518 -10.260 -2.150 1.00 72.35 H new ATOM 0 HD21 ASN A 33 -6.407 -9.682 -2.337 1.00 73.05 H new ATOM 0 HD22 ASN A 33 -7.245 -9.778 -0.785 1.00 73.05 H new ATOM 569 N ASP A 34 -12.014 -7.873 0.427 1.00 44.24 N ATOM 570 CA ASP A 34 -13.439 -7.642 0.734 1.00 61.34 C ATOM 571 C ASP A 34 -13.582 -6.454 1.701 1.00 5.24 C ATOM 572 O ASP A 34 -12.712 -6.220 2.556 1.00 74.00 O ATOM 573 CB ASP A 34 -14.089 -8.926 1.328 1.00 13.40 C ATOM 574 CG ASP A 34 -15.622 -8.833 1.455 1.00 44.20 C ATOM 575 OD1 ASP A 34 -16.330 -9.091 0.458 1.00 50.22 O ATOM 576 OD2 ASP A 34 -16.126 -8.503 2.545 1.00 20.02 O ATOM 0 H ASP A 34 -11.383 -7.627 1.189 1.00 44.24 H new ATOM 0 HA ASP A 34 -13.964 -7.401 -0.191 1.00 61.34 H new ATOM 0 HB2 ASP A 34 -13.835 -9.778 0.697 1.00 13.40 H new ATOM 0 HB3 ASP A 34 -13.661 -9.119 2.312 1.00 13.40 H new ATOM 581 N SER A 35 -14.693 -5.720 1.545 1.00 75.31 N ATOM 582 CA SER A 35 -15.022 -4.518 2.326 1.00 75.21 C ATOM 583 C SER A 35 -15.116 -4.790 3.841 1.00 73.53 C ATOM 584 O SER A 35 -14.772 -3.921 4.644 1.00 73.24 O ATOM 585 CB SER A 35 -16.343 -3.919 1.780 1.00 63.32 C ATOM 586 OG SER A 35 -17.346 -4.915 1.616 1.00 54.55 O ATOM 0 H SER A 35 -15.407 -5.952 0.854 1.00 75.31 H new ATOM 0 HA SER A 35 -14.209 -3.802 2.209 1.00 75.21 H new ATOM 0 HB2 SER A 35 -16.703 -3.149 2.463 1.00 63.32 H new ATOM 0 HB3 SER A 35 -16.154 -3.433 0.823 1.00 63.32 H new ATOM 0 HG SER A 35 -18.165 -4.501 1.272 1.00 54.55 H new ATOM 592 N ASP A 36 -15.573 -6.005 4.214 1.00 52.44 N ATOM 593 CA ASP A 36 -15.674 -6.432 5.623 1.00 24.31 C ATOM 594 C ASP A 36 -14.268 -6.558 6.243 1.00 34.43 C ATOM 595 O ASP A 36 -14.045 -6.086 7.362 1.00 12.14 O ATOM 596 CB ASP A 36 -16.458 -7.771 5.749 1.00 52.32 C ATOM 597 CG ASP A 36 -16.719 -8.182 7.210 1.00 20.10 C ATOM 598 OD1 ASP A 36 -17.615 -7.582 7.847 1.00 24.21 O ATOM 599 OD2 ASP A 36 -16.018 -9.069 7.740 1.00 61.03 O ATOM 0 H ASP A 36 -15.881 -6.714 3.548 1.00 52.44 H new ATOM 0 HA ASP A 36 -16.229 -5.672 6.172 1.00 24.31 H new ATOM 0 HB2 ASP A 36 -17.411 -7.678 5.228 1.00 52.32 H new ATOM 0 HB3 ASP A 36 -15.898 -8.562 5.250 1.00 52.32 H new ATOM 604 N GLU A 37 -13.320 -7.155 5.467 1.00 43.22 N ATOM 605 CA GLU A 37 -11.897 -7.300 5.875 1.00 33.30 C ATOM 606 C GLU A 37 -11.278 -5.916 6.132 1.00 23.23 C ATOM 607 O GLU A 37 -10.557 -5.726 7.103 1.00 44.04 O ATOM 608 CB GLU A 37 -11.068 -8.033 4.783 1.00 51.53 C ATOM 609 CG GLU A 37 -11.529 -9.463 4.460 1.00 31.41 C ATOM 610 CD GLU A 37 -10.653 -10.118 3.375 1.00 2.41 C ATOM 611 OE1 GLU A 37 -9.578 -10.660 3.707 1.00 55.33 O ATOM 612 OE2 GLU A 37 -11.024 -10.076 2.186 1.00 42.31 O ATOM 0 H GLU A 37 -13.521 -7.546 4.547 1.00 43.22 H new ATOM 0 HA GLU A 37 -11.873 -7.894 6.789 1.00 33.30 H new ATOM 0 HB2 GLU A 37 -11.101 -7.442 3.867 1.00 51.53 H new ATOM 0 HB3 GLU A 37 -10.027 -8.068 5.103 1.00 51.53 H new ATOM 0 HG2 GLU A 37 -11.497 -10.068 5.366 1.00 31.41 H new ATOM 0 HG3 GLU A 37 -12.566 -9.443 4.126 1.00 31.41 H new ATOM 619 N LEU A 38 -11.611 -4.966 5.240 1.00 22.00 N ATOM 620 CA LEU A 38 -11.161 -3.561 5.310 1.00 1.34 C ATOM 621 C LEU A 38 -11.579 -2.887 6.632 1.00 32.42 C ATOM 622 O LEU A 38 -10.746 -2.273 7.309 1.00 50.25 O ATOM 623 CB LEU A 38 -11.725 -2.808 4.066 1.00 33.33 C ATOM 624 CG LEU A 38 -11.501 -1.246 3.969 1.00 61.45 C ATOM 625 CD1 LEU A 38 -11.407 -0.801 2.506 1.00 25.14 C ATOM 626 CD2 LEU A 38 -12.619 -0.427 4.675 1.00 72.31 C ATOM 0 H LEU A 38 -12.210 -5.154 4.436 1.00 22.00 H new ATOM 0 HA LEU A 38 -10.072 -3.525 5.295 1.00 1.34 H new ATOM 0 HB2 LEU A 38 -11.288 -3.262 3.177 1.00 33.33 H new ATOM 0 HB3 LEU A 38 -12.798 -2.993 4.024 1.00 33.33 H new ATOM 0 HG LEU A 38 -10.562 -1.045 4.485 1.00 61.45 H new ATOM 0 HD11 LEU A 38 -11.253 0.277 2.463 1.00 25.14 H new ATOM 0 HD12 LEU A 38 -10.570 -1.307 2.025 1.00 25.14 H new ATOM 0 HD13 LEU A 38 -12.331 -1.056 1.988 1.00 25.14 H new ATOM 0 HD21 LEU A 38 -12.409 0.638 4.574 1.00 72.31 H new ATOM 0 HD22 LEU A 38 -13.581 -0.653 4.215 1.00 72.31 H new ATOM 0 HD23 LEU A 38 -12.652 -0.692 5.732 1.00 72.31 H new ATOM 638 N LYS A 39 -12.881 -2.994 6.968 1.00 53.33 N ATOM 639 CA LYS A 39 -13.463 -2.389 8.186 1.00 21.54 C ATOM 640 C LYS A 39 -12.864 -3.020 9.456 1.00 0.21 C ATOM 641 O LYS A 39 -12.680 -2.338 10.473 1.00 73.12 O ATOM 642 CB LYS A 39 -14.998 -2.557 8.158 1.00 33.55 C ATOM 643 CG LYS A 39 -15.677 -1.889 6.941 1.00 33.11 C ATOM 644 CD LYS A 39 -17.189 -2.212 6.842 1.00 62.22 C ATOM 645 CE LYS A 39 -17.998 -1.696 8.046 1.00 55.41 C ATOM 646 NZ LYS A 39 -19.442 -2.015 7.917 1.00 3.22 N ATOM 0 H LYS A 39 -13.560 -3.503 6.402 1.00 53.33 H new ATOM 0 HA LYS A 39 -13.221 -1.326 8.205 1.00 21.54 H new ATOM 0 HB2 LYS A 39 -15.238 -3.620 8.158 1.00 33.55 H new ATOM 0 HB3 LYS A 39 -15.417 -2.136 9.072 1.00 33.55 H new ATOM 0 HG2 LYS A 39 -15.545 -0.809 7.005 1.00 33.11 H new ATOM 0 HG3 LYS A 39 -15.180 -2.217 6.028 1.00 33.11 H new ATOM 0 HD2 LYS A 39 -17.589 -1.773 5.928 1.00 62.22 H new ATOM 0 HD3 LYS A 39 -17.319 -3.291 6.760 1.00 62.22 H new ATOM 0 HE2 LYS A 39 -17.608 -2.139 8.963 1.00 55.41 H new ATOM 0 HE3 LYS A 39 -17.870 -0.617 8.134 1.00 55.41 H new ATOM 0 HZ1 LYS A 39 -19.953 -1.652 8.747 1.00 3.22 H new ATOM 0 HZ2 LYS A 39 -19.820 -1.571 7.056 1.00 3.22 H new ATOM 0 HZ3 LYS A 39 -19.566 -3.046 7.858 1.00 3.22 H new ATOM 660 N LYS A 40 -12.547 -4.327 9.355 1.00 62.33 N ATOM 661 CA LYS A 40 -11.882 -5.089 10.418 1.00 63.35 C ATOM 662 C LYS A 40 -10.448 -4.591 10.634 1.00 54.21 C ATOM 663 O LYS A 40 -9.996 -4.499 11.769 1.00 71.22 O ATOM 664 CB LYS A 40 -11.897 -6.597 10.090 1.00 23.43 C ATOM 665 CG LYS A 40 -13.300 -7.218 10.213 1.00 51.32 C ATOM 666 CD LYS A 40 -13.365 -8.670 9.719 1.00 24.42 C ATOM 667 CE LYS A 40 -12.446 -9.623 10.494 1.00 34.31 C ATOM 668 NZ LYS A 40 -12.745 -9.606 11.950 1.00 5.31 N ATOM 0 H LYS A 40 -12.749 -4.883 8.524 1.00 62.33 H new ATOM 0 HA LYS A 40 -12.432 -4.934 11.346 1.00 63.35 H new ATOM 0 HB2 LYS A 40 -11.525 -6.748 9.077 1.00 23.43 H new ATOM 0 HB3 LYS A 40 -11.214 -7.117 10.761 1.00 23.43 H new ATOM 0 HG2 LYS A 40 -13.616 -7.181 11.255 1.00 51.32 H new ATOM 0 HG3 LYS A 40 -14.008 -6.616 9.644 1.00 51.32 H new ATOM 0 HD2 LYS A 40 -14.392 -9.026 9.796 1.00 24.42 H new ATOM 0 HD3 LYS A 40 -13.097 -8.698 8.663 1.00 24.42 H new ATOM 0 HE2 LYS A 40 -12.564 -10.636 10.109 1.00 34.31 H new ATOM 0 HE3 LYS A 40 -11.406 -9.339 10.332 1.00 34.31 H new ATOM 0 HZ1 LYS A 40 -12.190 -10.345 12.427 1.00 5.31 H new ATOM 0 HZ2 LYS A 40 -12.496 -8.677 12.345 1.00 5.31 H new ATOM 0 HZ3 LYS A 40 -13.759 -9.785 12.098 1.00 5.31 H new ATOM 682 N GLU A 41 -9.748 -4.259 9.531 1.00 43.44 N ATOM 683 CA GLU A 41 -8.376 -3.735 9.596 1.00 62.23 C ATOM 684 C GLU A 41 -8.352 -2.307 10.145 1.00 10.42 C ATOM 685 O GLU A 41 -7.369 -1.903 10.753 1.00 50.04 O ATOM 686 CB GLU A 41 -7.661 -3.820 8.217 1.00 5.24 C ATOM 687 CG GLU A 41 -7.431 -5.264 7.713 1.00 22.20 C ATOM 688 CD GLU A 41 -6.855 -6.209 8.794 1.00 20.22 C ATOM 689 OE1 GLU A 41 -5.821 -5.863 9.415 1.00 51.41 O ATOM 690 OE2 GLU A 41 -7.426 -7.300 9.023 1.00 61.41 O ATOM 0 H GLU A 41 -10.115 -4.346 8.583 1.00 43.44 H new ATOM 0 HA GLU A 41 -7.821 -4.368 10.289 1.00 62.23 H new ATOM 0 HB2 GLU A 41 -8.253 -3.279 7.479 1.00 5.24 H new ATOM 0 HB3 GLU A 41 -6.698 -3.313 8.287 1.00 5.24 H new ATOM 0 HG2 GLU A 41 -8.376 -5.670 7.353 1.00 22.20 H new ATOM 0 HG3 GLU A 41 -6.750 -5.240 6.862 1.00 22.20 H new ATOM 697 N MET A 42 -9.450 -1.555 9.945 1.00 63.01 N ATOM 698 CA MET A 42 -9.608 -0.212 10.534 1.00 4.53 C ATOM 699 C MET A 42 -9.808 -0.300 12.046 1.00 5.55 C ATOM 700 O MET A 42 -9.448 0.631 12.778 1.00 5.44 O ATOM 701 CB MET A 42 -10.755 0.567 9.846 1.00 60.21 C ATOM 702 CG MET A 42 -10.351 1.050 8.459 1.00 51.04 C ATOM 703 SD MET A 42 -8.879 2.095 8.562 1.00 53.00 S ATOM 704 CE MET A 42 -8.259 2.012 6.895 1.00 35.43 C ATOM 0 H MET A 42 -10.243 -1.856 9.378 1.00 63.01 H new ATOM 0 HA MET A 42 -8.689 0.347 10.359 1.00 4.53 H new ATOM 0 HB2 MET A 42 -11.634 -0.073 9.768 1.00 60.21 H new ATOM 0 HB3 MET A 42 -11.036 1.421 10.462 1.00 60.21 H new ATOM 0 HG2 MET A 42 -10.154 0.195 7.812 1.00 51.04 H new ATOM 0 HG3 MET A 42 -11.171 1.609 8.008 1.00 51.04 H new ATOM 0 HE1 MET A 42 -7.299 1.496 6.889 1.00 35.43 H new ATOM 0 HE2 MET A 42 -8.967 1.468 6.270 1.00 35.43 H new ATOM 0 HE3 MET A 42 -8.131 3.021 6.504 1.00 35.43 H new ATOM 714 N LYS A 43 -10.383 -1.426 12.505 1.00 33.24 N ATOM 715 CA LYS A 43 -10.436 -1.759 13.932 1.00 63.22 C ATOM 716 C LYS A 43 -9.013 -2.052 14.437 1.00 23.21 C ATOM 717 O LYS A 43 -8.574 -1.454 15.417 1.00 24.12 O ATOM 718 CB LYS A 43 -11.357 -2.989 14.180 1.00 61.52 C ATOM 719 CG LYS A 43 -12.852 -2.752 13.883 1.00 5.13 C ATOM 720 CD LYS A 43 -13.532 -1.825 14.921 1.00 22.04 C ATOM 721 CE LYS A 43 -15.037 -1.661 14.665 1.00 10.20 C ATOM 722 NZ LYS A 43 -15.715 -0.923 15.764 1.00 35.14 N ATOM 0 H LYS A 43 -10.819 -2.122 11.900 1.00 33.24 H new ATOM 0 HA LYS A 43 -10.851 -0.912 14.478 1.00 63.22 H new ATOM 0 HB2 LYS A 43 -11.006 -3.817 13.564 1.00 61.52 H new ATOM 0 HB3 LYS A 43 -11.253 -3.299 15.220 1.00 61.52 H new ATOM 0 HG2 LYS A 43 -12.955 -2.315 12.890 1.00 5.13 H new ATOM 0 HG3 LYS A 43 -13.370 -3.711 13.865 1.00 5.13 H new ATOM 0 HD2 LYS A 43 -13.379 -2.231 15.921 1.00 22.04 H new ATOM 0 HD3 LYS A 43 -13.054 -0.846 14.897 1.00 22.04 H new ATOM 0 HE2 LYS A 43 -15.189 -1.130 13.725 1.00 10.20 H new ATOM 0 HE3 LYS A 43 -15.494 -2.644 14.553 1.00 10.20 H new ATOM 0 HZ1 LYS A 43 -16.729 -0.835 15.550 1.00 35.14 H new ATOM 0 HZ2 LYS A 43 -15.594 -1.442 16.657 1.00 35.14 H new ATOM 0 HZ3 LYS A 43 -15.297 0.025 15.855 1.00 35.14 H new ATOM 736 N LYS A 44 -8.304 -2.957 13.719 1.00 54.31 N ATOM 737 CA LYS A 44 -6.954 -3.436 14.084 1.00 51.44 C ATOM 738 C LYS A 44 -5.932 -2.283 14.232 1.00 53.11 C ATOM 739 O LYS A 44 -5.214 -2.228 15.227 1.00 11.14 O ATOM 740 CB LYS A 44 -6.440 -4.469 13.035 1.00 12.22 C ATOM 741 CG LYS A 44 -7.313 -5.751 12.838 1.00 22.22 C ATOM 742 CD LYS A 44 -6.946 -6.965 13.743 1.00 34.10 C ATOM 743 CE LYS A 44 -7.381 -6.836 15.225 1.00 32.53 C ATOM 744 NZ LYS A 44 -6.439 -6.029 16.051 1.00 20.41 N ATOM 0 H LYS A 44 -8.660 -3.378 12.861 1.00 54.31 H new ATOM 0 HA LYS A 44 -7.045 -3.917 15.058 1.00 51.44 H new ATOM 0 HB2 LYS A 44 -6.352 -3.964 12.073 1.00 12.22 H new ATOM 0 HB3 LYS A 44 -5.436 -4.780 13.325 1.00 12.22 H new ATOM 0 HG2 LYS A 44 -8.356 -5.489 13.018 1.00 22.22 H new ATOM 0 HG3 LYS A 44 -7.238 -6.062 11.796 1.00 22.22 H new ATOM 0 HD2 LYS A 44 -7.402 -7.862 13.324 1.00 34.10 H new ATOM 0 HD3 LYS A 44 -5.866 -7.110 13.709 1.00 34.10 H new ATOM 0 HE2 LYS A 44 -8.371 -6.381 15.267 1.00 32.53 H new ATOM 0 HE3 LYS A 44 -7.470 -7.832 15.658 1.00 32.53 H new ATOM 0 HZ1 LYS A 44 -6.041 -6.624 16.805 1.00 20.41 H new ATOM 0 HZ2 LYS A 44 -5.669 -5.671 15.450 1.00 20.41 H new ATOM 0 HZ3 LYS A 44 -6.948 -5.227 16.475 1.00 20.41 H new ATOM 758 N LEU A 45 -5.893 -1.374 13.229 1.00 32.31 N ATOM 759 CA LEU A 45 -4.994 -0.190 13.224 1.00 41.45 C ATOM 760 C LEU A 45 -5.283 0.728 14.433 1.00 5.32 C ATOM 761 O LEU A 45 -4.359 1.253 15.055 1.00 23.42 O ATOM 762 CB LEU A 45 -5.136 0.606 11.889 1.00 62.15 C ATOM 763 CG LEU A 45 -4.731 -0.159 10.583 1.00 65.23 C ATOM 764 CD1 LEU A 45 -5.041 0.675 9.320 1.00 54.33 C ATOM 765 CD2 LEU A 45 -3.247 -0.596 10.621 1.00 45.12 C ATOM 0 H LEU A 45 -6.483 -1.439 12.399 1.00 32.31 H new ATOM 0 HA LEU A 45 -3.968 -0.548 13.305 1.00 41.45 H new ATOM 0 HB2 LEU A 45 -6.173 0.928 11.790 1.00 62.15 H new ATOM 0 HB3 LEU A 45 -4.528 1.508 11.961 1.00 62.15 H new ATOM 0 HG LEU A 45 -5.337 -1.063 10.534 1.00 65.23 H new ATOM 0 HD11 LEU A 45 -4.748 0.114 8.433 1.00 54.33 H new ATOM 0 HD12 LEU A 45 -6.109 0.888 9.278 1.00 54.33 H new ATOM 0 HD13 LEU A 45 -4.485 1.612 9.357 1.00 54.33 H new ATOM 0 HD21 LEU A 45 -2.999 -1.124 9.700 1.00 45.12 H new ATOM 0 HD22 LEU A 45 -2.611 0.284 10.717 1.00 45.12 H new ATOM 0 HD23 LEU A 45 -3.084 -1.256 11.473 1.00 45.12 H new ATOM 777 N ALA A 46 -6.582 0.877 14.757 1.00 43.12 N ATOM 778 CA ALA A 46 -7.057 1.729 15.865 1.00 43.51 C ATOM 779 C ALA A 46 -6.720 1.118 17.244 1.00 73.10 C ATOM 780 O ALA A 46 -6.464 1.853 18.205 1.00 71.52 O ATOM 781 CB ALA A 46 -8.568 1.960 15.732 1.00 52.43 C ATOM 0 H ALA A 46 -7.335 0.407 14.255 1.00 43.12 H new ATOM 0 HA ALA A 46 -6.539 2.686 15.801 1.00 43.51 H new ATOM 0 HB1 ALA A 46 -8.913 2.589 16.552 1.00 52.43 H new ATOM 0 HB2 ALA A 46 -8.779 2.453 14.783 1.00 52.43 H new ATOM 0 HB3 ALA A 46 -9.087 1.002 15.766 1.00 52.43 H new ATOM 787 N GLU A 47 -6.732 -0.231 17.324 1.00 32.22 N ATOM 788 CA GLU A 47 -6.377 -0.989 18.547 1.00 24.22 C ATOM 789 C GLU A 47 -4.863 -0.906 18.801 1.00 52.22 C ATOM 790 O GLU A 47 -4.407 -0.592 19.906 1.00 35.42 O ATOM 791 CB GLU A 47 -6.780 -2.485 18.370 1.00 71.34 C ATOM 792 CG GLU A 47 -8.299 -2.757 18.323 1.00 52.11 C ATOM 793 CD GLU A 47 -8.642 -4.166 17.808 1.00 60.41 C ATOM 794 OE1 GLU A 47 -8.117 -5.155 18.362 1.00 53.42 O ATOM 795 OE2 GLU A 47 -9.381 -4.289 16.811 1.00 73.21 O ATOM 0 H GLU A 47 -6.989 -0.829 16.539 1.00 32.22 H new ATOM 0 HA GLU A 47 -6.910 -0.558 19.394 1.00 24.22 H new ATOM 0 HB2 GLU A 47 -6.332 -2.859 17.449 1.00 71.34 H new ATOM 0 HB3 GLU A 47 -6.350 -3.060 19.190 1.00 71.34 H new ATOM 0 HG2 GLU A 47 -8.716 -2.630 19.322 1.00 52.11 H new ATOM 0 HG3 GLU A 47 -8.776 -2.016 17.682 1.00 52.11 H new ATOM 802 N GLU A 48 -4.104 -1.163 17.729 1.00 20.53 N ATOM 803 CA GLU A 48 -2.656 -1.393 17.782 1.00 52.35 C ATOM 804 C GLU A 48 -1.919 -0.080 17.513 1.00 24.23 C ATOM 805 O GLU A 48 -1.433 0.171 16.403 1.00 50.23 O ATOM 806 CB GLU A 48 -2.278 -2.521 16.777 1.00 73.21 C ATOM 807 CG GLU A 48 -2.945 -3.876 17.121 1.00 34.03 C ATOM 808 CD GLU A 48 -2.827 -4.941 16.018 1.00 74.25 C ATOM 809 OE1 GLU A 48 -1.754 -5.568 15.890 1.00 72.24 O ATOM 810 OE2 GLU A 48 -3.812 -5.153 15.274 1.00 13.32 O ATOM 0 H GLU A 48 -4.486 -1.218 16.785 1.00 20.53 H new ATOM 0 HA GLU A 48 -2.353 -1.729 18.773 1.00 52.35 H new ATOM 0 HB2 GLU A 48 -2.573 -2.220 15.772 1.00 73.21 H new ATOM 0 HB3 GLU A 48 -1.195 -2.646 16.767 1.00 73.21 H new ATOM 0 HG2 GLU A 48 -2.497 -4.266 18.035 1.00 34.03 H new ATOM 0 HG3 GLU A 48 -4.001 -3.704 17.332 1.00 34.03 H new ATOM 817 N LYS A 49 -1.891 0.777 18.559 1.00 20.55 N ATOM 818 CA LYS A 49 -1.164 2.064 18.561 1.00 53.00 C ATOM 819 C LYS A 49 0.366 1.841 18.683 1.00 63.33 C ATOM 820 O LYS A 49 1.158 2.799 18.652 1.00 52.00 O ATOM 821 CB LYS A 49 -1.705 2.972 19.707 1.00 64.54 C ATOM 822 CG LYS A 49 -1.157 4.429 19.717 1.00 14.34 C ATOM 823 CD LYS A 49 -1.501 5.234 18.440 1.00 63.22 C ATOM 824 CE LYS A 49 -2.993 5.582 18.321 1.00 51.31 C ATOM 825 NZ LYS A 49 -3.462 6.411 19.467 1.00 52.04 N ATOM 0 H LYS A 49 -2.379 0.591 19.435 1.00 20.55 H new ATOM 0 HA LYS A 49 -1.337 2.569 17.611 1.00 53.00 H new ATOM 0 HB2 LYS A 49 -2.792 3.011 19.635 1.00 64.54 H new ATOM 0 HB3 LYS A 49 -1.465 2.505 20.662 1.00 64.54 H new ATOM 0 HG2 LYS A 49 -1.559 4.953 20.585 1.00 14.34 H new ATOM 0 HG3 LYS A 49 -0.074 4.399 19.836 1.00 14.34 H new ATOM 0 HD2 LYS A 49 -0.919 6.156 18.433 1.00 63.22 H new ATOM 0 HD3 LYS A 49 -1.199 4.659 17.565 1.00 63.22 H new ATOM 0 HE2 LYS A 49 -3.168 6.119 17.389 1.00 51.31 H new ATOM 0 HE3 LYS A 49 -3.578 4.663 18.274 1.00 51.31 H new ATOM 0 HZ1 LYS A 49 -4.406 6.794 19.255 1.00 52.04 H new ATOM 0 HZ2 LYS A 49 -3.511 5.823 20.324 1.00 52.04 H new ATOM 0 HZ3 LYS A 49 -2.797 7.196 19.623 1.00 52.04 H new ATOM 839 N ASN A 50 0.755 0.554 18.835 1.00 34.32 N ATOM 840 CA ASN A 50 2.154 0.103 18.809 1.00 4.45 C ATOM 841 C ASN A 50 2.897 0.715 17.606 1.00 5.42 C ATOM 842 O ASN A 50 2.395 0.682 16.472 1.00 22.53 O ATOM 843 CB ASN A 50 2.236 -1.449 18.731 1.00 14.31 C ATOM 844 CG ASN A 50 1.548 -2.188 19.881 1.00 60.23 C ATOM 845 OD1 ASN A 50 1.461 -1.689 21.005 1.00 2.54 O ATOM 846 ND2 ASN A 50 1.076 -3.397 19.614 1.00 22.54 N ATOM 0 H ASN A 50 0.091 -0.207 18.981 1.00 34.32 H new ATOM 0 HA ASN A 50 2.627 0.436 19.733 1.00 4.45 H new ATOM 0 HB2 ASN A 50 1.791 -1.775 17.791 1.00 14.31 H new ATOM 0 HB3 ASN A 50 3.286 -1.742 18.706 1.00 14.31 H new ATOM 0 HD21 ASN A 50 0.625 -3.942 20.349 1.00 22.54 H new ATOM 0 HD22 ASN A 50 1.163 -3.782 18.674 1.00 22.54 H new ATOM 853 N PHE A 51 4.091 1.265 17.871 1.00 53.43 N ATOM 854 CA PHE A 51 4.947 1.905 16.848 1.00 73.25 C ATOM 855 C PHE A 51 5.541 0.887 15.853 1.00 3.00 C ATOM 856 O PHE A 51 6.375 1.260 15.033 1.00 15.12 O ATOM 857 CB PHE A 51 6.066 2.755 17.529 1.00 65.11 C ATOM 858 CG PHE A 51 5.586 4.127 18.033 1.00 23.53 C ATOM 859 CD1 PHE A 51 4.680 4.228 19.093 1.00 34.21 C ATOM 860 CD2 PHE A 51 6.026 5.309 17.429 1.00 25.24 C ATOM 861 CE1 PHE A 51 4.236 5.460 19.533 1.00 74.22 C ATOM 862 CE2 PHE A 51 5.578 6.538 17.873 1.00 21.12 C ATOM 863 CZ PHE A 51 4.684 6.615 18.923 1.00 2.03 C ATOM 0 H PHE A 51 4.497 1.281 18.806 1.00 53.43 H new ATOM 0 HA PHE A 51 4.312 2.570 16.263 1.00 73.25 H new ATOM 0 HB2 PHE A 51 6.475 2.193 18.369 1.00 65.11 H new ATOM 0 HB3 PHE A 51 6.879 2.904 16.818 1.00 65.11 H new ATOM 0 HD1 PHE A 51 4.322 3.330 19.575 1.00 34.21 H new ATOM 0 HD2 PHE A 51 6.724 5.260 16.606 1.00 25.24 H new ATOM 0 HE1 PHE A 51 3.538 5.520 20.355 1.00 74.22 H new ATOM 0 HE2 PHE A 51 5.928 7.442 17.397 1.00 21.12 H new ATOM 0 HZ PHE A 51 4.336 7.578 19.267 1.00 2.03 H new ATOM 873 N GLU A 52 5.102 -0.393 15.935 1.00 44.45 N ATOM 874 CA GLU A 52 5.309 -1.384 14.871 1.00 73.42 C ATOM 875 C GLU A 52 4.670 -0.861 13.560 1.00 62.31 C ATOM 876 O GLU A 52 3.524 -0.358 13.560 1.00 24.13 O ATOM 877 CB GLU A 52 4.710 -2.762 15.284 1.00 63.24 C ATOM 878 CG GLU A 52 3.167 -2.799 15.435 1.00 54.45 C ATOM 879 CD GLU A 52 2.626 -4.182 15.844 1.00 23.03 C ATOM 880 OE1 GLU A 52 2.331 -5.005 14.950 1.00 32.25 O ATOM 881 OE2 GLU A 52 2.522 -4.460 17.062 1.00 24.05 O ATOM 0 H GLU A 52 4.597 -0.758 16.742 1.00 44.45 H new ATOM 0 HA GLU A 52 6.377 -1.530 14.708 1.00 73.42 H new ATOM 0 HB2 GLU A 52 5.003 -3.504 14.541 1.00 63.24 H new ATOM 0 HB3 GLU A 52 5.158 -3.065 16.230 1.00 63.24 H new ATOM 0 HG2 GLU A 52 2.864 -2.064 16.181 1.00 54.45 H new ATOM 0 HG3 GLU A 52 2.710 -2.503 14.491 1.00 54.45 H new ATOM 888 N LYS A 53 5.432 -0.915 12.462 1.00 13.50 N ATOM 889 CA LYS A 53 4.971 -0.396 11.165 1.00 14.34 C ATOM 890 C LYS A 53 4.198 -1.486 10.418 1.00 11.10 C ATOM 891 O LYS A 53 4.677 -2.622 10.281 1.00 24.30 O ATOM 892 CB LYS A 53 6.157 0.156 10.327 1.00 52.24 C ATOM 893 CG LYS A 53 7.022 1.229 11.050 1.00 35.25 C ATOM 894 CD LYS A 53 6.171 2.260 11.837 1.00 55.01 C ATOM 895 CE LYS A 53 7.005 3.382 12.473 1.00 42.53 C ATOM 896 NZ LYS A 53 8.112 2.861 13.324 1.00 41.05 N ATOM 0 H LYS A 53 6.371 -1.313 12.443 1.00 13.50 H new ATOM 0 HA LYS A 53 4.296 0.442 11.337 1.00 14.34 H new ATOM 0 HB2 LYS A 53 6.800 -0.676 10.041 1.00 52.24 H new ATOM 0 HB3 LYS A 53 5.764 0.587 9.406 1.00 52.24 H new ATOM 0 HG2 LYS A 53 7.709 0.733 11.736 1.00 35.25 H new ATOM 0 HG3 LYS A 53 7.631 1.754 10.314 1.00 35.25 H new ATOM 0 HD2 LYS A 53 5.435 2.701 11.165 1.00 55.01 H new ATOM 0 HD3 LYS A 53 5.617 1.741 12.619 1.00 55.01 H new ATOM 0 HE2 LYS A 53 7.422 4.011 11.686 1.00 42.53 H new ATOM 0 HE3 LYS A 53 6.355 4.015 13.077 1.00 42.53 H new ATOM 0 HZ1 LYS A 53 8.434 3.609 13.971 1.00 41.05 H new ATOM 0 HZ2 LYS A 53 7.772 2.048 13.876 1.00 41.05 H new ATOM 0 HZ3 LYS A 53 8.903 2.562 12.719 1.00 41.05 H new ATOM 910 N ILE A 54 2.982 -1.133 9.963 1.00 51.21 N ATOM 911 CA ILE A 54 2.040 -2.075 9.341 1.00 12.12 C ATOM 912 C ILE A 54 1.953 -1.772 7.838 1.00 11.54 C ATOM 913 O ILE A 54 1.822 -0.612 7.435 1.00 4.35 O ATOM 914 CB ILE A 54 0.597 -1.965 9.985 1.00 44.41 C ATOM 915 CG1 ILE A 54 0.650 -2.161 11.540 1.00 74.41 C ATOM 916 CG2 ILE A 54 -0.397 -2.970 9.338 1.00 61.20 C ATOM 917 CD1 ILE A 54 1.131 -3.522 12.009 1.00 64.52 C ATOM 0 H ILE A 54 2.625 -0.179 10.018 1.00 51.21 H new ATOM 0 HA ILE A 54 2.405 -3.088 9.507 1.00 12.12 H new ATOM 0 HB ILE A 54 0.231 -0.958 9.783 1.00 44.41 H new ATOM 0 HG12 ILE A 54 1.303 -1.398 11.963 1.00 74.41 H new ATOM 0 HG13 ILE A 54 -0.347 -1.987 11.945 1.00 74.41 H new ATOM 0 HG21 ILE A 54 -1.376 -2.865 9.805 1.00 61.20 H new ATOM 0 HG22 ILE A 54 -0.480 -2.764 8.271 1.00 61.20 H new ATOM 0 HG23 ILE A 54 -0.032 -3.987 9.483 1.00 61.20 H new ATOM 0 HD11 ILE A 54 1.130 -3.553 13.099 1.00 64.52 H new ATOM 0 HD12 ILE A 54 0.467 -4.295 11.624 1.00 64.52 H new ATOM 0 HD13 ILE A 54 2.142 -3.697 11.642 1.00 64.52 H new ATOM 929 N LEU A 55 2.053 -2.819 7.034 1.00 54.25 N ATOM 930 CA LEU A 55 1.911 -2.746 5.580 1.00 41.42 C ATOM 931 C LEU A 55 0.533 -3.332 5.222 1.00 40.32 C ATOM 932 O LEU A 55 0.178 -4.398 5.709 1.00 41.13 O ATOM 933 CB LEU A 55 3.102 -3.515 4.933 1.00 54.30 C ATOM 934 CG LEU A 55 3.337 -3.317 3.390 1.00 40.20 C ATOM 935 CD1 LEU A 55 4.812 -3.536 3.018 1.00 11.35 C ATOM 936 CD2 LEU A 55 2.444 -4.228 2.529 1.00 34.02 C ATOM 0 H LEU A 55 2.238 -3.762 7.375 1.00 54.25 H new ATOM 0 HA LEU A 55 1.948 -1.726 5.198 1.00 41.42 H new ATOM 0 HB2 LEU A 55 4.014 -3.223 5.453 1.00 54.30 H new ATOM 0 HB3 LEU A 55 2.956 -4.579 5.118 1.00 54.30 H new ATOM 0 HG LEU A 55 3.061 -2.285 3.175 1.00 40.20 H new ATOM 0 HD11 LEU A 55 4.942 -3.392 1.945 1.00 11.35 H new ATOM 0 HD12 LEU A 55 5.433 -2.821 3.558 1.00 11.35 H new ATOM 0 HD13 LEU A 55 5.108 -4.550 3.287 1.00 11.35 H new ATOM 0 HD21 LEU A 55 2.650 -4.047 1.474 1.00 34.02 H new ATOM 0 HD22 LEU A 55 2.653 -5.271 2.766 1.00 34.02 H new ATOM 0 HD23 LEU A 55 1.396 -4.011 2.736 1.00 34.02 H new ATOM 948 N ILE A 56 -0.257 -2.606 4.421 1.00 14.45 N ATOM 949 CA ILE A 56 -1.594 -3.058 3.983 1.00 3.45 C ATOM 950 C ILE A 56 -1.583 -3.214 2.447 1.00 62.42 C ATOM 951 O ILE A 56 -1.208 -2.290 1.731 1.00 2.05 O ATOM 952 CB ILE A 56 -2.738 -2.038 4.381 1.00 21.55 C ATOM 953 CG1 ILE A 56 -2.755 -1.706 5.918 1.00 60.33 C ATOM 954 CG2 ILE A 56 -4.134 -2.551 3.919 1.00 4.30 C ATOM 955 CD1 ILE A 56 -3.172 -2.845 6.828 1.00 2.55 C ATOM 0 H ILE A 56 0.007 -1.691 4.056 1.00 14.45 H new ATOM 0 HA ILE A 56 -1.805 -4.004 4.481 1.00 3.45 H new ATOM 0 HB ILE A 56 -2.513 -1.109 3.858 1.00 21.55 H new ATOM 0 HG12 ILE A 56 -1.759 -1.376 6.212 1.00 60.33 H new ATOM 0 HG13 ILE A 56 -3.430 -0.866 6.083 1.00 60.33 H new ATOM 0 HG21 ILE A 56 -4.900 -1.830 4.206 1.00 4.30 H new ATOM 0 HG22 ILE A 56 -4.137 -2.672 2.836 1.00 4.30 H new ATOM 0 HG23 ILE A 56 -4.344 -3.511 4.392 1.00 4.30 H new ATOM 0 HD11 ILE A 56 -3.149 -2.509 7.865 1.00 2.55 H new ATOM 0 HD12 ILE A 56 -4.182 -3.164 6.572 1.00 2.55 H new ATOM 0 HD13 ILE A 56 -2.484 -3.681 6.702 1.00 2.55 H new ATOM 967 N ILE A 57 -1.998 -4.392 1.970 1.00 13.31 N ATOM 968 CA ILE A 57 -2.182 -4.688 0.544 1.00 21.33 C ATOM 969 C ILE A 57 -3.686 -4.831 0.272 1.00 60.04 C ATOM 970 O ILE A 57 -4.413 -5.423 1.074 1.00 21.22 O ATOM 971 CB ILE A 57 -1.407 -5.995 0.104 1.00 71.31 C ATOM 972 CG1 ILE A 57 0.134 -5.793 0.300 1.00 31.40 C ATOM 973 CG2 ILE A 57 -1.741 -6.392 -1.363 1.00 60.32 C ATOM 974 CD1 ILE A 57 1.011 -6.975 -0.083 1.00 70.51 C ATOM 0 H ILE A 57 -2.220 -5.182 2.575 1.00 13.31 H new ATOM 0 HA ILE A 57 -1.766 -3.870 -0.044 1.00 21.33 H new ATOM 0 HB ILE A 57 -1.735 -6.818 0.738 1.00 71.31 H new ATOM 0 HG12 ILE A 57 0.445 -4.929 -0.287 1.00 31.40 H new ATOM 0 HG13 ILE A 57 0.319 -5.551 1.347 1.00 31.40 H new ATOM 0 HG21 ILE A 57 -1.190 -7.294 -1.630 1.00 60.32 H new ATOM 0 HG22 ILE A 57 -2.811 -6.579 -1.455 1.00 60.32 H new ATOM 0 HG23 ILE A 57 -1.456 -5.581 -2.033 1.00 60.32 H new ATOM 0 HD11 ILE A 57 2.057 -6.724 0.093 1.00 70.51 H new ATOM 0 HD12 ILE A 57 0.739 -7.841 0.521 1.00 70.51 H new ATOM 0 HD13 ILE A 57 0.867 -7.208 -1.138 1.00 70.51 H new ATOM 986 N SER A 58 -4.141 -4.258 -0.843 1.00 52.13 N ATOM 987 CA SER A 58 -5.522 -4.377 -1.314 1.00 35.00 C ATOM 988 C SER A 58 -5.487 -4.621 -2.826 1.00 31.24 C ATOM 989 O SER A 58 -4.911 -3.816 -3.563 1.00 44.25 O ATOM 990 CB SER A 58 -6.322 -3.096 -0.978 1.00 62.23 C ATOM 991 OG SER A 58 -7.674 -3.209 -1.389 1.00 54.13 O ATOM 0 H SER A 58 -3.553 -3.690 -1.453 1.00 52.13 H new ATOM 0 HA SER A 58 -6.020 -5.209 -0.817 1.00 35.00 H new ATOM 0 HB2 SER A 58 -6.281 -2.910 0.095 1.00 62.23 H new ATOM 0 HB3 SER A 58 -5.861 -2.238 -1.468 1.00 62.23 H new ATOM 0 HG SER A 58 -7.802 -2.724 -2.231 1.00 54.13 H new ATOM 997 N ASN A 59 -6.084 -5.741 -3.273 1.00 43.41 N ATOM 998 CA ASN A 59 -6.115 -6.127 -4.706 1.00 51.22 C ATOM 999 C ASN A 59 -7.189 -5.352 -5.473 1.00 73.15 C ATOM 1000 O ASN A 59 -7.255 -5.429 -6.700 1.00 2.24 O ATOM 1001 CB ASN A 59 -6.370 -7.648 -4.886 1.00 61.25 C ATOM 1002 CG ASN A 59 -5.310 -8.543 -4.250 1.00 62.22 C ATOM 1003 OD1 ASN A 59 -4.749 -8.221 -3.203 1.00 0.15 O ATOM 1004 ND2 ASN A 59 -5.034 -9.681 -4.878 1.00 63.51 N ATOM 0 H ASN A 59 -6.557 -6.404 -2.659 1.00 43.41 H new ATOM 0 HA ASN A 59 -5.134 -5.879 -5.110 1.00 51.22 H new ATOM 0 HB2 ASN A 59 -7.341 -7.895 -4.458 1.00 61.25 H new ATOM 0 HB3 ASN A 59 -6.426 -7.871 -5.951 1.00 61.25 H new ATOM 0 HD21 ASN A 59 -4.338 -10.320 -4.494 1.00 63.51 H new ATOM 0 HD22 ASN A 59 -5.519 -9.916 -5.744 1.00 63.51 H new ATOM 1011 N ASP A 60 -8.042 -4.631 -4.736 1.00 1.32 N ATOM 1012 CA ASP A 60 -9.137 -3.844 -5.303 1.00 5.31 C ATOM 1013 C ASP A 60 -8.861 -2.358 -5.051 1.00 60.43 C ATOM 1014 O ASP A 60 -8.569 -1.948 -3.918 1.00 4.21 O ATOM 1015 CB ASP A 60 -10.477 -4.285 -4.672 1.00 61.33 C ATOM 1016 CG ASP A 60 -11.696 -3.580 -5.283 1.00 2.30 C ATOM 1017 OD1 ASP A 60 -12.227 -4.060 -6.306 1.00 53.44 O ATOM 1018 OD2 ASP A 60 -12.107 -2.524 -4.762 1.00 25.22 O ATOM 0 H ASP A 60 -7.989 -4.579 -3.719 1.00 1.32 H new ATOM 0 HA ASP A 60 -9.206 -4.008 -6.378 1.00 5.31 H new ATOM 0 HB2 ASP A 60 -10.591 -5.362 -4.793 1.00 61.33 H new ATOM 0 HB3 ASP A 60 -10.449 -4.085 -3.601 1.00 61.33 H new ATOM 1023 N LYS A 61 -8.970 -1.569 -6.120 1.00 10.22 N ATOM 1024 CA LYS A 61 -8.619 -0.145 -6.124 1.00 44.42 C ATOM 1025 C LYS A 61 -9.646 0.723 -5.366 1.00 71.42 C ATOM 1026 O LYS A 61 -9.282 1.781 -4.833 1.00 5.04 O ATOM 1027 CB LYS A 61 -8.442 0.343 -7.584 1.00 10.12 C ATOM 1028 CG LYS A 61 -7.206 -0.250 -8.299 1.00 4.42 C ATOM 1029 CD LYS A 61 -6.952 0.398 -9.679 1.00 72.05 C ATOM 1030 CE LYS A 61 -5.656 -0.102 -10.344 1.00 51.32 C ATOM 1031 NZ LYS A 61 -5.701 -1.558 -10.611 1.00 62.22 N ATOM 0 H LYS A 61 -9.309 -1.904 -7.022 1.00 10.22 H new ATOM 0 HA LYS A 61 -7.676 -0.033 -5.589 1.00 44.42 H new ATOM 0 HB2 LYS A 61 -9.336 0.087 -8.153 1.00 10.12 H new ATOM 0 HB3 LYS A 61 -8.363 1.430 -7.586 1.00 10.12 H new ATOM 0 HG2 LYS A 61 -6.326 -0.114 -7.670 1.00 4.42 H new ATOM 0 HG3 LYS A 61 -7.344 -1.324 -8.425 1.00 4.42 H new ATOM 0 HD2 LYS A 61 -7.796 0.187 -10.335 1.00 72.05 H new ATOM 0 HD3 LYS A 61 -6.901 1.481 -9.563 1.00 72.05 H new ATOM 0 HE2 LYS A 61 -5.497 0.434 -11.280 1.00 51.32 H new ATOM 0 HE3 LYS A 61 -4.806 0.123 -9.699 1.00 51.32 H new ATOM 0 HZ1 LYS A 61 -5.046 -1.789 -11.385 1.00 62.22 H new ATOM 0 HZ2 LYS A 61 -5.421 -2.077 -9.754 1.00 62.22 H new ATOM 0 HZ3 LYS A 61 -6.667 -1.832 -10.882 1.00 62.22 H new ATOM 1045 N GLN A 62 -10.916 0.267 -5.293 1.00 74.10 N ATOM 1046 CA GLN A 62 -11.956 0.973 -4.518 1.00 61.43 C ATOM 1047 C GLN A 62 -11.683 0.773 -3.023 1.00 74.31 C ATOM 1048 O GLN A 62 -11.770 1.722 -2.247 1.00 30.15 O ATOM 1049 CB GLN A 62 -13.388 0.489 -4.885 1.00 30.02 C ATOM 1050 CG GLN A 62 -14.533 1.128 -4.050 1.00 12.25 C ATOM 1051 CD GLN A 62 -14.652 2.643 -4.244 1.00 11.01 C ATOM 1052 OE1 GLN A 62 -15.369 3.112 -5.123 1.00 31.41 O ATOM 1053 NE2 GLN A 62 -13.956 3.415 -3.427 1.00 31.41 N ATOM 0 H GLN A 62 -11.242 -0.580 -5.758 1.00 74.10 H new ATOM 0 HA GLN A 62 -11.912 2.034 -4.765 1.00 61.43 H new ATOM 0 HB2 GLN A 62 -13.567 0.699 -5.939 1.00 30.02 H new ATOM 0 HB3 GLN A 62 -13.431 -0.593 -4.764 1.00 30.02 H new ATOM 0 HG2 GLN A 62 -15.478 0.658 -4.323 1.00 12.25 H new ATOM 0 HG3 GLN A 62 -14.365 0.916 -2.994 1.00 12.25 H new ATOM 0 HE21 GLN A 62 -13.369 2.996 -2.706 1.00 31.41 H new ATOM 0 HE22 GLN A 62 -14.006 4.430 -3.518 1.00 31.41 H new ATOM 1062 N LEU A 63 -11.307 -0.467 -2.640 1.00 32.54 N ATOM 1063 CA LEU A 63 -10.955 -0.807 -1.251 1.00 71.51 C ATOM 1064 C LEU A 63 -9.688 -0.051 -0.817 1.00 15.14 C ATOM 1065 O LEU A 63 -9.529 0.274 0.351 1.00 24.23 O ATOM 1066 CB LEU A 63 -10.740 -2.337 -1.088 1.00 23.30 C ATOM 1067 CG LEU A 63 -11.987 -3.244 -1.309 1.00 22.52 C ATOM 1068 CD1 LEU A 63 -11.623 -4.733 -1.136 1.00 60.42 C ATOM 1069 CD2 LEU A 63 -13.150 -2.840 -0.384 1.00 25.14 C ATOM 0 H LEU A 63 -11.240 -1.255 -3.285 1.00 32.54 H new ATOM 0 HA LEU A 63 -11.785 -0.506 -0.612 1.00 71.51 H new ATOM 0 HB2 LEU A 63 -9.964 -2.648 -1.787 1.00 23.30 H new ATOM 0 HB3 LEU A 63 -10.358 -2.522 -0.084 1.00 23.30 H new ATOM 0 HG LEU A 63 -12.325 -3.099 -2.335 1.00 22.52 H new ATOM 0 HD11 LEU A 63 -12.511 -5.345 -1.295 1.00 60.42 H new ATOM 0 HD12 LEU A 63 -10.858 -5.007 -1.862 1.00 60.42 H new ATOM 0 HD13 LEU A 63 -11.243 -4.900 -0.128 1.00 60.42 H new ATOM 0 HD21 LEU A 63 -14.003 -3.494 -0.565 1.00 25.14 H new ATOM 0 HD22 LEU A 63 -12.837 -2.932 0.656 1.00 25.14 H new ATOM 0 HD23 LEU A 63 -13.435 -1.808 -0.587 1.00 25.14 H new ATOM 1081 N LEU A 64 -8.791 0.217 -1.781 1.00 61.04 N ATOM 1082 CA LEU A 64 -7.593 1.033 -1.539 1.00 13.40 C ATOM 1083 C LEU A 64 -7.990 2.478 -1.196 1.00 21.00 C ATOM 1084 O LEU A 64 -7.474 3.050 -0.231 1.00 22.44 O ATOM 1085 CB LEU A 64 -6.648 0.981 -2.769 1.00 31.22 C ATOM 1086 CG LEU A 64 -5.319 1.830 -2.678 1.00 21.35 C ATOM 1087 CD1 LEU A 64 -4.188 1.154 -3.443 1.00 53.25 C ATOM 1088 CD2 LEU A 64 -5.491 3.284 -3.192 1.00 1.34 C ATOM 0 H LEU A 64 -8.875 -0.122 -2.739 1.00 61.04 H new ATOM 0 HA LEU A 64 -7.053 0.624 -0.685 1.00 13.40 H new ATOM 0 HB2 LEU A 64 -6.376 -0.060 -2.945 1.00 31.22 H new ATOM 0 HB3 LEU A 64 -7.207 1.317 -3.642 1.00 31.22 H new ATOM 0 HG LEU A 64 -5.069 1.882 -1.618 1.00 21.35 H new ATOM 0 HD11 LEU A 64 -3.284 1.758 -3.365 1.00 53.25 H new ATOM 0 HD12 LEU A 64 -4.002 0.167 -3.020 1.00 53.25 H new ATOM 0 HD13 LEU A 64 -4.468 1.053 -4.492 1.00 53.25 H new ATOM 0 HD21 LEU A 64 -4.544 3.816 -3.103 1.00 1.34 H new ATOM 0 HD22 LEU A 64 -5.801 3.266 -4.237 1.00 1.34 H new ATOM 0 HD23 LEU A 64 -6.250 3.793 -2.597 1.00 1.34 H new ATOM 1100 N LYS A 65 -8.899 3.059 -2.012 1.00 55.22 N ATOM 1101 CA LYS A 65 -9.396 4.432 -1.817 1.00 50.10 C ATOM 1102 C LYS A 65 -10.075 4.587 -0.452 1.00 72.22 C ATOM 1103 O LYS A 65 -9.722 5.494 0.300 1.00 21.54 O ATOM 1104 CB LYS A 65 -10.353 4.839 -2.970 1.00 14.15 C ATOM 1105 CG LYS A 65 -9.625 5.181 -4.290 1.00 13.13 C ATOM 1106 CD LYS A 65 -10.580 5.626 -5.427 1.00 21.02 C ATOM 1107 CE LYS A 65 -11.537 6.763 -5.020 1.00 1.05 C ATOM 1108 NZ LYS A 65 -10.841 7.895 -4.346 1.00 42.33 N ATOM 0 H LYS A 65 -9.305 2.587 -2.820 1.00 55.22 H new ATOM 0 HA LYS A 65 -8.540 5.106 -1.836 1.00 50.10 H new ATOM 0 HB2 LYS A 65 -11.054 4.025 -3.153 1.00 14.15 H new ATOM 0 HB3 LYS A 65 -10.941 5.701 -2.655 1.00 14.15 H new ATOM 0 HG2 LYS A 65 -8.903 5.975 -4.102 1.00 13.13 H new ATOM 0 HG3 LYS A 65 -9.061 4.309 -4.621 1.00 13.13 H new ATOM 0 HD2 LYS A 65 -9.987 5.950 -6.282 1.00 21.02 H new ATOM 0 HD3 LYS A 65 -11.167 4.768 -5.754 1.00 21.02 H new ATOM 0 HE2 LYS A 65 -12.049 7.135 -5.907 1.00 1.05 H new ATOM 0 HE3 LYS A 65 -12.302 6.365 -4.354 1.00 1.05 H new ATOM 0 HZ1 LYS A 65 -11.231 8.796 -4.689 1.00 42.33 H new ATOM 0 HZ2 LYS A 65 -10.981 7.826 -3.318 1.00 42.33 H new ATOM 0 HZ3 LYS A 65 -9.824 7.854 -4.560 1.00 42.33 H new ATOM 1122 N GLU A 66 -11.013 3.664 -0.135 1.00 62.51 N ATOM 1123 CA GLU A 66 -11.722 3.646 1.155 1.00 44.13 C ATOM 1124 C GLU A 66 -10.717 3.594 2.313 1.00 44.43 C ATOM 1125 O GLU A 66 -10.822 4.374 3.255 1.00 44.35 O ATOM 1126 CB GLU A 66 -12.679 2.427 1.256 1.00 41.33 C ATOM 1127 CG GLU A 66 -13.797 2.370 0.202 1.00 15.42 C ATOM 1128 CD GLU A 66 -14.735 3.589 0.223 1.00 75.34 C ATOM 1129 OE1 GLU A 66 -15.425 3.803 1.243 1.00 31.52 O ATOM 1130 OE2 GLU A 66 -14.795 4.332 -0.774 1.00 52.24 O ATOM 0 H GLU A 66 -11.295 2.915 -0.768 1.00 62.51 H new ATOM 0 HA GLU A 66 -12.312 4.560 1.219 1.00 44.13 H new ATOM 0 HB2 GLU A 66 -12.086 1.515 1.180 1.00 41.33 H new ATOM 0 HB3 GLU A 66 -13.137 2.428 2.245 1.00 41.33 H new ATOM 0 HG2 GLU A 66 -13.347 2.287 -0.787 1.00 15.42 H new ATOM 0 HG3 GLU A 66 -14.387 1.467 0.360 1.00 15.42 H new ATOM 1137 N MET A 67 -9.729 2.673 2.179 1.00 5.41 N ATOM 1138 CA MET A 67 -8.655 2.451 3.162 1.00 62.12 C ATOM 1139 C MET A 67 -7.952 3.782 3.505 1.00 32.15 C ATOM 1140 O MET A 67 -7.942 4.188 4.656 1.00 20.04 O ATOM 1141 CB MET A 67 -7.628 1.417 2.608 1.00 2.03 C ATOM 1142 CG MET A 67 -6.621 0.866 3.637 1.00 21.22 C ATOM 1143 SD MET A 67 -7.362 -0.316 4.789 1.00 60.35 S ATOM 1144 CE MET A 67 -7.788 -1.676 3.702 1.00 33.44 C ATOM 0 H MET A 67 -9.662 2.057 1.369 1.00 5.41 H new ATOM 0 HA MET A 67 -9.094 2.052 4.076 1.00 62.12 H new ATOM 0 HB2 MET A 67 -8.178 0.579 2.179 1.00 2.03 H new ATOM 0 HB3 MET A 67 -7.072 1.883 1.795 1.00 2.03 H new ATOM 0 HG2 MET A 67 -5.798 0.384 3.109 1.00 21.22 H new ATOM 0 HG3 MET A 67 -6.195 1.696 4.201 1.00 21.22 H new ATOM 0 HE1 MET A 67 -8.221 -2.488 4.287 1.00 33.44 H new ATOM 0 HE2 MET A 67 -8.512 -1.337 2.961 1.00 33.44 H new ATOM 0 HE3 MET A 67 -6.891 -2.032 3.196 1.00 33.44 H new ATOM 1154 N LEU A 68 -7.454 4.482 2.465 1.00 34.52 N ATOM 1155 CA LEU A 68 -6.681 5.737 2.616 1.00 54.51 C ATOM 1156 C LEU A 68 -7.513 6.862 3.247 1.00 31.02 C ATOM 1157 O LEU A 68 -7.037 7.567 4.138 1.00 52.24 O ATOM 1158 CB LEU A 68 -6.126 6.198 1.244 1.00 15.42 C ATOM 1159 CG LEU A 68 -5.092 5.242 0.588 1.00 41.23 C ATOM 1160 CD1 LEU A 68 -4.583 5.807 -0.743 1.00 14.54 C ATOM 1161 CD2 LEU A 68 -3.924 4.949 1.546 1.00 14.10 C ATOM 0 H LEU A 68 -7.576 4.194 1.494 1.00 34.52 H new ATOM 0 HA LEU A 68 -5.853 5.522 3.292 1.00 54.51 H new ATOM 0 HB2 LEU A 68 -6.963 6.327 0.557 1.00 15.42 H new ATOM 0 HB3 LEU A 68 -5.662 7.177 1.369 1.00 15.42 H new ATOM 0 HG LEU A 68 -5.597 4.299 0.378 1.00 41.23 H new ATOM 0 HD11 LEU A 68 -3.861 5.117 -1.179 1.00 14.54 H new ATOM 0 HD12 LEU A 68 -5.421 5.936 -1.428 1.00 14.54 H new ATOM 0 HD13 LEU A 68 -4.105 6.771 -0.570 1.00 14.54 H new ATOM 0 HD21 LEU A 68 -3.215 4.277 1.061 1.00 14.10 H new ATOM 0 HD22 LEU A 68 -3.422 5.882 1.804 1.00 14.10 H new ATOM 0 HD23 LEU A 68 -4.306 4.480 2.453 1.00 14.10 H new ATOM 1173 N GLU A 69 -8.764 6.995 2.785 1.00 32.10 N ATOM 1174 CA GLU A 69 -9.687 8.060 3.220 1.00 30.44 C ATOM 1175 C GLU A 69 -10.175 7.814 4.669 1.00 63.20 C ATOM 1176 O GLU A 69 -10.590 8.748 5.362 1.00 40.23 O ATOM 1177 CB GLU A 69 -10.846 8.174 2.185 1.00 64.03 C ATOM 1178 CG GLU A 69 -10.323 8.510 0.761 1.00 35.14 C ATOM 1179 CD GLU A 69 -11.401 8.629 -0.332 1.00 73.22 C ATOM 1180 OE1 GLU A 69 -12.296 9.487 -0.200 1.00 44.42 O ATOM 1181 OE2 GLU A 69 -11.327 7.901 -1.355 1.00 22.30 O ATOM 0 H GLU A 69 -9.170 6.364 2.094 1.00 32.10 H new ATOM 0 HA GLU A 69 -9.172 9.020 3.248 1.00 30.44 H new ATOM 0 HB2 GLU A 69 -11.400 7.236 2.156 1.00 64.03 H new ATOM 0 HB3 GLU A 69 -11.545 8.947 2.506 1.00 64.03 H new ATOM 0 HG2 GLU A 69 -9.773 9.450 0.808 1.00 35.14 H new ATOM 0 HG3 GLU A 69 -9.612 7.739 0.463 1.00 35.14 H new ATOM 1188 N LEU A 70 -10.107 6.549 5.112 1.00 52.10 N ATOM 1189 CA LEU A 70 -10.321 6.163 6.520 1.00 2.21 C ATOM 1190 C LEU A 70 -9.039 6.364 7.366 1.00 14.21 C ATOM 1191 O LEU A 70 -9.131 6.672 8.562 1.00 62.11 O ATOM 1192 CB LEU A 70 -10.813 4.697 6.579 1.00 33.32 C ATOM 1193 CG LEU A 70 -12.285 4.470 6.108 1.00 15.35 C ATOM 1194 CD1 LEU A 70 -12.562 2.983 5.830 1.00 32.34 C ATOM 1195 CD2 LEU A 70 -13.283 5.039 7.136 1.00 51.03 C ATOM 0 H LEU A 70 -9.901 5.758 4.501 1.00 52.10 H new ATOM 0 HA LEU A 70 -11.084 6.811 6.951 1.00 2.21 H new ATOM 0 HB2 LEU A 70 -10.153 4.084 5.965 1.00 33.32 H new ATOM 0 HB3 LEU A 70 -10.717 4.339 7.604 1.00 33.32 H new ATOM 0 HG LEU A 70 -12.422 5.009 5.170 1.00 15.35 H new ATOM 0 HD11 LEU A 70 -13.595 2.860 5.504 1.00 32.34 H new ATOM 0 HD12 LEU A 70 -11.890 2.628 5.049 1.00 32.34 H new ATOM 0 HD13 LEU A 70 -12.397 2.406 6.740 1.00 32.34 H new ATOM 0 HD21 LEU A 70 -14.301 4.869 6.787 1.00 51.03 H new ATOM 0 HD22 LEU A 70 -13.141 4.541 8.095 1.00 51.03 H new ATOM 0 HD23 LEU A 70 -13.113 6.109 7.254 1.00 51.03 H new ATOM 1207 N ILE A 71 -7.846 6.187 6.744 1.00 33.01 N ATOM 1208 CA ILE A 71 -6.540 6.484 7.394 1.00 35.24 C ATOM 1209 C ILE A 71 -6.414 8.009 7.619 1.00 52.15 C ATOM 1210 O ILE A 71 -5.753 8.448 8.561 1.00 2.34 O ATOM 1211 CB ILE A 71 -5.306 5.949 6.554 1.00 44.34 C ATOM 1212 CG1 ILE A 71 -5.362 4.395 6.395 1.00 22.12 C ATOM 1213 CG2 ILE A 71 -3.957 6.372 7.192 1.00 33.43 C ATOM 1214 CD1 ILE A 71 -4.362 3.811 5.400 1.00 52.41 C ATOM 0 H ILE A 71 -7.760 5.839 5.789 1.00 33.01 H new ATOM 0 HA ILE A 71 -6.519 5.961 8.350 1.00 35.24 H new ATOM 0 HB ILE A 71 -5.372 6.402 5.565 1.00 44.34 H new ATOM 0 HG12 ILE A 71 -5.190 3.939 7.370 1.00 22.12 H new ATOM 0 HG13 ILE A 71 -6.368 4.113 6.084 1.00 22.12 H new ATOM 0 HG21 ILE A 71 -3.134 5.988 6.590 1.00 33.43 H new ATOM 0 HG22 ILE A 71 -3.900 7.460 7.234 1.00 33.43 H new ATOM 0 HG23 ILE A 71 -3.889 5.966 8.201 1.00 33.43 H new ATOM 0 HD11 ILE A 71 -4.479 2.728 5.360 1.00 52.41 H new ATOM 0 HD12 ILE A 71 -4.544 4.232 4.411 1.00 52.41 H new ATOM 0 HD13 ILE A 71 -3.348 4.055 5.717 1.00 52.41 H new ATOM 1226 N SER A 72 -7.089 8.794 6.752 1.00 10.41 N ATOM 1227 CA SER A 72 -7.183 10.260 6.864 1.00 31.35 C ATOM 1228 C SER A 72 -7.862 10.670 8.185 1.00 72.33 C ATOM 1229 O SER A 72 -7.512 11.696 8.779 1.00 3.01 O ATOM 1230 CB SER A 72 -7.961 10.816 5.646 1.00 50.33 C ATOM 1231 OG SER A 72 -8.220 12.211 5.757 1.00 74.14 O ATOM 0 H SER A 72 -7.589 8.420 5.946 1.00 10.41 H new ATOM 0 HA SER A 72 -6.178 10.683 6.870 1.00 31.35 H new ATOM 0 HB2 SER A 72 -7.390 10.627 4.737 1.00 50.33 H new ATOM 0 HB3 SER A 72 -8.905 10.281 5.547 1.00 50.33 H new ATOM 0 HG SER A 72 -8.711 12.517 4.966 1.00 74.14 H new ATOM 1237 N LYS A 73 -8.826 9.843 8.637 1.00 43.01 N ATOM 1238 CA LYS A 73 -9.541 10.053 9.911 1.00 35.51 C ATOM 1239 C LYS A 73 -8.637 9.710 11.118 1.00 43.42 C ATOM 1240 O LYS A 73 -8.843 10.217 12.224 1.00 40.35 O ATOM 1241 CB LYS A 73 -10.830 9.189 9.935 1.00 44.45 C ATOM 1242 CG LYS A 73 -11.787 9.468 8.755 1.00 45.32 C ATOM 1243 CD LYS A 73 -13.073 8.612 8.815 1.00 74.40 C ATOM 1244 CE LYS A 73 -14.049 8.946 7.681 1.00 34.50 C ATOM 1245 NZ LYS A 73 -15.338 8.221 7.818 1.00 14.44 N ATOM 0 H LYS A 73 -9.130 9.012 8.130 1.00 43.01 H new ATOM 0 HA LYS A 73 -9.814 11.106 9.988 1.00 35.51 H new ATOM 0 HB2 LYS A 73 -10.551 8.135 9.923 1.00 44.45 H new ATOM 0 HB3 LYS A 73 -11.359 9.368 10.871 1.00 44.45 H new ATOM 0 HG2 LYS A 73 -12.058 10.524 8.754 1.00 45.32 H new ATOM 0 HG3 LYS A 73 -11.268 9.271 7.817 1.00 45.32 H new ATOM 0 HD2 LYS A 73 -12.807 7.556 8.763 1.00 74.40 H new ATOM 0 HD3 LYS A 73 -13.567 8.769 9.774 1.00 74.40 H new ATOM 0 HE2 LYS A 73 -14.237 10.020 7.671 1.00 34.50 H new ATOM 0 HE3 LYS A 73 -13.592 8.693 6.724 1.00 34.50 H new ATOM 0 HZ1 LYS A 73 -15.966 8.478 7.030 1.00 14.44 H new ATOM 0 HZ2 LYS A 73 -15.163 7.196 7.802 1.00 14.44 H new ATOM 0 HZ3 LYS A 73 -15.789 8.481 8.719 1.00 14.44 H new ATOM 1259 N LEU A 74 -7.641 8.844 10.876 1.00 70.22 N ATOM 1260 CA LEU A 74 -6.699 8.355 11.902 1.00 22.11 C ATOM 1261 C LEU A 74 -5.446 9.267 12.008 1.00 13.13 C ATOM 1262 O LEU A 74 -4.880 9.426 13.096 1.00 50.42 O ATOM 1263 CB LEU A 74 -6.290 6.900 11.549 1.00 32.52 C ATOM 1264 CG LEU A 74 -7.434 5.833 11.580 1.00 75.40 C ATOM 1265 CD1 LEU A 74 -6.957 4.476 11.007 1.00 45.42 C ATOM 1266 CD2 LEU A 74 -7.996 5.668 13.012 1.00 41.34 C ATOM 0 H LEU A 74 -7.462 8.456 9.950 1.00 70.22 H new ATOM 0 HA LEU A 74 -7.191 8.377 12.874 1.00 22.11 H new ATOM 0 HB2 LEU A 74 -5.849 6.901 10.552 1.00 32.52 H new ATOM 0 HB3 LEU A 74 -5.510 6.586 12.242 1.00 32.52 H new ATOM 0 HG LEU A 74 -8.241 6.192 10.941 1.00 75.40 H new ATOM 0 HD11 LEU A 74 -7.776 3.758 11.043 1.00 45.42 H new ATOM 0 HD12 LEU A 74 -6.637 4.610 9.974 1.00 45.42 H new ATOM 0 HD13 LEU A 74 -6.122 4.104 11.600 1.00 45.42 H new ATOM 0 HD21 LEU A 74 -8.790 4.921 13.007 1.00 41.34 H new ATOM 0 HD22 LEU A 74 -7.198 5.346 13.681 1.00 41.34 H new ATOM 0 HD23 LEU A 74 -8.397 6.621 13.358 1.00 41.34 H new ATOM 1278 N GLY A 75 -5.024 9.857 10.868 1.00 54.20 N ATOM 1279 CA GLY A 75 -3.855 10.738 10.805 1.00 70.03 C ATOM 1280 C GLY A 75 -2.521 9.988 10.813 1.00 72.00 C ATOM 1281 O GLY A 75 -1.762 10.072 11.784 1.00 33.23 O ATOM 0 H GLY A 75 -5.490 9.731 9.970 1.00 54.20 H new ATOM 0 HA2 GLY A 75 -3.916 11.344 9.901 1.00 70.03 H new ATOM 0 HA3 GLY A 75 -3.882 11.424 11.652 1.00 70.03 H new ATOM 1285 N TYR A 76 -2.245 9.239 9.723 1.00 0.33 N ATOM 1286 CA TYR A 76 -0.950 8.523 9.527 1.00 1.13 C ATOM 1287 C TYR A 76 -0.311 8.929 8.186 1.00 73.02 C ATOM 1288 O TYR A 76 -1.024 9.209 7.208 1.00 24.42 O ATOM 1289 CB TYR A 76 -1.132 6.973 9.570 1.00 30.24 C ATOM 1290 CG TYR A 76 -1.754 6.431 10.871 1.00 24.22 C ATOM 1291 CD1 TYR A 76 -1.252 6.789 12.120 1.00 42.53 C ATOM 1292 CD2 TYR A 76 -2.843 5.563 10.842 1.00 21.12 C ATOM 1293 CE1 TYR A 76 -1.828 6.317 13.283 1.00 2.20 C ATOM 1294 CE2 TYR A 76 -3.408 5.081 12.002 1.00 13.42 C ATOM 1295 CZ TYR A 76 -2.905 5.467 13.214 1.00 3.01 C ATOM 1296 OH TYR A 76 -3.504 5.033 14.369 1.00 45.41 O ATOM 0 H TYR A 76 -2.904 9.110 8.955 1.00 0.33 H new ATOM 0 HA TYR A 76 -0.294 8.811 10.348 1.00 1.13 H new ATOM 0 HB2 TYR A 76 -1.759 6.672 8.731 1.00 30.24 H new ATOM 0 HB3 TYR A 76 -0.159 6.503 9.426 1.00 30.24 H new ATOM 0 HD1 TYR A 76 -0.398 7.447 12.180 1.00 42.53 H new ATOM 0 HD2 TYR A 76 -3.253 5.261 9.890 1.00 21.12 H new ATOM 0 HE1 TYR A 76 -1.433 6.615 14.243 1.00 2.20 H new ATOM 0 HE2 TYR A 76 -4.245 4.401 11.955 1.00 13.42 H new ATOM 0 HH TYR A 76 -4.251 4.439 14.147 1.00 45.41 H new ATOM 1306 N LYS A 77 1.042 8.968 8.156 1.00 54.24 N ATOM 1307 CA LYS A 77 1.805 9.199 6.921 1.00 62.15 C ATOM 1308 C LYS A 77 1.882 7.884 6.129 1.00 35.55 C ATOM 1309 O LYS A 77 2.557 6.925 6.546 1.00 20.01 O ATOM 1310 CB LYS A 77 3.228 9.759 7.209 1.00 41.25 C ATOM 1311 CG LYS A 77 4.084 10.015 5.934 1.00 42.22 C ATOM 1312 CD LYS A 77 3.400 10.973 4.925 1.00 43.01 C ATOM 1313 CE LYS A 77 4.241 11.215 3.661 1.00 20.00 C ATOM 1314 NZ LYS A 77 5.527 11.896 3.972 1.00 10.11 N ATOM 0 H LYS A 77 1.625 8.841 8.983 1.00 54.24 H new ATOM 0 HA LYS A 77 1.289 9.956 6.330 1.00 62.15 H new ATOM 0 HB2 LYS A 77 3.133 10.693 7.763 1.00 41.25 H new ATOM 0 HB3 LYS A 77 3.758 9.058 7.854 1.00 41.25 H new ATOM 0 HG2 LYS A 77 5.047 10.433 6.228 1.00 42.22 H new ATOM 0 HG3 LYS A 77 4.287 9.063 5.442 1.00 42.22 H new ATOM 0 HD2 LYS A 77 2.433 10.559 4.638 1.00 43.01 H new ATOM 0 HD3 LYS A 77 3.206 11.928 5.414 1.00 43.01 H new ATOM 0 HE2 LYS A 77 4.444 10.262 3.172 1.00 20.00 H new ATOM 0 HE3 LYS A 77 3.671 11.820 2.956 1.00 20.00 H new ATOM 0 HZ1 LYS A 77 5.825 12.465 3.154 1.00 10.11 H new ATOM 0 HZ2 LYS A 77 5.401 12.516 4.798 1.00 10.11 H new ATOM 0 HZ3 LYS A 77 6.255 11.184 4.182 1.00 10.11 H new ATOM 1328 N VAL A 78 1.146 7.850 5.010 1.00 61.54 N ATOM 1329 CA VAL A 78 1.059 6.682 4.133 1.00 13.31 C ATOM 1330 C VAL A 78 2.040 6.814 2.963 1.00 32.42 C ATOM 1331 O VAL A 78 2.186 7.895 2.371 1.00 4.43 O ATOM 1332 CB VAL A 78 -0.395 6.486 3.570 1.00 72.32 C ATOM 1333 CG1 VAL A 78 -0.502 5.192 2.729 1.00 70.43 C ATOM 1334 CG2 VAL A 78 -1.428 6.482 4.714 1.00 42.53 C ATOM 0 H VAL A 78 0.590 8.642 4.688 1.00 61.54 H new ATOM 0 HA VAL A 78 1.318 5.810 4.733 1.00 13.31 H new ATOM 0 HB VAL A 78 -0.614 7.328 2.914 1.00 72.32 H new ATOM 0 HG11 VAL A 78 -1.520 5.085 2.354 1.00 70.43 H new ATOM 0 HG12 VAL A 78 0.191 5.246 1.889 1.00 70.43 H new ATOM 0 HG13 VAL A 78 -0.252 4.332 3.351 1.00 70.43 H new ATOM 0 HG21 VAL A 78 -2.427 6.345 4.301 1.00 42.53 H new ATOM 0 HG22 VAL A 78 -1.205 5.667 5.403 1.00 42.53 H new ATOM 0 HG23 VAL A 78 -1.383 7.431 5.248 1.00 42.53 H new ATOM 1344 N PHE A 79 2.710 5.701 2.653 1.00 64.30 N ATOM 1345 CA PHE A 79 3.538 5.554 1.459 1.00 4.14 C ATOM 1346 C PHE A 79 2.828 4.560 0.540 1.00 4.44 C ATOM 1347 O PHE A 79 2.702 3.383 0.885 1.00 42.44 O ATOM 1348 CB PHE A 79 4.933 5.025 1.856 1.00 72.44 C ATOM 1349 CG PHE A 79 5.749 5.990 2.713 1.00 51.32 C ATOM 1350 CD1 PHE A 79 5.530 6.093 4.087 1.00 12.22 C ATOM 1351 CD2 PHE A 79 6.728 6.799 2.140 1.00 71.11 C ATOM 1352 CE1 PHE A 79 6.265 6.970 4.851 1.00 2.03 C ATOM 1353 CE2 PHE A 79 7.461 7.673 2.909 1.00 0.51 C ATOM 1354 CZ PHE A 79 7.230 7.759 4.261 1.00 63.33 C ATOM 0 H PHE A 79 2.690 4.864 3.236 1.00 64.30 H new ATOM 0 HA PHE A 79 3.675 6.509 0.952 1.00 4.14 H new ATOM 0 HB2 PHE A 79 4.812 4.088 2.399 1.00 72.44 H new ATOM 0 HB3 PHE A 79 5.494 4.798 0.950 1.00 72.44 H new ATOM 0 HD1 PHE A 79 4.776 5.478 4.556 1.00 12.22 H new ATOM 0 HD2 PHE A 79 6.914 6.739 1.078 1.00 71.11 H new ATOM 0 HE1 PHE A 79 6.086 7.041 5.914 1.00 2.03 H new ATOM 0 HE2 PHE A 79 8.218 8.292 2.450 1.00 0.51 H new ATOM 0 HZ PHE A 79 7.806 8.446 4.863 1.00 63.33 H new ATOM 1364 N LEU A 80 2.367 5.029 -0.622 1.00 42.12 N ATOM 1365 CA LEU A 80 1.549 4.225 -1.540 1.00 63.13 C ATOM 1366 C LEU A 80 2.378 3.755 -2.741 1.00 72.14 C ATOM 1367 O LEU A 80 3.057 4.550 -3.393 1.00 74.24 O ATOM 1368 CB LEU A 80 0.304 5.026 -2.008 1.00 25.02 C ATOM 1369 CG LEU A 80 -0.665 4.273 -2.989 1.00 65.34 C ATOM 1370 CD1 LEU A 80 -1.135 2.924 -2.418 1.00 61.04 C ATOM 1371 CD2 LEU A 80 -1.868 5.151 -3.368 1.00 30.04 C ATOM 0 H LEU A 80 2.549 5.976 -0.955 1.00 42.12 H new ATOM 0 HA LEU A 80 1.204 3.342 -1.003 1.00 63.13 H new ATOM 0 HB2 LEU A 80 -0.263 5.327 -1.127 1.00 25.02 H new ATOM 0 HB3 LEU A 80 0.645 5.940 -2.495 1.00 25.02 H new ATOM 0 HG LEU A 80 -0.095 4.063 -3.894 1.00 65.34 H new ATOM 0 HD11 LEU A 80 -1.803 2.440 -3.131 1.00 61.04 H new ATOM 0 HD12 LEU A 80 -0.271 2.284 -2.238 1.00 61.04 H new ATOM 0 HD13 LEU A 80 -1.665 3.091 -1.480 1.00 61.04 H new ATOM 0 HD21 LEU A 80 -2.520 4.602 -4.048 1.00 30.04 H new ATOM 0 HD22 LEU A 80 -2.423 5.416 -2.468 1.00 30.04 H new ATOM 0 HD23 LEU A 80 -1.516 6.059 -3.858 1.00 30.04 H new ATOM 1383 N LEU A 81 2.315 2.444 -3.000 1.00 21.31 N ATOM 1384 CA LEU A 81 2.880 1.809 -4.184 1.00 72.12 C ATOM 1385 C LEU A 81 1.734 1.214 -5.001 1.00 60.30 C ATOM 1386 O LEU A 81 1.065 0.284 -4.553 1.00 54.21 O ATOM 1387 CB LEU A 81 3.884 0.693 -3.782 1.00 1.32 C ATOM 1388 CG LEU A 81 4.617 -0.024 -4.968 1.00 20.34 C ATOM 1389 CD1 LEU A 81 5.289 0.997 -5.910 1.00 12.33 C ATOM 1390 CD2 LEU A 81 5.632 -1.064 -4.445 1.00 62.15 C ATOM 0 H LEU A 81 1.857 1.783 -2.373 1.00 21.31 H new ATOM 0 HA LEU A 81 3.421 2.548 -4.774 1.00 72.12 H new ATOM 0 HB2 LEU A 81 4.637 1.127 -3.124 1.00 1.32 H new ATOM 0 HB3 LEU A 81 3.349 -0.059 -3.202 1.00 1.32 H new ATOM 0 HG LEU A 81 3.866 -0.559 -5.550 1.00 20.34 H new ATOM 0 HD11 LEU A 81 5.789 0.469 -6.722 1.00 12.33 H new ATOM 0 HD12 LEU A 81 4.532 1.664 -6.323 1.00 12.33 H new ATOM 0 HD13 LEU A 81 6.021 1.580 -5.352 1.00 12.33 H new ATOM 0 HD21 LEU A 81 6.126 -1.546 -5.288 1.00 62.15 H new ATOM 0 HD22 LEU A 81 6.377 -0.565 -3.825 1.00 62.15 H new ATOM 0 HD23 LEU A 81 5.110 -1.815 -3.852 1.00 62.15 H new ATOM 1402 N LEU A 82 1.495 1.777 -6.179 1.00 20.21 N ATOM 1403 CA LEU A 82 0.512 1.258 -7.123 1.00 41.10 C ATOM 1404 C LEU A 82 1.236 0.424 -8.182 1.00 40.30 C ATOM 1405 O LEU A 82 2.045 0.949 -8.954 1.00 52.04 O ATOM 1406 CB LEU A 82 -0.264 2.427 -7.781 1.00 4.13 C ATOM 1407 CG LEU A 82 -1.187 3.259 -6.846 1.00 32.32 C ATOM 1408 CD1 LEU A 82 -1.878 4.398 -7.616 1.00 22.44 C ATOM 1409 CD2 LEU A 82 -2.220 2.358 -6.145 1.00 3.10 C ATOM 0 H LEU A 82 1.980 2.611 -6.509 1.00 20.21 H new ATOM 0 HA LEU A 82 -0.208 0.629 -6.600 1.00 41.10 H new ATOM 0 HB2 LEU A 82 0.459 3.103 -8.237 1.00 4.13 H new ATOM 0 HB3 LEU A 82 -0.873 2.021 -8.589 1.00 4.13 H new ATOM 0 HG LEU A 82 -0.561 3.711 -6.077 1.00 32.32 H new ATOM 0 HD11 LEU A 82 -2.517 4.962 -6.936 1.00 22.44 H new ATOM 0 HD12 LEU A 82 -1.124 5.061 -8.039 1.00 22.44 H new ATOM 0 HD13 LEU A 82 -2.484 3.979 -8.419 1.00 22.44 H new ATOM 0 HD21 LEU A 82 -2.852 2.965 -5.497 1.00 3.10 H new ATOM 0 HD22 LEU A 82 -2.838 1.862 -6.894 1.00 3.10 H new ATOM 0 HD23 LEU A 82 -1.702 1.608 -5.547 1.00 3.10 H new ATOM 1421 N GLN A 83 0.975 -0.886 -8.178 1.00 32.30 N ATOM 1422 CA GLN A 83 1.439 -1.805 -9.220 1.00 5.14 C ATOM 1423 C GLN A 83 0.253 -2.099 -10.134 1.00 74.24 C ATOM 1424 O GLN A 83 -0.764 -2.621 -9.672 1.00 65.13 O ATOM 1425 CB GLN A 83 1.988 -3.127 -8.612 1.00 61.30 C ATOM 1426 CG GLN A 83 2.649 -4.073 -9.647 1.00 34.15 C ATOM 1427 CD GLN A 83 3.066 -5.429 -9.075 1.00 62.14 C ATOM 1428 OE1 GLN A 83 3.358 -5.558 -7.885 1.00 14.53 O ATOM 1429 NE2 GLN A 83 3.115 -6.447 -9.926 1.00 70.25 N ATOM 0 H GLN A 83 0.431 -1.342 -7.445 1.00 32.30 H new ATOM 0 HA GLN A 83 2.257 -1.347 -9.776 1.00 5.14 H new ATOM 0 HB2 GLN A 83 2.718 -2.884 -7.840 1.00 61.30 H new ATOM 0 HB3 GLN A 83 1.171 -3.656 -8.122 1.00 61.30 H new ATOM 0 HG2 GLN A 83 1.954 -4.236 -10.470 1.00 34.15 H new ATOM 0 HG3 GLN A 83 3.527 -3.581 -10.064 1.00 34.15 H new ATOM 0 HE21 GLN A 83 2.867 -6.306 -10.905 1.00 70.25 H new ATOM 0 HE22 GLN A 83 3.401 -7.370 -9.601 1.00 70.25 H new ATOM 1438 N ASP A 84 0.362 -1.709 -11.408 1.00 14.40 N ATOM 1439 CA ASP A 84 -0.673 -1.978 -12.422 1.00 3.32 C ATOM 1440 C ASP A 84 -0.020 -1.934 -13.808 1.00 72.22 C ATOM 1441 O ASP A 84 0.649 -0.962 -14.144 1.00 62.33 O ATOM 1442 CB ASP A 84 -1.829 -0.944 -12.301 1.00 53.43 C ATOM 1443 CG ASP A 84 -3.024 -1.247 -13.219 1.00 13.12 C ATOM 1444 OD1 ASP A 84 -3.880 -2.079 -12.839 1.00 63.31 O ATOM 1445 OD2 ASP A 84 -3.099 -0.695 -14.334 1.00 21.41 O ATOM 0 H ASP A 84 1.168 -1.198 -11.769 1.00 14.40 H new ATOM 0 HA ASP A 84 -1.107 -2.965 -12.266 1.00 3.32 H new ATOM 0 HB2 ASP A 84 -2.174 -0.916 -11.267 1.00 53.43 H new ATOM 0 HB3 ASP A 84 -1.444 0.048 -12.536 1.00 53.43 H new ATOM 1450 N GLN A 85 -0.218 -2.988 -14.607 1.00 55.44 N ATOM 1451 CA GLN A 85 0.501 -3.173 -15.890 1.00 20.11 C ATOM 1452 C GLN A 85 -0.076 -2.310 -17.033 1.00 31.30 C ATOM 1453 O GLN A 85 0.581 -2.128 -18.069 1.00 64.31 O ATOM 1454 CB GLN A 85 0.485 -4.671 -16.278 1.00 23.34 C ATOM 1455 CG GLN A 85 1.196 -5.592 -15.262 1.00 34.32 C ATOM 1456 CD GLN A 85 1.136 -7.080 -15.626 1.00 11.52 C ATOM 1457 OE1 GLN A 85 1.068 -7.444 -16.799 1.00 51.51 O ATOM 1458 NE2 GLN A 85 1.184 -7.956 -14.630 1.00 74.55 N ATOM 0 H GLN A 85 -0.875 -3.738 -14.392 1.00 55.44 H new ATOM 0 HA GLN A 85 1.527 -2.837 -15.742 1.00 20.11 H new ATOM 0 HB2 GLN A 85 -0.550 -4.997 -16.386 1.00 23.34 H new ATOM 0 HB3 GLN A 85 0.959 -4.788 -17.253 1.00 23.34 H new ATOM 0 HG2 GLN A 85 2.240 -5.290 -15.181 1.00 34.32 H new ATOM 0 HG3 GLN A 85 0.745 -5.450 -14.280 1.00 34.32 H new ATOM 0 HE21 GLN A 85 1.240 -7.629 -13.665 1.00 74.55 H new ATOM 0 HE22 GLN A 85 1.165 -8.956 -14.829 1.00 74.55 H new ATOM 1467 N ASP A 86 -1.299 -1.791 -16.843 1.00 52.44 N ATOM 1468 CA ASP A 86 -1.963 -0.911 -17.817 1.00 45.20 C ATOM 1469 C ASP A 86 -1.724 0.534 -17.371 1.00 3.54 C ATOM 1470 O ASP A 86 -2.483 1.078 -16.569 1.00 65.10 O ATOM 1471 CB ASP A 86 -3.484 -1.234 -17.912 1.00 15.41 C ATOM 1472 CG ASP A 86 -3.760 -2.699 -18.287 1.00 34.22 C ATOM 1473 OD1 ASP A 86 -3.655 -3.047 -19.477 1.00 43.42 O ATOM 1474 OD2 ASP A 86 -4.059 -3.517 -17.388 1.00 64.13 O ATOM 0 H ASP A 86 -1.856 -1.970 -16.008 1.00 52.44 H new ATOM 0 HA ASP A 86 -1.551 -1.065 -18.814 1.00 45.20 H new ATOM 0 HB2 ASP A 86 -3.958 -1.013 -16.956 1.00 15.41 H new ATOM 0 HB3 ASP A 86 -3.944 -0.581 -18.654 1.00 15.41 H new ATOM 1479 N GLU A 87 -0.632 1.135 -17.881 1.00 24.55 N ATOM 1480 CA GLU A 87 -0.098 2.414 -17.369 1.00 0.44 C ATOM 1481 C GLU A 87 -1.036 3.613 -17.577 1.00 43.30 C ATOM 1482 O GLU A 87 -0.808 4.653 -16.966 1.00 43.12 O ATOM 1483 CB GLU A 87 1.286 2.718 -17.976 1.00 2.40 C ATOM 1484 CG GLU A 87 2.358 1.670 -17.632 1.00 72.44 C ATOM 1485 CD GLU A 87 3.766 2.095 -18.068 1.00 75.41 C ATOM 1486 OE1 GLU A 87 4.153 1.814 -19.223 1.00 22.21 O ATOM 1487 OE2 GLU A 87 4.484 2.733 -17.262 1.00 62.40 O ATOM 0 H GLU A 87 -0.095 0.749 -18.658 1.00 24.55 H new ATOM 0 HA GLU A 87 -0.007 2.276 -16.292 1.00 0.44 H new ATOM 0 HB2 GLU A 87 1.191 2.784 -19.060 1.00 2.40 H new ATOM 0 HB3 GLU A 87 1.620 3.694 -17.625 1.00 2.40 H new ATOM 0 HG2 GLU A 87 2.354 1.492 -16.557 1.00 72.44 H new ATOM 0 HG3 GLU A 87 2.103 0.725 -18.112 1.00 72.44 H new ATOM 1494 N ASN A 88 -2.060 3.475 -18.441 1.00 65.20 N ATOM 1495 CA ASN A 88 -3.117 4.497 -18.587 1.00 51.10 C ATOM 1496 C ASN A 88 -3.949 4.542 -17.301 1.00 14.15 C ATOM 1497 O ASN A 88 -4.105 5.605 -16.695 1.00 3.24 O ATOM 1498 CB ASN A 88 -4.023 4.224 -19.823 1.00 31.41 C ATOM 1499 CG ASN A 88 -3.307 4.411 -21.161 1.00 53.01 C ATOM 1500 OD1 ASN A 88 -2.098 4.232 -21.272 1.00 55.12 O ATOM 1501 ND2 ASN A 88 -4.053 4.768 -22.189 1.00 62.11 N ATOM 0 H ASN A 88 -2.179 2.665 -19.050 1.00 65.20 H new ATOM 0 HA ASN A 88 -2.644 5.465 -18.753 1.00 51.10 H new ATOM 0 HB2 ASN A 88 -4.405 3.205 -19.765 1.00 31.41 H new ATOM 0 HB3 ASN A 88 -4.885 4.890 -19.785 1.00 31.41 H new ATOM 0 HD21 ASN A 88 -3.627 4.902 -23.106 1.00 62.11 H new ATOM 0 HD22 ASN A 88 -5.056 4.910 -22.067 1.00 62.11 H new ATOM 1508 N GLU A 89 -4.394 3.351 -16.856 1.00 43.15 N ATOM 1509 CA GLU A 89 -5.216 3.200 -15.645 1.00 31.22 C ATOM 1510 C GLU A 89 -4.380 3.564 -14.405 1.00 65.42 C ATOM 1511 O GLU A 89 -4.837 4.301 -13.528 1.00 3.54 O ATOM 1512 CB GLU A 89 -5.748 1.739 -15.514 1.00 42.14 C ATOM 1513 CG GLU A 89 -6.427 1.164 -16.775 1.00 42.12 C ATOM 1514 CD GLU A 89 -7.587 2.022 -17.312 1.00 23.54 C ATOM 1515 OE1 GLU A 89 -8.633 2.122 -16.633 1.00 35.51 O ATOM 1516 OE2 GLU A 89 -7.466 2.588 -18.422 1.00 11.44 O ATOM 0 H GLU A 89 -4.193 2.469 -17.327 1.00 43.15 H new ATOM 0 HA GLU A 89 -6.071 3.871 -15.720 1.00 31.22 H new ATOM 0 HB2 GLU A 89 -4.915 1.090 -15.243 1.00 42.14 H new ATOM 0 HB3 GLU A 89 -6.461 1.703 -14.690 1.00 42.14 H new ATOM 0 HG2 GLU A 89 -5.678 1.053 -17.559 1.00 42.12 H new ATOM 0 HG3 GLU A 89 -6.802 0.166 -16.549 1.00 42.12 H new ATOM 1523 N LEU A 90 -3.140 3.030 -14.387 1.00 21.14 N ATOM 1524 CA LEU A 90 -2.152 3.249 -13.323 1.00 34.35 C ATOM 1525 C LEU A 90 -1.845 4.744 -13.125 1.00 43.23 C ATOM 1526 O LEU A 90 -1.768 5.212 -11.986 1.00 32.20 O ATOM 1527 CB LEU A 90 -0.849 2.469 -13.668 1.00 65.02 C ATOM 1528 CG LEU A 90 0.349 2.640 -12.681 1.00 31.10 C ATOM 1529 CD1 LEU A 90 -0.053 2.294 -11.241 1.00 22.22 C ATOM 1530 CD2 LEU A 90 1.577 1.816 -13.129 1.00 25.23 C ATOM 0 H LEU A 90 -2.796 2.422 -15.131 1.00 21.14 H new ATOM 0 HA LEU A 90 -2.569 2.880 -12.386 1.00 34.35 H new ATOM 0 HB2 LEU A 90 -1.092 1.408 -13.728 1.00 65.02 H new ATOM 0 HB3 LEU A 90 -0.520 2.777 -14.660 1.00 65.02 H new ATOM 0 HG LEU A 90 0.633 3.692 -12.701 1.00 31.10 H new ATOM 0 HD11 LEU A 90 0.806 2.424 -10.582 1.00 22.22 H new ATOM 0 HD12 LEU A 90 -0.860 2.953 -10.920 1.00 22.22 H new ATOM 0 HD13 LEU A 90 -0.391 1.259 -11.196 1.00 22.22 H new ATOM 0 HD21 LEU A 90 2.391 1.960 -12.418 1.00 25.23 H new ATOM 0 HD22 LEU A 90 1.312 0.759 -13.168 1.00 25.23 H new ATOM 0 HD23 LEU A 90 1.896 2.147 -14.117 1.00 25.23 H new ATOM 1542 N GLU A 91 -1.686 5.480 -14.246 1.00 4.43 N ATOM 1543 CA GLU A 91 -1.316 6.903 -14.229 1.00 44.54 C ATOM 1544 C GLU A 91 -2.447 7.748 -13.623 1.00 21.33 C ATOM 1545 O GLU A 91 -2.209 8.538 -12.703 1.00 10.12 O ATOM 1546 CB GLU A 91 -0.997 7.404 -15.663 1.00 74.25 C ATOM 1547 CG GLU A 91 -0.465 8.851 -15.742 1.00 20.21 C ATOM 1548 CD GLU A 91 0.913 9.028 -15.076 1.00 52.32 C ATOM 1549 OE1 GLU A 91 1.946 8.810 -15.750 1.00 61.31 O ATOM 1550 OE2 GLU A 91 0.971 9.347 -13.869 1.00 64.23 O ATOM 0 H GLU A 91 -1.811 5.101 -15.185 1.00 4.43 H new ATOM 0 HA GLU A 91 -0.424 7.011 -13.612 1.00 44.54 H new ATOM 0 HB2 GLU A 91 -0.260 6.736 -16.110 1.00 74.25 H new ATOM 0 HB3 GLU A 91 -1.901 7.331 -16.267 1.00 74.25 H new ATOM 0 HG2 GLU A 91 -0.397 9.150 -16.788 1.00 20.21 H new ATOM 0 HG3 GLU A 91 -1.181 9.521 -15.265 1.00 20.21 H new ATOM 1557 N GLU A 92 -3.673 7.548 -14.160 1.00 54.31 N ATOM 1558 CA GLU A 92 -4.889 8.270 -13.732 1.00 23.32 C ATOM 1559 C GLU A 92 -5.165 8.053 -12.236 1.00 41.10 C ATOM 1560 O GLU A 92 -5.402 9.010 -11.500 1.00 4.12 O ATOM 1561 CB GLU A 92 -6.103 7.824 -14.589 1.00 20.22 C ATOM 1562 CG GLU A 92 -5.924 8.103 -16.094 1.00 53.50 C ATOM 1563 CD GLU A 92 -7.119 7.665 -16.949 1.00 52.21 C ATOM 1564 OE1 GLU A 92 -7.145 6.502 -17.396 1.00 64.32 O ATOM 1565 OE2 GLU A 92 -8.041 8.492 -17.171 1.00 43.41 O ATOM 0 H GLU A 92 -3.845 6.876 -14.908 1.00 54.31 H new ATOM 0 HA GLU A 92 -4.727 9.337 -13.885 1.00 23.32 H new ATOM 0 HB2 GLU A 92 -6.270 6.757 -14.442 1.00 20.22 H new ATOM 0 HB3 GLU A 92 -6.997 8.338 -14.235 1.00 20.22 H new ATOM 0 HG2 GLU A 92 -5.757 9.170 -16.239 1.00 53.50 H new ATOM 0 HG3 GLU A 92 -5.029 7.589 -16.446 1.00 53.50 H new ATOM 1572 N PHE A 93 -5.065 6.790 -11.800 1.00 61.34 N ATOM 1573 CA PHE A 93 -5.320 6.399 -10.407 1.00 2.13 C ATOM 1574 C PHE A 93 -4.261 7.021 -9.459 1.00 3.21 C ATOM 1575 O PHE A 93 -4.595 7.468 -8.361 1.00 13.22 O ATOM 1576 CB PHE A 93 -5.356 4.846 -10.299 1.00 71.55 C ATOM 1577 CG PHE A 93 -5.939 4.320 -8.988 1.00 52.24 C ATOM 1578 CD1 PHE A 93 -7.214 4.717 -8.575 1.00 32.20 C ATOM 1579 CD2 PHE A 93 -5.231 3.434 -8.181 1.00 74.21 C ATOM 1580 CE1 PHE A 93 -7.751 4.248 -7.396 1.00 3.11 C ATOM 1581 CE2 PHE A 93 -5.772 2.969 -7.000 1.00 40.25 C ATOM 1582 CZ PHE A 93 -7.030 3.378 -6.608 1.00 2.54 C ATOM 0 H PHE A 93 -4.805 6.010 -12.404 1.00 61.34 H new ATOM 0 HA PHE A 93 -6.291 6.784 -10.095 1.00 2.13 H new ATOM 0 HB2 PHE A 93 -5.941 4.449 -11.128 1.00 71.55 H new ATOM 0 HB3 PHE A 93 -4.342 4.462 -10.412 1.00 71.55 H new ATOM 0 HD1 PHE A 93 -7.785 5.399 -9.187 1.00 32.20 H new ATOM 0 HD2 PHE A 93 -4.247 3.107 -8.483 1.00 74.21 H new ATOM 0 HE1 PHE A 93 -8.738 4.563 -7.089 1.00 3.11 H new ATOM 0 HE2 PHE A 93 -5.210 2.284 -6.382 1.00 40.25 H new ATOM 0 HZ PHE A 93 -7.450 3.015 -5.682 1.00 2.54 H new ATOM 1592 N LYS A 94 -2.998 7.086 -9.941 1.00 11.51 N ATOM 1593 CA LYS A 94 -1.847 7.636 -9.193 1.00 61.51 C ATOM 1594 C LYS A 94 -2.061 9.127 -8.896 1.00 45.22 C ATOM 1595 O LYS A 94 -2.036 9.538 -7.735 1.00 14.21 O ATOM 1596 CB LYS A 94 -0.531 7.389 -10.009 1.00 71.31 C ATOM 1597 CG LYS A 94 0.820 7.680 -9.284 1.00 4.21 C ATOM 1598 CD LYS A 94 1.262 9.169 -9.260 1.00 4.43 C ATOM 1599 CE LYS A 94 1.404 9.760 -10.671 1.00 72.13 C ATOM 1600 NZ LYS A 94 2.033 11.102 -10.658 1.00 55.21 N ATOM 0 H LYS A 94 -2.748 6.753 -10.872 1.00 11.51 H new ATOM 0 HA LYS A 94 -1.757 7.127 -8.233 1.00 61.51 H new ATOM 0 HB2 LYS A 94 -0.524 6.348 -10.333 1.00 71.31 H new ATOM 0 HB3 LYS A 94 -0.571 8.002 -10.909 1.00 71.31 H new ATOM 0 HG2 LYS A 94 0.744 7.326 -8.256 1.00 4.21 H new ATOM 0 HG3 LYS A 94 1.603 7.095 -9.765 1.00 4.21 H new ATOM 0 HD2 LYS A 94 0.534 9.752 -8.696 1.00 4.43 H new ATOM 0 HD3 LYS A 94 2.214 9.254 -8.736 1.00 4.43 H new ATOM 0 HE2 LYS A 94 2.002 9.087 -11.286 1.00 72.13 H new ATOM 0 HE3 LYS A 94 0.420 9.827 -11.135 1.00 72.13 H new ATOM 0 HZ1 LYS A 94 2.108 11.460 -11.632 1.00 55.21 H new ATOM 0 HZ2 LYS A 94 1.451 11.753 -10.094 1.00 55.21 H new ATOM 0 HZ3 LYS A 94 2.983 11.036 -10.240 1.00 55.21 H new ATOM 1614 N ARG A 95 -2.291 9.911 -9.967 1.00 20.11 N ATOM 1615 CA ARG A 95 -2.381 11.385 -9.896 1.00 2.24 C ATOM 1616 C ARG A 95 -3.631 11.866 -9.124 1.00 21.15 C ATOM 1617 O ARG A 95 -3.619 12.964 -8.564 1.00 15.41 O ATOM 1618 CB ARG A 95 -2.331 11.994 -11.327 1.00 20.32 C ATOM 1619 CG ARG A 95 -3.443 11.496 -12.273 1.00 65.22 C ATOM 1620 CD ARG A 95 -3.300 12.004 -13.720 1.00 23.04 C ATOM 1621 NE ARG A 95 -3.525 13.455 -13.835 1.00 53.24 N ATOM 1622 CZ ARG A 95 -3.886 14.092 -14.966 1.00 4.33 C ATOM 1623 NH1 ARG A 95 -4.070 13.424 -16.108 1.00 53.42 N ATOM 1624 NH2 ARG A 95 -4.081 15.403 -14.945 1.00 73.15 N ATOM 0 H ARG A 95 -2.420 9.541 -10.909 1.00 20.11 H new ATOM 0 HA ARG A 95 -1.519 11.740 -9.332 1.00 2.24 H new ATOM 0 HB2 ARG A 95 -2.397 13.079 -11.249 1.00 20.32 H new ATOM 0 HB3 ARG A 95 -1.363 11.765 -11.772 1.00 20.32 H new ATOM 0 HG2 ARG A 95 -3.442 10.406 -12.278 1.00 65.22 H new ATOM 0 HG3 ARG A 95 -4.410 11.812 -11.881 1.00 65.22 H new ATOM 0 HD2 ARG A 95 -2.303 11.764 -14.089 1.00 23.04 H new ATOM 0 HD3 ARG A 95 -4.010 11.478 -14.358 1.00 23.04 H new ATOM 0 HE ARG A 95 -3.398 14.020 -12.995 1.00 53.24 H new ATOM 0 HH11 ARG A 95 -3.937 12.413 -16.135 1.00 53.42 H new ATOM 0 HH12 ARG A 95 -4.343 13.925 -16.953 1.00 53.42 H new ATOM 0 HH21 ARG A 95 -3.958 15.923 -14.076 1.00 73.15 H new ATOM 0 HH22 ARG A 95 -4.354 15.892 -15.798 1.00 73.15 H new ATOM 1638 N LYS A 96 -4.695 11.027 -9.095 1.00 34.42 N ATOM 1639 CA LYS A 96 -5.927 11.305 -8.322 1.00 64.22 C ATOM 1640 C LYS A 96 -5.639 11.249 -6.808 1.00 11.55 C ATOM 1641 O LYS A 96 -6.020 12.158 -6.062 1.00 52.40 O ATOM 1642 CB LYS A 96 -7.081 10.305 -8.715 1.00 23.35 C ATOM 1643 CG LYS A 96 -8.116 10.866 -9.724 1.00 24.33 C ATOM 1644 CD LYS A 96 -7.510 11.245 -11.094 1.00 63.43 C ATOM 1645 CE LYS A 96 -8.527 11.898 -12.043 1.00 10.30 C ATOM 1646 NZ LYS A 96 -9.694 11.021 -12.314 1.00 4.22 N ATOM 0 H LYS A 96 -4.722 10.144 -9.604 1.00 34.42 H new ATOM 0 HA LYS A 96 -6.264 12.312 -8.569 1.00 64.22 H new ATOM 0 HB2 LYS A 96 -6.634 9.405 -9.138 1.00 23.35 H new ATOM 0 HB3 LYS A 96 -7.606 10.004 -7.808 1.00 23.35 H new ATOM 0 HG2 LYS A 96 -8.900 10.124 -9.877 1.00 24.33 H new ATOM 0 HG3 LYS A 96 -8.591 11.747 -9.291 1.00 24.33 H new ATOM 0 HD2 LYS A 96 -6.676 11.929 -10.939 1.00 63.43 H new ATOM 0 HD3 LYS A 96 -7.105 10.350 -11.566 1.00 63.43 H new ATOM 0 HE2 LYS A 96 -8.874 12.836 -11.609 1.00 10.30 H new ATOM 0 HE3 LYS A 96 -8.035 12.145 -12.984 1.00 10.30 H new ATOM 0 HZ1 LYS A 96 -10.317 11.477 -13.011 1.00 4.22 H new ATOM 0 HZ2 LYS A 96 -9.363 10.109 -12.690 1.00 4.22 H new ATOM 0 HZ3 LYS A 96 -10.221 10.861 -11.431 1.00 4.22 H new ATOM 1660 N ILE A 97 -4.955 10.177 -6.381 1.00 52.13 N ATOM 1661 CA ILE A 97 -4.624 9.925 -4.958 1.00 22.55 C ATOM 1662 C ILE A 97 -3.472 10.841 -4.487 1.00 24.05 C ATOM 1663 O ILE A 97 -3.388 11.214 -3.306 1.00 34.32 O ATOM 1664 CB ILE A 97 -4.239 8.424 -4.742 1.00 10.34 C ATOM 1665 CG1 ILE A 97 -5.385 7.496 -5.248 1.00 51.10 C ATOM 1666 CG2 ILE A 97 -3.904 8.138 -3.259 1.00 64.51 C ATOM 1667 CD1 ILE A 97 -4.999 6.042 -5.343 1.00 71.25 C ATOM 0 H ILE A 97 -4.611 9.453 -7.011 1.00 52.13 H new ATOM 0 HA ILE A 97 -5.509 10.151 -4.363 1.00 22.55 H new ATOM 0 HB ILE A 97 -3.342 8.214 -5.324 1.00 10.34 H new ATOM 0 HG12 ILE A 97 -6.239 7.592 -4.577 1.00 51.10 H new ATOM 0 HG13 ILE A 97 -5.711 7.840 -6.230 1.00 51.10 H new ATOM 0 HG21 ILE A 97 -3.641 7.087 -3.142 1.00 64.51 H new ATOM 0 HG22 ILE A 97 -3.064 8.759 -2.949 1.00 64.51 H new ATOM 0 HG23 ILE A 97 -4.771 8.366 -2.640 1.00 64.51 H new ATOM 0 HD11 ILE A 97 -5.849 5.462 -5.702 1.00 71.25 H new ATOM 0 HD12 ILE A 97 -4.166 5.931 -6.037 1.00 71.25 H new ATOM 0 HD13 ILE A 97 -4.702 5.679 -4.359 1.00 71.25 H new ATOM 1679 N GLU A 98 -2.606 11.204 -5.442 1.00 14.51 N ATOM 1680 CA GLU A 98 -1.505 12.153 -5.231 1.00 1.04 C ATOM 1681 C GLU A 98 -2.132 13.520 -4.880 1.00 55.51 C ATOM 1682 O GLU A 98 -1.687 14.199 -3.958 1.00 32.33 O ATOM 1683 CB GLU A 98 -0.622 12.201 -6.527 1.00 13.21 C ATOM 1684 CG GLU A 98 0.857 12.624 -6.348 1.00 31.34 C ATOM 1685 CD GLU A 98 1.058 14.083 -5.895 1.00 73.23 C ATOM 1686 OE1 GLU A 98 0.581 15.002 -6.595 1.00 41.03 O ATOM 1687 OE2 GLU A 98 1.681 14.320 -4.839 1.00 15.33 O ATOM 0 H GLU A 98 -2.651 10.842 -6.395 1.00 14.51 H new ATOM 0 HA GLU A 98 -0.851 11.855 -4.412 1.00 1.04 H new ATOM 0 HB2 GLU A 98 -0.640 11.213 -6.987 1.00 13.21 H new ATOM 0 HB3 GLU A 98 -1.089 12.889 -7.231 1.00 13.21 H new ATOM 0 HG2 GLU A 98 1.324 11.963 -5.618 1.00 31.34 H new ATOM 0 HG3 GLU A 98 1.380 12.476 -7.293 1.00 31.34 H new ATOM 1694 N SER A 99 -3.227 13.854 -5.598 1.00 23.14 N ATOM 1695 CA SER A 99 -4.020 15.066 -5.359 1.00 50.44 C ATOM 1696 C SER A 99 -4.827 14.977 -4.036 1.00 71.13 C ATOM 1697 O SER A 99 -5.166 16.011 -3.457 1.00 54.54 O ATOM 1698 CB SER A 99 -4.961 15.314 -6.559 1.00 34.44 C ATOM 1699 OG SER A 99 -5.697 16.524 -6.419 1.00 12.40 O ATOM 0 H SER A 99 -3.583 13.282 -6.364 1.00 23.14 H new ATOM 0 HA SER A 99 -3.334 15.907 -5.257 1.00 50.44 H new ATOM 0 HB2 SER A 99 -4.375 15.350 -7.477 1.00 34.44 H new ATOM 0 HB3 SER A 99 -5.653 14.478 -6.655 1.00 34.44 H new ATOM 0 HG SER A 99 -6.279 16.645 -7.198 1.00 12.40 H new ATOM 1705 N GLN A 100 -5.124 13.742 -3.561 1.00 51.02 N ATOM 1706 CA GLN A 100 -5.789 13.515 -2.245 1.00 43.05 C ATOM 1707 C GLN A 100 -4.793 13.687 -1.071 1.00 43.22 C ATOM 1708 O GLN A 100 -5.189 13.578 0.093 1.00 24.52 O ATOM 1709 CB GLN A 100 -6.462 12.107 -2.187 1.00 32.11 C ATOM 1710 CG GLN A 100 -7.662 11.931 -3.140 1.00 44.21 C ATOM 1711 CD GLN A 100 -8.332 10.548 -3.047 1.00 44.30 C ATOM 1712 OE1 GLN A 100 -7.987 9.617 -3.780 1.00 73.43 O ATOM 1713 NE2 GLN A 100 -9.294 10.402 -2.148 1.00 43.15 N ATOM 0 H GLN A 100 -4.914 12.883 -4.069 1.00 51.02 H new ATOM 0 HA GLN A 100 -6.568 14.271 -2.142 1.00 43.05 H new ATOM 0 HB2 GLN A 100 -5.713 11.351 -2.423 1.00 32.11 H new ATOM 0 HB3 GLN A 100 -6.795 11.919 -1.166 1.00 32.11 H new ATOM 0 HG2 GLN A 100 -8.404 12.699 -2.921 1.00 44.21 H new ATOM 0 HG3 GLN A 100 -7.327 12.094 -4.164 1.00 44.21 H new ATOM 0 HE21 GLN A 100 -9.561 11.187 -1.554 1.00 43.15 H new ATOM 0 HE22 GLN A 100 -9.768 9.504 -2.050 1.00 43.15 H new ATOM 1722 N GLY A 101 -3.503 13.932 -1.388 1.00 20.51 N ATOM 1723 CA GLY A 101 -2.491 14.273 -0.381 1.00 65.24 C ATOM 1724 C GLY A 101 -1.725 13.062 0.130 1.00 15.12 C ATOM 1725 O GLY A 101 -1.540 12.898 1.339 1.00 12.12 O ATOM 0 H GLY A 101 -3.143 13.898 -2.342 1.00 20.51 H new ATOM 0 HA2 GLY A 101 -1.787 14.986 -0.809 1.00 65.24 H new ATOM 0 HA3 GLY A 101 -2.976 14.769 0.459 1.00 65.24 H new ATOM 1729 N TYR A 102 -1.268 12.215 -0.807 1.00 1.10 N ATOM 1730 CA TYR A 102 -0.505 10.981 -0.495 1.00 24.25 C ATOM 1731 C TYR A 102 0.739 10.897 -1.385 1.00 25.24 C ATOM 1732 O TYR A 102 0.709 11.318 -2.552 1.00 4.34 O ATOM 1733 CB TYR A 102 -1.393 9.707 -0.670 1.00 41.31 C ATOM 1734 CG TYR A 102 -2.608 9.673 0.275 1.00 15.41 C ATOM 1735 CD1 TYR A 102 -2.485 9.266 1.609 1.00 11.13 C ATOM 1736 CD2 TYR A 102 -3.867 10.092 -0.163 1.00 73.43 C ATOM 1737 CE1 TYR A 102 -3.572 9.285 2.461 1.00 43.00 C ATOM 1738 CE2 TYR A 102 -4.953 10.103 0.684 1.00 75.33 C ATOM 1739 CZ TYR A 102 -4.800 9.704 1.992 1.00 62.02 C ATOM 1740 OH TYR A 102 -5.880 9.739 2.839 1.00 73.10 O ATOM 0 H TYR A 102 -1.414 12.361 -1.806 1.00 1.10 H new ATOM 0 HA TYR A 102 -0.193 11.025 0.548 1.00 24.25 H new ATOM 0 HB2 TYR A 102 -1.743 9.656 -1.701 1.00 41.31 H new ATOM 0 HB3 TYR A 102 -0.782 8.821 -0.496 1.00 41.31 H new ATOM 0 HD1 TYR A 102 -1.526 8.932 1.977 1.00 11.13 H new ATOM 0 HD2 TYR A 102 -3.991 10.414 -1.186 1.00 73.43 H new ATOM 0 HE1 TYR A 102 -3.461 8.973 3.489 1.00 43.00 H new ATOM 0 HE2 TYR A 102 -5.919 10.423 0.324 1.00 75.33 H new ATOM 0 HH TYR A 102 -6.009 8.855 3.241 1.00 73.10 H new ATOM 1750 N GLU A 103 1.842 10.370 -0.810 1.00 33.43 N ATOM 1751 CA GLU A 103 3.084 10.098 -1.549 1.00 73.11 C ATOM 1752 C GLU A 103 2.908 8.787 -2.334 1.00 62.31 C ATOM 1753 O GLU A 103 3.023 7.692 -1.767 1.00 24.34 O ATOM 1754 CB GLU A 103 4.307 10.011 -0.591 1.00 63.10 C ATOM 1755 CG GLU A 103 5.659 9.801 -1.318 1.00 44.23 C ATOM 1756 CD GLU A 103 6.853 9.662 -0.368 1.00 54.42 C ATOM 1757 OE1 GLU A 103 7.107 10.608 0.413 1.00 5.12 O ATOM 1758 OE2 GLU A 103 7.550 8.622 -0.400 1.00 62.23 O ATOM 0 H GLU A 103 1.892 10.123 0.178 1.00 33.43 H new ATOM 0 HA GLU A 103 3.280 10.919 -2.239 1.00 73.11 H new ATOM 0 HB2 GLU A 103 4.361 10.926 -0.002 1.00 63.10 H new ATOM 0 HB3 GLU A 103 4.150 9.190 0.109 1.00 63.10 H new ATOM 0 HG2 GLU A 103 5.593 8.907 -1.938 1.00 44.23 H new ATOM 0 HG3 GLU A 103 5.835 10.642 -1.989 1.00 44.23 H new ATOM 1765 N VAL A 104 2.565 8.909 -3.628 1.00 63.32 N ATOM 1766 CA VAL A 104 2.237 7.757 -4.490 1.00 40.40 C ATOM 1767 C VAL A 104 3.357 7.512 -5.523 1.00 41.23 C ATOM 1768 O VAL A 104 3.900 8.461 -6.097 1.00 62.41 O ATOM 1769 CB VAL A 104 0.869 7.958 -5.250 1.00 44.00 C ATOM 1770 CG1 VAL A 104 0.414 6.629 -5.892 1.00 32.31 C ATOM 1771 CG2 VAL A 104 -0.227 8.530 -4.319 1.00 61.35 C ATOM 0 H VAL A 104 2.507 9.808 -4.107 1.00 63.32 H new ATOM 0 HA VAL A 104 2.143 6.891 -3.835 1.00 40.40 H new ATOM 0 HB VAL A 104 1.030 8.691 -6.041 1.00 44.00 H new ATOM 0 HG11 VAL A 104 -0.531 6.782 -6.413 1.00 32.31 H new ATOM 0 HG12 VAL A 104 1.169 6.290 -6.601 1.00 32.31 H new ATOM 0 HG13 VAL A 104 0.282 5.876 -5.115 1.00 32.31 H new ATOM 0 HG21 VAL A 104 -1.153 8.654 -4.880 1.00 61.35 H new ATOM 0 HG22 VAL A 104 -0.394 7.843 -3.489 1.00 61.35 H new ATOM 0 HG23 VAL A 104 0.094 9.497 -3.931 1.00 61.35 H new ATOM 1781 N ARG A 105 3.676 6.232 -5.745 1.00 4.32 N ATOM 1782 CA ARG A 105 4.640 5.774 -6.760 1.00 53.42 C ATOM 1783 C ARG A 105 3.936 4.761 -7.690 1.00 75.33 C ATOM 1784 O ARG A 105 3.013 4.065 -7.267 1.00 42.35 O ATOM 1785 CB ARG A 105 5.830 5.094 -6.044 1.00 23.40 C ATOM 1786 CG ARG A 105 7.016 4.649 -6.937 1.00 42.12 C ATOM 1787 CD ARG A 105 7.922 5.811 -7.401 1.00 12.14 C ATOM 1788 NE ARG A 105 9.203 5.320 -7.964 1.00 45.04 N ATOM 1789 CZ ARG A 105 10.304 5.013 -7.244 1.00 10.12 C ATOM 1790 NH1 ARG A 105 10.319 5.133 -5.918 1.00 43.30 N ATOM 1791 NH2 ARG A 105 11.386 4.557 -7.853 1.00 24.21 N ATOM 0 H ARG A 105 3.263 5.466 -5.213 1.00 4.32 H new ATOM 0 HA ARG A 105 5.005 6.615 -7.350 1.00 53.42 H new ATOM 0 HB2 ARG A 105 6.211 5.782 -5.289 1.00 23.40 H new ATOM 0 HB3 ARG A 105 5.454 4.218 -5.516 1.00 23.40 H new ATOM 0 HG2 ARG A 105 7.621 3.927 -6.388 1.00 42.12 H new ATOM 0 HG3 ARG A 105 6.624 4.134 -7.814 1.00 42.12 H new ATOM 0 HD2 ARG A 105 7.398 6.403 -8.152 1.00 12.14 H new ATOM 0 HD3 ARG A 105 8.125 6.472 -6.559 1.00 12.14 H new ATOM 0 HE ARG A 105 9.257 5.205 -8.976 1.00 45.04 H new ATOM 0 HH11 ARG A 105 9.488 5.462 -5.426 1.00 43.30 H new ATOM 0 HH12 ARG A 105 11.161 4.896 -5.394 1.00 43.30 H new ATOM 0 HH21 ARG A 105 11.389 4.437 -8.866 1.00 24.21 H new ATOM 0 HH22 ARG A 105 12.218 4.325 -7.310 1.00 24.21 H new ATOM 1805 N LYS A 106 4.375 4.706 -8.951 1.00 52.21 N ATOM 1806 CA LYS A 106 3.933 3.688 -9.929 1.00 42.40 C ATOM 1807 C LYS A 106 4.971 2.555 -10.000 1.00 43.04 C ATOM 1808 O LYS A 106 6.124 2.739 -9.589 1.00 75.15 O ATOM 1809 CB LYS A 106 3.789 4.333 -11.337 1.00 32.02 C ATOM 1810 CG LYS A 106 2.676 5.397 -11.464 1.00 72.21 C ATOM 1811 CD LYS A 106 2.736 6.177 -12.808 1.00 55.13 C ATOM 1812 CE LYS A 106 2.629 5.281 -14.059 1.00 2.31 C ATOM 1813 NZ LYS A 106 2.806 6.057 -15.315 1.00 3.52 N ATOM 0 H LYS A 106 5.052 5.368 -9.332 1.00 52.21 H new ATOM 0 HA LYS A 106 2.970 3.288 -9.612 1.00 42.40 H new ATOM 0 HB2 LYS A 106 4.740 4.792 -11.608 1.00 32.02 H new ATOM 0 HB3 LYS A 106 3.598 3.543 -12.063 1.00 32.02 H new ATOM 0 HG2 LYS A 106 1.704 4.912 -11.374 1.00 72.21 H new ATOM 0 HG3 LYS A 106 2.758 6.102 -10.637 1.00 72.21 H new ATOM 0 HD2 LYS A 106 1.928 6.909 -12.828 1.00 55.13 H new ATOM 0 HD3 LYS A 106 3.672 6.734 -12.852 1.00 55.13 H new ATOM 0 HE2 LYS A 106 3.383 4.496 -14.008 1.00 2.31 H new ATOM 0 HE3 LYS A 106 1.657 4.789 -14.071 1.00 2.31 H new ATOM 0 HZ1 LYS A 106 2.274 5.600 -16.083 1.00 3.52 H new ATOM 0 HZ2 LYS A 106 2.453 7.026 -15.177 1.00 3.52 H new ATOM 0 HZ3 LYS A 106 3.815 6.088 -15.564 1.00 3.52 H new ATOM 1827 N VAL A 107 4.530 1.385 -10.498 1.00 3.53 N ATOM 1828 CA VAL A 107 5.415 0.288 -10.933 1.00 54.45 C ATOM 1829 C VAL A 107 4.603 -0.720 -11.778 1.00 51.32 C ATOM 1830 O VAL A 107 3.393 -0.882 -11.583 1.00 32.24 O ATOM 1831 CB VAL A 107 6.143 -0.438 -9.723 1.00 52.42 C ATOM 1832 CG1 VAL A 107 5.164 -1.222 -8.818 1.00 11.13 C ATOM 1833 CG2 VAL A 107 7.314 -1.330 -10.209 1.00 61.53 C ATOM 0 H VAL A 107 3.539 1.172 -10.611 1.00 3.53 H new ATOM 0 HA VAL A 107 6.209 0.723 -11.540 1.00 54.45 H new ATOM 0 HB VAL A 107 6.568 0.352 -9.103 1.00 52.42 H new ATOM 0 HG11 VAL A 107 5.718 -1.697 -8.008 1.00 11.13 H new ATOM 0 HG12 VAL A 107 4.427 -0.537 -8.400 1.00 11.13 H new ATOM 0 HG13 VAL A 107 4.656 -1.986 -9.407 1.00 11.13 H new ATOM 0 HG21 VAL A 107 7.786 -1.809 -9.352 1.00 61.53 H new ATOM 0 HG22 VAL A 107 6.933 -2.094 -10.887 1.00 61.53 H new ATOM 0 HG23 VAL A 107 8.047 -0.715 -10.731 1.00 61.53 H new ATOM 1843 N THR A 108 5.267 -1.356 -12.744 1.00 12.10 N ATOM 1844 CA THR A 108 4.671 -2.391 -13.610 1.00 24.44 C ATOM 1845 C THR A 108 5.394 -3.730 -13.422 1.00 10.11 C ATOM 1846 O THR A 108 4.762 -4.790 -13.445 1.00 2.35 O ATOM 1847 CB THR A 108 4.738 -1.959 -15.111 1.00 75.51 C ATOM 1848 OG1 THR A 108 6.082 -1.559 -15.442 1.00 53.14 O ATOM 1849 CG2 THR A 108 3.774 -0.803 -15.422 1.00 5.30 C ATOM 0 H THR A 108 6.247 -1.169 -12.955 1.00 12.10 H new ATOM 0 HA THR A 108 3.626 -2.510 -13.325 1.00 24.44 H new ATOM 0 HB THR A 108 4.439 -2.817 -15.713 1.00 75.51 H new ATOM 0 HG1 THR A 108 6.121 -1.291 -16.384 1.00 53.14 H new ATOM 0 HG21 THR A 108 3.854 -0.536 -16.476 1.00 5.30 H new ATOM 0 HG22 THR A 108 2.752 -1.112 -15.203 1.00 5.30 H new ATOM 0 HG23 THR A 108 4.031 0.060 -14.808 1.00 5.30 H new ATOM 1857 N ASP A 109 6.725 -3.667 -13.225 1.00 43.04 N ATOM 1858 CA ASP A 109 7.577 -4.858 -13.079 1.00 30.33 C ATOM 1859 C ASP A 109 7.398 -5.452 -11.680 1.00 10.32 C ATOM 1860 O ASP A 109 7.327 -4.699 -10.702 1.00 13.45 O ATOM 1861 CB ASP A 109 9.069 -4.493 -13.287 1.00 3.11 C ATOM 1862 CG ASP A 109 9.366 -3.949 -14.689 1.00 4.24 C ATOM 1863 OD1 ASP A 109 9.542 -4.754 -15.627 1.00 32.23 O ATOM 1864 OD2 ASP A 109 9.408 -2.711 -14.864 1.00 1.12 O ATOM 0 H ASP A 109 7.238 -2.787 -13.163 1.00 43.04 H new ATOM 0 HA ASP A 109 7.281 -5.586 -13.834 1.00 30.33 H new ATOM 0 HB2 ASP A 109 9.361 -3.749 -12.546 1.00 3.11 H new ATOM 0 HB3 ASP A 109 9.681 -5.377 -13.110 1.00 3.11 H new ATOM 1869 N ASP A 110 7.336 -6.791 -11.591 1.00 52.44 N ATOM 1870 CA ASP A 110 7.234 -7.501 -10.302 1.00 54.34 C ATOM 1871 C ASP A 110 8.599 -7.510 -9.590 1.00 63.13 C ATOM 1872 O ASP A 110 8.660 -7.464 -8.352 1.00 63.45 O ATOM 1873 CB ASP A 110 6.704 -8.952 -10.492 1.00 33.53 C ATOM 1874 CG ASP A 110 7.704 -9.940 -11.119 1.00 60.14 C ATOM 1875 OD1 ASP A 110 7.830 -9.975 -12.361 1.00 63.52 O ATOM 1876 OD2 ASP A 110 8.390 -10.672 -10.369 1.00 34.02 O ATOM 0 H ASP A 110 7.355 -7.409 -12.402 1.00 52.44 H new ATOM 0 HA ASP A 110 6.516 -6.968 -9.679 1.00 54.34 H new ATOM 0 HB2 ASP A 110 6.396 -9.339 -9.521 1.00 33.53 H new ATOM 0 HB3 ASP A 110 5.812 -8.917 -11.118 1.00 33.53 H new ATOM 1881 N GLU A 111 9.687 -7.570 -10.400 1.00 2.23 N ATOM 1882 CA GLU A 111 11.073 -7.543 -9.901 1.00 44.32 C ATOM 1883 C GLU A 111 11.358 -6.188 -9.224 1.00 43.13 C ATOM 1884 O GLU A 111 11.935 -6.130 -8.132 1.00 11.25 O ATOM 1885 CB GLU A 111 12.092 -7.808 -11.057 1.00 72.24 C ATOM 1886 CG GLU A 111 12.063 -6.770 -12.209 1.00 22.01 C ATOM 1887 CD GLU A 111 13.211 -6.927 -13.219 1.00 34.55 C ATOM 1888 OE1 GLU A 111 14.336 -6.463 -12.928 1.00 51.43 O ATOM 1889 OE2 GLU A 111 13.003 -7.515 -14.305 1.00 61.24 O ATOM 0 H GLU A 111 9.621 -7.638 -11.416 1.00 2.23 H new ATOM 0 HA GLU A 111 11.193 -8.339 -9.166 1.00 44.32 H new ATOM 0 HB2 GLU A 111 13.097 -7.833 -10.636 1.00 72.24 H new ATOM 0 HB3 GLU A 111 11.896 -8.796 -11.474 1.00 72.24 H new ATOM 0 HG2 GLU A 111 11.113 -6.855 -12.737 1.00 22.01 H new ATOM 0 HG3 GLU A 111 12.102 -5.768 -11.783 1.00 22.01 H new ATOM 1896 N GLU A 112 10.877 -5.112 -9.880 1.00 32.32 N ATOM 1897 CA GLU A 112 11.115 -3.733 -9.455 1.00 25.33 C ATOM 1898 C GLU A 112 10.158 -3.362 -8.321 1.00 25.35 C ATOM 1899 O GLU A 112 10.532 -2.583 -7.457 1.00 41.31 O ATOM 1900 CB GLU A 112 10.966 -2.744 -10.641 1.00 44.42 C ATOM 1901 CG GLU A 112 11.473 -1.316 -10.333 1.00 55.24 C ATOM 1902 CD GLU A 112 11.248 -0.328 -11.481 1.00 44.23 C ATOM 1903 OE1 GLU A 112 12.053 -0.318 -12.433 1.00 65.43 O ATOM 1904 OE2 GLU A 112 10.248 0.419 -11.450 1.00 61.14 O ATOM 0 H GLU A 112 10.310 -5.185 -10.724 1.00 32.32 H new ATOM 0 HA GLU A 112 12.140 -3.660 -9.092 1.00 25.33 H new ATOM 0 HB2 GLU A 112 11.512 -3.136 -11.499 1.00 44.42 H new ATOM 0 HB3 GLU A 112 9.916 -2.692 -10.928 1.00 44.42 H new ATOM 0 HG2 GLU A 112 10.969 -0.945 -9.440 1.00 55.24 H new ATOM 0 HG3 GLU A 112 12.538 -1.358 -10.104 1.00 55.24 H new ATOM 1911 N ALA A 113 8.933 -3.960 -8.325 1.00 73.21 N ATOM 1912 CA ALA A 113 7.909 -3.735 -7.280 1.00 22.35 C ATOM 1913 C ALA A 113 8.510 -3.947 -5.887 1.00 31.02 C ATOM 1914 O ALA A 113 8.399 -3.077 -5.026 1.00 63.12 O ATOM 1915 CB ALA A 113 6.701 -4.665 -7.494 1.00 12.41 C ATOM 0 H ALA A 113 8.635 -4.609 -9.053 1.00 73.21 H new ATOM 0 HA ALA A 113 7.564 -2.704 -7.354 1.00 22.35 H new ATOM 0 HB1 ALA A 113 5.960 -4.484 -6.715 1.00 12.41 H new ATOM 0 HB2 ALA A 113 6.258 -4.467 -8.470 1.00 12.41 H new ATOM 0 HB3 ALA A 113 7.029 -5.704 -7.448 1.00 12.41 H new ATOM 1921 N LEU A 114 9.237 -5.081 -5.746 1.00 64.10 N ATOM 1922 CA LEU A 114 9.934 -5.466 -4.508 1.00 3.31 C ATOM 1923 C LEU A 114 11.011 -4.415 -4.139 1.00 43.23 C ATOM 1924 O LEU A 114 11.182 -4.069 -2.961 1.00 54.54 O ATOM 1925 CB LEU A 114 10.592 -6.867 -4.674 1.00 2.15 C ATOM 1926 CG LEU A 114 9.666 -8.029 -5.158 1.00 12.32 C ATOM 1927 CD1 LEU A 114 10.444 -9.357 -5.249 1.00 31.23 C ATOM 1928 CD2 LEU A 114 8.418 -8.178 -4.267 1.00 1.45 C ATOM 0 H LEU A 114 9.354 -5.758 -6.500 1.00 64.10 H new ATOM 0 HA LEU A 114 9.202 -5.511 -3.702 1.00 3.31 H new ATOM 0 HB2 LEU A 114 11.416 -6.773 -5.381 1.00 2.15 H new ATOM 0 HB3 LEU A 114 11.025 -7.154 -3.716 1.00 2.15 H new ATOM 0 HG LEU A 114 9.319 -7.770 -6.159 1.00 12.32 H new ATOM 0 HD11 LEU A 114 9.775 -10.148 -5.588 1.00 31.23 H new ATOM 0 HD12 LEU A 114 11.266 -9.249 -5.956 1.00 31.23 H new ATOM 0 HD13 LEU A 114 10.841 -9.614 -4.267 1.00 31.23 H new ATOM 0 HD21 LEU A 114 7.801 -8.997 -4.638 1.00 1.45 H new ATOM 0 HD22 LEU A 114 8.725 -8.391 -3.243 1.00 1.45 H new ATOM 0 HD23 LEU A 114 7.843 -7.252 -4.288 1.00 1.45 H new ATOM 1940 N LYS A 115 11.715 -3.907 -5.177 1.00 73.43 N ATOM 1941 CA LYS A 115 12.807 -2.918 -5.021 1.00 71.50 C ATOM 1942 C LYS A 115 12.261 -1.524 -4.631 1.00 43.52 C ATOM 1943 O LYS A 115 12.981 -0.733 -4.023 1.00 14.44 O ATOM 1944 CB LYS A 115 13.667 -2.810 -6.325 1.00 33.53 C ATOM 1945 CG LYS A 115 14.277 -4.133 -6.872 1.00 63.24 C ATOM 1946 CD LYS A 115 15.129 -4.939 -5.834 1.00 4.45 C ATOM 1947 CE LYS A 115 14.346 -6.096 -5.184 1.00 34.42 C ATOM 1948 NZ LYS A 115 15.120 -6.792 -4.130 1.00 14.40 N ATOM 0 H LYS A 115 11.542 -4.171 -6.147 1.00 73.43 H new ATOM 0 HA LYS A 115 13.445 -3.275 -4.212 1.00 71.50 H new ATOM 0 HB2 LYS A 115 13.046 -2.373 -7.107 1.00 33.53 H new ATOM 0 HB3 LYS A 115 14.482 -2.111 -6.138 1.00 33.53 H new ATOM 0 HG2 LYS A 115 13.468 -4.770 -7.230 1.00 63.24 H new ATOM 0 HG3 LYS A 115 14.904 -3.900 -7.733 1.00 63.24 H new ATOM 0 HD2 LYS A 115 16.013 -5.339 -6.330 1.00 4.45 H new ATOM 0 HD3 LYS A 115 15.479 -4.262 -5.055 1.00 4.45 H new ATOM 0 HE2 LYS A 115 13.423 -5.707 -4.754 1.00 34.42 H new ATOM 0 HE3 LYS A 115 14.062 -6.814 -5.953 1.00 34.42 H new ATOM 0 HZ1 LYS A 115 14.546 -7.560 -3.728 1.00 14.40 H new ATOM 0 HZ2 LYS A 115 15.989 -7.189 -4.542 1.00 14.40 H new ATOM 0 HZ3 LYS A 115 15.370 -6.117 -3.380 1.00 14.40 H new ATOM 1962 N ILE A 116 10.994 -1.219 -4.986 1.00 55.33 N ATOM 1963 CA ILE A 116 10.365 0.065 -4.614 1.00 2.12 C ATOM 1964 C ILE A 116 9.847 -0.003 -3.155 1.00 54.35 C ATOM 1965 O ILE A 116 9.818 1.017 -2.454 1.00 52.35 O ATOM 1966 CB ILE A 116 9.184 0.489 -5.575 1.00 73.14 C ATOM 1967 CG1 ILE A 116 9.566 0.368 -7.091 1.00 41.41 C ATOM 1968 CG2 ILE A 116 8.726 1.932 -5.258 1.00 75.22 C ATOM 1969 CD1 ILE A 116 10.773 1.175 -7.539 1.00 11.22 C ATOM 0 H ILE A 116 10.391 -1.840 -5.526 1.00 55.33 H new ATOM 0 HA ILE A 116 11.139 0.826 -4.710 1.00 2.12 H new ATOM 0 HB ILE A 116 8.363 -0.205 -5.393 1.00 73.14 H new ATOM 0 HG12 ILE A 116 9.752 -0.682 -7.316 1.00 41.41 H new ATOM 0 HG13 ILE A 116 8.707 0.675 -7.688 1.00 41.41 H new ATOM 0 HG21 ILE A 116 7.912 2.211 -5.927 1.00 75.22 H new ATOM 0 HG22 ILE A 116 8.381 1.986 -4.225 1.00 75.22 H new ATOM 0 HG23 ILE A 116 9.562 2.618 -5.397 1.00 75.22 H new ATOM 0 HD11 ILE A 116 10.943 1.014 -8.604 1.00 11.22 H new ATOM 0 HD12 ILE A 116 10.591 2.234 -7.356 1.00 11.22 H new ATOM 0 HD13 ILE A 116 11.652 0.856 -6.979 1.00 11.22 H new ATOM 1981 N VAL A 117 9.452 -1.218 -2.702 1.00 22.20 N ATOM 1982 CA VAL A 117 9.000 -1.436 -1.309 1.00 22.15 C ATOM 1983 C VAL A 117 10.147 -1.112 -0.327 1.00 43.40 C ATOM 1984 O VAL A 117 9.922 -0.450 0.693 1.00 5.12 O ATOM 1985 CB VAL A 117 8.484 -2.904 -1.039 1.00 63.00 C ATOM 1986 CG1 VAL A 117 7.908 -3.042 0.391 1.00 62.55 C ATOM 1987 CG2 VAL A 117 7.434 -3.349 -2.079 1.00 44.03 C ATOM 0 H VAL A 117 9.438 -2.058 -3.280 1.00 22.20 H new ATOM 0 HA VAL A 117 8.155 -0.765 -1.152 1.00 22.15 H new ATOM 0 HB VAL A 117 9.348 -3.561 -1.133 1.00 63.00 H new ATOM 0 HG11 VAL A 117 7.561 -4.064 0.546 1.00 62.55 H new ATOM 0 HG12 VAL A 117 8.684 -2.807 1.120 1.00 62.55 H new ATOM 0 HG13 VAL A 117 7.073 -2.352 0.515 1.00 62.55 H new ATOM 0 HG21 VAL A 117 7.107 -4.364 -1.855 1.00 44.03 H new ATOM 0 HG22 VAL A 117 6.578 -2.676 -2.042 1.00 44.03 H new ATOM 0 HG23 VAL A 117 7.875 -3.322 -3.076 1.00 44.03 H new ATOM 1997 N ARG A 118 11.387 -1.560 -0.672 1.00 71.33 N ATOM 1998 CA ARG A 118 12.577 -1.323 0.177 1.00 45.23 C ATOM 1999 C ARG A 118 12.938 0.174 0.215 1.00 24.42 C ATOM 2000 O ARG A 118 13.556 0.631 1.183 1.00 72.53 O ATOM 2001 CB ARG A 118 13.815 -2.173 -0.253 1.00 15.15 C ATOM 2002 CG ARG A 118 14.572 -1.667 -1.501 1.00 73.22 C ATOM 2003 CD ARG A 118 15.854 -2.468 -1.799 1.00 41.33 C ATOM 2004 NE ARG A 118 16.812 -2.433 -0.682 1.00 10.22 N ATOM 2005 CZ ARG A 118 18.121 -2.728 -0.766 1.00 14.41 C ATOM 2006 NH1 ARG A 118 18.675 -3.090 -1.926 1.00 14.13 N ATOM 2007 NH2 ARG A 118 18.868 -2.673 0.321 1.00 73.03 N ATOM 0 H ARG A 118 11.582 -2.082 -1.526 1.00 71.33 H new ATOM 0 HA ARG A 118 12.305 -1.649 1.181 1.00 45.23 H new ATOM 0 HB2 ARG A 118 14.514 -2.212 0.582 1.00 15.15 H new ATOM 0 HB3 ARG A 118 13.484 -3.195 -0.440 1.00 15.15 H new ATOM 0 HG2 ARG A 118 13.910 -1.718 -2.365 1.00 73.22 H new ATOM 0 HG3 ARG A 118 14.831 -0.618 -1.360 1.00 73.22 H new ATOM 0 HD2 ARG A 118 15.590 -3.503 -2.015 1.00 41.33 H new ATOM 0 HD3 ARG A 118 16.329 -2.067 -2.694 1.00 41.33 H new ATOM 0 HE ARG A 118 16.452 -2.162 0.233 1.00 10.22 H new ATOM 0 HH11 ARG A 118 18.103 -3.147 -2.769 1.00 14.13 H new ATOM 0 HH12 ARG A 118 19.670 -3.310 -1.969 1.00 14.13 H new ATOM 0 HH21 ARG A 118 18.451 -2.409 1.214 1.00 73.03 H new ATOM 0 HH22 ARG A 118 19.862 -2.895 0.268 1.00 73.03 H new ATOM 2021 N GLU A 119 12.545 0.933 -0.852 1.00 24.34 N ATOM 2022 CA GLU A 119 12.694 2.395 -0.881 1.00 41.25 C ATOM 2023 C GLU A 119 11.815 3.031 0.196 1.00 13.34 C ATOM 2024 O GLU A 119 12.297 3.836 0.974 1.00 55.54 O ATOM 2025 CB GLU A 119 12.327 3.001 -2.261 1.00 31.11 C ATOM 2026 CG GLU A 119 13.324 2.712 -3.394 1.00 24.25 C ATOM 2027 CD GLU A 119 13.040 3.568 -4.642 1.00 24.12 C ATOM 2028 OE1 GLU A 119 13.005 4.812 -4.508 1.00 33.41 O ATOM 2029 OE2 GLU A 119 12.842 3.023 -5.741 1.00 24.54 O ATOM 0 H GLU A 119 12.125 0.543 -1.695 1.00 24.34 H new ATOM 0 HA GLU A 119 13.745 2.611 -0.691 1.00 41.25 H new ATOM 0 HB2 GLU A 119 11.348 2.623 -2.556 1.00 31.11 H new ATOM 0 HB3 GLU A 119 12.232 4.081 -2.151 1.00 31.11 H new ATOM 0 HG2 GLU A 119 14.338 2.906 -3.044 1.00 24.25 H new ATOM 0 HG3 GLU A 119 13.275 1.656 -3.660 1.00 24.25 H new ATOM 2036 N PHE A 120 10.515 2.664 0.207 1.00 14.31 N ATOM 2037 CA PHE A 120 9.536 3.171 1.189 1.00 73.13 C ATOM 2038 C PHE A 120 9.936 2.836 2.626 1.00 70.54 C ATOM 2039 O PHE A 120 9.791 3.669 3.513 1.00 5.35 O ATOM 2040 CB PHE A 120 8.122 2.619 0.894 1.00 10.42 C ATOM 2041 CG PHE A 120 7.517 3.155 -0.395 1.00 63.35 C ATOM 2042 CD1 PHE A 120 7.435 4.534 -0.612 1.00 44.24 C ATOM 2043 CD2 PHE A 120 7.018 2.301 -1.371 1.00 64.22 C ATOM 2044 CE1 PHE A 120 6.874 5.032 -1.760 1.00 35.54 C ATOM 2045 CE2 PHE A 120 6.454 2.809 -2.515 1.00 42.23 C ATOM 2046 CZ PHE A 120 6.382 4.169 -2.707 1.00 25.03 C ATOM 0 H PHE A 120 10.117 2.008 -0.465 1.00 14.31 H new ATOM 0 HA PHE A 120 9.524 4.256 1.090 1.00 73.13 H new ATOM 0 HB2 PHE A 120 8.170 1.531 0.839 1.00 10.42 H new ATOM 0 HB3 PHE A 120 7.463 2.867 1.726 1.00 10.42 H new ATOM 0 HD1 PHE A 120 7.818 5.215 0.134 1.00 44.24 H new ATOM 0 HD2 PHE A 120 7.074 1.232 -1.229 1.00 64.22 H new ATOM 0 HE1 PHE A 120 6.820 6.099 -1.918 1.00 35.54 H new ATOM 0 HE2 PHE A 120 6.065 2.138 -3.267 1.00 42.23 H new ATOM 0 HZ PHE A 120 5.935 4.560 -3.609 1.00 25.03 H new ATOM 2056 N MET A 121 10.429 1.609 2.839 1.00 71.22 N ATOM 2057 CA MET A 121 10.880 1.152 4.160 1.00 1.05 C ATOM 2058 C MET A 121 12.149 1.915 4.620 1.00 10.53 C ATOM 2059 O MET A 121 12.358 2.098 5.819 1.00 70.22 O ATOM 2060 CB MET A 121 11.088 -0.389 4.148 1.00 62.35 C ATOM 2061 CG MET A 121 9.793 -1.192 3.892 1.00 53.33 C ATOM 2062 SD MET A 121 10.002 -2.976 4.102 1.00 4.34 S ATOM 2063 CE MET A 121 11.078 -3.409 2.735 1.00 22.34 C ATOM 0 H MET A 121 10.526 0.908 2.104 1.00 71.22 H new ATOM 0 HA MET A 121 10.105 1.377 4.893 1.00 1.05 H new ATOM 0 HB2 MET A 121 11.819 -0.641 3.380 1.00 62.35 H new ATOM 0 HB3 MET A 121 11.512 -0.696 5.104 1.00 62.35 H new ATOM 0 HG2 MET A 121 9.017 -0.842 4.572 1.00 53.33 H new ATOM 0 HG3 MET A 121 9.444 -0.991 2.879 1.00 53.33 H new ATOM 0 HE1 MET A 121 11.208 -4.491 2.703 1.00 22.34 H new ATOM 0 HE2 MET A 121 10.633 -3.069 1.800 1.00 22.34 H new ATOM 0 HE3 MET A 121 12.048 -2.931 2.870 1.00 22.34 H new ATOM 2073 N GLN A 122 12.977 2.368 3.653 1.00 65.24 N ATOM 2074 CA GLN A 122 14.172 3.200 3.924 1.00 23.24 C ATOM 2075 C GLN A 122 13.785 4.681 4.194 1.00 20.13 C ATOM 2076 O GLN A 122 14.302 5.302 5.125 1.00 33.45 O ATOM 2077 CB GLN A 122 15.162 3.099 2.726 1.00 31.21 C ATOM 2078 CG GLN A 122 16.486 3.866 2.912 1.00 0.15 C ATOM 2079 CD GLN A 122 17.517 3.592 1.811 1.00 71.14 C ATOM 2080 OE1 GLN A 122 17.558 4.275 0.790 1.00 53.22 O ATOM 2081 NE2 GLN A 122 18.357 2.594 2.011 1.00 3.20 N ATOM 0 H GLN A 122 12.836 2.168 2.663 1.00 65.24 H new ATOM 0 HA GLN A 122 14.658 2.823 4.824 1.00 23.24 H new ATOM 0 HB2 GLN A 122 15.390 2.048 2.549 1.00 31.21 H new ATOM 0 HB3 GLN A 122 14.665 3.472 1.831 1.00 31.21 H new ATOM 0 HG2 GLN A 122 16.275 4.935 2.942 1.00 0.15 H new ATOM 0 HG3 GLN A 122 16.918 3.599 3.877 1.00 0.15 H new ATOM 0 HE21 GLN A 122 18.300 2.044 2.868 1.00 3.20 H new ATOM 0 HE22 GLN A 122 19.063 2.373 1.309 1.00 3.20 H new ATOM 2090 N LYS A 123 12.850 5.217 3.380 1.00 1.12 N ATOM 2091 CA LYS A 123 12.440 6.645 3.404 1.00 13.50 C ATOM 2092 C LYS A 123 11.611 6.960 4.662 1.00 33.21 C ATOM 2093 O LYS A 123 11.791 8.012 5.291 1.00 21.20 O ATOM 2094 CB LYS A 123 11.639 7.000 2.115 1.00 12.21 C ATOM 2095 CG LYS A 123 12.484 7.002 0.813 1.00 2.13 C ATOM 2096 CD LYS A 123 11.633 7.308 -0.446 1.00 2.34 C ATOM 2097 CE LYS A 123 12.486 7.503 -1.716 1.00 60.03 C ATOM 2098 NZ LYS A 123 13.236 6.278 -2.091 1.00 75.12 N ATOM 0 H LYS A 123 12.351 4.668 2.680 1.00 1.12 H new ATOM 0 HA LYS A 123 13.341 7.258 3.434 1.00 13.50 H new ATOM 0 HB2 LYS A 123 10.822 6.287 2.002 1.00 12.21 H new ATOM 0 HB3 LYS A 123 11.188 7.984 2.242 1.00 12.21 H new ATOM 0 HG2 LYS A 123 13.278 7.744 0.900 1.00 2.13 H new ATOM 0 HG3 LYS A 123 12.966 6.031 0.695 1.00 2.13 H new ATOM 0 HD2 LYS A 123 10.929 6.492 -0.609 1.00 2.34 H new ATOM 0 HD3 LYS A 123 11.043 8.207 -0.269 1.00 2.34 H new ATOM 0 HE2 LYS A 123 11.839 7.796 -2.543 1.00 60.03 H new ATOM 0 HE3 LYS A 123 13.189 8.321 -1.556 1.00 60.03 H new ATOM 0 HZ1 LYS A 123 14.228 6.524 -2.284 1.00 75.12 H new ATOM 0 HZ2 LYS A 123 13.195 5.593 -1.310 1.00 75.12 H new ATOM 0 HZ3 LYS A 123 12.811 5.858 -2.942 1.00 75.12 H new ATOM 2112 N ALA A 124 10.689 6.036 4.991 1.00 32.45 N ATOM 2113 CA ALA A 124 9.922 6.055 6.248 1.00 21.52 C ATOM 2114 C ALA A 124 10.853 6.061 7.460 1.00 3.34 C ATOM 2115 O ALA A 124 10.523 6.660 8.481 1.00 74.22 O ATOM 2116 CB ALA A 124 8.974 4.850 6.314 1.00 32.21 C ATOM 0 H ALA A 124 10.454 5.249 4.386 1.00 32.45 H new ATOM 0 HA ALA A 124 9.331 6.971 6.268 1.00 21.52 H new ATOM 0 HB1 ALA A 124 8.414 4.878 7.249 1.00 32.21 H new ATOM 0 HB2 ALA A 124 8.280 4.887 5.474 1.00 32.21 H new ATOM 0 HB3 ALA A 124 9.554 3.928 6.266 1.00 32.21 H new ATOM 2122 N GLY A 125 12.028 5.408 7.301 1.00 12.33 N ATOM 2123 CA GLY A 125 13.048 5.340 8.344 1.00 4.34 C ATOM 2124 C GLY A 125 13.559 6.710 8.776 1.00 0.34 C ATOM 2125 O GLY A 125 13.942 6.884 9.931 1.00 1.24 O ATOM 0 H GLY A 125 12.284 4.918 6.444 1.00 12.33 H new ATOM 0 HA2 GLY A 125 12.637 4.823 9.211 1.00 4.34 H new ATOM 0 HA3 GLY A 125 13.887 4.744 7.985 1.00 4.34 H new ATOM 2129 N SER A 126 13.550 7.690 7.854 1.00 55.23 N ATOM 2130 CA SER A 126 13.974 9.068 8.142 1.00 53.23 C ATOM 2131 C SER A 126 12.932 9.774 9.039 1.00 25.34 C ATOM 2132 O SER A 126 13.291 10.546 9.940 1.00 21.11 O ATOM 2133 CB SER A 126 14.172 9.839 6.814 1.00 71.35 C ATOM 2134 OG SER A 126 14.673 11.147 7.035 1.00 63.01 O ATOM 0 H SER A 126 13.249 7.547 6.890 1.00 55.23 H new ATOM 0 HA SER A 126 14.922 9.048 8.680 1.00 53.23 H new ATOM 0 HB2 SER A 126 14.861 9.289 6.174 1.00 71.35 H new ATOM 0 HB3 SER A 126 13.222 9.898 6.283 1.00 71.35 H new ATOM 0 HG SER A 126 14.787 11.603 6.175 1.00 63.01 H new ATOM 2140 N LEU A 127 11.637 9.468 8.790 1.00 73.11 N ATOM 2141 CA LEU A 127 10.503 10.041 9.551 1.00 10.11 C ATOM 2142 C LEU A 127 10.420 9.420 10.948 1.00 32.31 C ATOM 2143 O LEU A 127 10.053 10.088 11.918 1.00 21.53 O ATOM 2144 CB LEU A 127 9.167 9.826 8.793 1.00 5.11 C ATOM 2145 CG LEU A 127 9.070 10.490 7.387 1.00 15.01 C ATOM 2146 CD1 LEU A 127 7.680 10.258 6.770 1.00 42.02 C ATOM 2147 CD2 LEU A 127 9.413 11.995 7.456 1.00 14.34 C ATOM 0 H LEU A 127 11.350 8.819 8.058 1.00 73.11 H new ATOM 0 HA LEU A 127 10.675 11.112 9.655 1.00 10.11 H new ATOM 0 HB2 LEU A 127 9.004 8.754 8.680 1.00 5.11 H new ATOM 0 HB3 LEU A 127 8.355 10.208 9.411 1.00 5.11 H new ATOM 0 HG LEU A 127 9.807 10.018 6.737 1.00 15.01 H new ATOM 0 HD11 LEU A 127 7.634 10.730 5.789 1.00 42.02 H new ATOM 0 HD12 LEU A 127 7.502 9.188 6.667 1.00 42.02 H new ATOM 0 HD13 LEU A 127 6.918 10.692 7.417 1.00 42.02 H new ATOM 0 HD21 LEU A 127 9.337 12.432 6.460 1.00 14.34 H new ATOM 0 HD22 LEU A 127 8.715 12.497 8.126 1.00 14.34 H new ATOM 0 HD23 LEU A 127 10.429 12.120 7.830 1.00 14.34 H new ATOM 2159 N GLU A 128 10.760 8.123 11.019 1.00 34.03 N ATOM 2160 CA GLU A 128 10.868 7.375 12.280 1.00 30.53 C ATOM 2161 C GLU A 128 12.038 7.902 13.116 1.00 34.11 C ATOM 2162 O GLU A 128 12.008 7.819 14.345 1.00 1.32 O ATOM 2163 CB GLU A 128 11.108 5.871 11.987 1.00 12.32 C ATOM 2164 CG GLU A 128 9.968 5.163 11.239 1.00 51.53 C ATOM 2165 CD GLU A 128 10.321 3.717 10.848 1.00 13.15 C ATOM 2166 OE1 GLU A 128 10.576 2.893 11.759 1.00 40.33 O ATOM 2167 OE2 GLU A 128 10.362 3.397 9.644 1.00 21.23 O ATOM 0 H GLU A 128 10.969 7.560 10.195 1.00 34.03 H new ATOM 0 HA GLU A 128 9.937 7.504 12.832 1.00 30.53 H new ATOM 0 HB2 GLU A 128 12.022 5.772 11.402 1.00 12.32 H new ATOM 0 HB3 GLU A 128 11.277 5.355 12.932 1.00 12.32 H new ATOM 0 HG2 GLU A 128 9.076 5.158 11.866 1.00 51.53 H new ATOM 0 HG3 GLU A 128 9.723 5.728 10.340 1.00 51.53 H new ATOM 2174 N HIS A 129 13.061 8.456 12.412 1.00 40.11 N ATOM 2175 CA HIS A 129 14.391 8.743 12.975 1.00 13.53 C ATOM 2176 C HIS A 129 14.981 7.410 13.482 1.00 43.14 C ATOM 2177 O HIS A 129 15.569 7.322 14.566 1.00 55.53 O ATOM 2178 CB HIS A 129 14.348 9.841 14.079 1.00 31.42 C ATOM 2179 CG HIS A 129 13.675 11.128 13.660 1.00 72.45 C ATOM 2180 ND1 HIS A 129 14.360 12.261 13.286 1.00 33.33 N ATOM 2181 CD2 HIS A 129 12.363 11.450 13.581 1.00 3.45 C ATOM 2182 CE1 HIS A 129 13.500 13.215 13.001 1.00 21.13 C ATOM 2183 NE2 HIS A 129 12.283 12.750 13.173 1.00 53.53 N ATOM 0 H HIS A 129 12.976 8.715 11.429 1.00 40.11 H new ATOM 0 HA HIS A 129 15.038 9.160 12.203 1.00 13.53 H new ATOM 0 HB2 HIS A 129 13.829 9.442 14.950 1.00 31.42 H new ATOM 0 HB3 HIS A 129 15.368 10.065 14.391 1.00 31.42 H new ATOM 0 HD2 HIS A 129 11.531 10.797 13.801 1.00 3.45 H new ATOM 0 HE1 HIS A 129 13.752 14.215 12.679 1.00 21.13 H new ATOM 0 HE2 HIS A 129 11.421 13.274 13.026 1.00 53.53 H new ATOM 2192 N HIS A 130 14.767 6.375 12.639 1.00 53.31 N ATOM 2193 CA HIS A 130 15.158 4.982 12.869 1.00 53.23 C ATOM 2194 C HIS A 130 16.691 4.876 12.806 1.00 25.42 C ATOM 2195 O HIS A 130 17.265 4.541 11.762 1.00 15.51 O ATOM 2196 CB HIS A 130 14.457 4.078 11.798 1.00 32.34 C ATOM 2197 CG HIS A 130 14.475 2.591 12.053 1.00 24.15 C ATOM 2198 ND1 HIS A 130 13.515 1.751 11.536 1.00 43.43 N ATOM 2199 CD2 HIS A 130 15.331 1.789 12.739 1.00 5.33 C ATOM 2200 CE1 HIS A 130 13.774 0.516 11.889 1.00 74.32 C ATOM 2201 NE2 HIS A 130 14.869 0.511 12.618 1.00 34.44 N ATOM 0 H HIS A 130 14.296 6.502 11.743 1.00 53.31 H new ATOM 0 HA HIS A 130 14.842 4.641 13.855 1.00 53.23 H new ATOM 0 HB2 HIS A 130 13.418 4.396 11.711 1.00 32.34 H new ATOM 0 HB3 HIS A 130 14.929 4.264 10.833 1.00 32.34 H new ATOM 0 HD2 HIS A 130 16.212 2.104 13.279 1.00 5.33 H new ATOM 0 HE1 HIS A 130 13.187 -0.352 11.626 1.00 74.32 H new ATOM 0 HE2 HIS A 130 15.303 -0.316 13.027 1.00 34.44 H new ATOM 2210 N HIS A 131 17.343 5.219 13.927 1.00 0.13 N ATOM 2211 CA HIS A 131 18.806 5.264 14.020 1.00 74.12 C ATOM 2212 C HIS A 131 19.371 3.854 14.188 1.00 35.52 C ATOM 2213 O HIS A 131 19.590 3.367 15.300 1.00 11.50 O ATOM 2214 CB HIS A 131 19.270 6.229 15.140 1.00 74.12 C ATOM 2215 CG HIS A 131 19.181 7.674 14.729 1.00 43.23 C ATOM 2216 ND1 HIS A 131 20.000 8.210 13.758 1.00 51.22 N ATOM 2217 CD2 HIS A 131 18.374 8.680 15.127 1.00 45.45 C ATOM 2218 CE1 HIS A 131 19.693 9.474 13.577 1.00 63.22 C ATOM 2219 NE2 HIS A 131 18.711 9.786 14.394 1.00 54.13 N ATOM 0 H HIS A 131 16.869 5.473 14.794 1.00 0.13 H new ATOM 0 HA HIS A 131 19.204 5.665 13.088 1.00 74.12 H new ATOM 0 HB2 HIS A 131 18.660 6.069 16.029 1.00 74.12 H new ATOM 0 HB3 HIS A 131 20.299 5.995 15.414 1.00 74.12 H new ATOM 0 HD2 HIS A 131 17.605 8.623 15.883 1.00 45.45 H new ATOM 0 HE1 HIS A 131 20.167 10.144 12.875 1.00 63.22 H new ATOM 0 HE2 HIS A 131 18.272 10.703 14.469 1.00 54.13 H new ATOM 2228 N HIS A 132 19.510 3.194 13.045 1.00 64.14 N ATOM 2229 CA HIS A 132 20.135 1.891 12.907 1.00 55.33 C ATOM 2230 C HIS A 132 20.730 1.872 11.507 1.00 2.42 C ATOM 2231 O HIS A 132 19.990 1.678 10.533 1.00 33.24 O ATOM 2232 CB HIS A 132 19.104 0.743 13.106 1.00 3.11 C ATOM 2233 CG HIS A 132 19.719 -0.640 13.162 1.00 14.22 C ATOM 2234 ND1 HIS A 132 19.994 -1.287 14.347 1.00 62.34 N ATOM 2235 CD2 HIS A 132 20.068 -1.502 12.177 1.00 1.03 C ATOM 2236 CE1 HIS A 132 20.493 -2.475 14.087 1.00 24.21 C ATOM 2237 NE2 HIS A 132 20.543 -2.633 12.780 1.00 64.31 N ATOM 0 H HIS A 132 19.177 3.569 12.157 1.00 64.14 H new ATOM 0 HA HIS A 132 20.900 1.731 13.667 1.00 55.33 H new ATOM 0 HB2 HIS A 132 18.552 0.921 14.029 1.00 3.11 H new ATOM 0 HB3 HIS A 132 18.380 0.774 12.291 1.00 3.11 H new ATOM 0 HD2 HIS A 132 19.986 -1.328 11.114 1.00 1.03 H new ATOM 0 HE1 HIS A 132 20.809 -3.200 14.822 1.00 24.21 H new ATOM 0 HE2 HIS A 132 20.881 -3.465 12.296 1.00 64.31 H new ATOM 2246 N HIS A 133 22.048 2.160 11.424 1.00 2.43 N ATOM 2247 CA HIS A 133 22.772 2.338 10.147 1.00 25.10 C ATOM 2248 C HIS A 133 22.614 1.107 9.216 1.00 31.43 C ATOM 2249 O HIS A 133 23.366 0.129 9.296 1.00 22.42 O ATOM 2250 CB HIS A 133 24.266 2.721 10.396 1.00 2.40 C ATOM 2251 CG HIS A 133 25.004 1.874 11.408 1.00 23.33 C ATOM 2252 ND1 HIS A 133 25.123 2.237 12.727 1.00 23.31 N ATOM 2253 CD2 HIS A 133 25.688 0.711 11.283 1.00 44.43 C ATOM 2254 CE1 HIS A 133 25.836 1.336 13.366 1.00 23.35 C ATOM 2255 NE2 HIS A 133 26.195 0.402 12.514 1.00 32.51 N ATOM 0 H HIS A 133 22.642 2.276 12.245 1.00 2.43 H new ATOM 0 HA HIS A 133 22.316 3.175 9.618 1.00 25.10 H new ATOM 0 HB2 HIS A 133 24.799 2.665 9.447 1.00 2.40 H new ATOM 0 HB3 HIS A 133 24.305 3.760 10.723 1.00 2.40 H new ATOM 0 HD2 HIS A 133 25.810 0.135 10.378 1.00 44.43 H new ATOM 0 HE1 HIS A 133 26.085 1.360 14.417 1.00 23.35 H new ATOM 0 HE2 HIS A 133 26.759 -0.419 12.735 1.00 32.51 H new ATOM 2264 N HIS A 134 21.573 1.181 8.370 1.00 23.11 N ATOM 2265 CA HIS A 134 21.137 0.107 7.469 1.00 33.13 C ATOM 2266 C HIS A 134 20.022 0.672 6.554 1.00 71.31 C ATOM 2267 O HIS A 134 18.934 1.012 7.082 1.00 61.40 O ATOM 2268 CB HIS A 134 20.622 -1.133 8.270 1.00 21.45 C ATOM 2269 CG HIS A 134 20.177 -2.282 7.395 1.00 43.24 C ATOM 2270 ND1 HIS A 134 18.870 -2.473 6.997 1.00 0.15 N ATOM 2271 CD2 HIS A 134 20.882 -3.298 6.843 1.00 1.32 C ATOM 2272 CE1 HIS A 134 18.796 -3.545 6.237 1.00 72.42 C ATOM 2273 NE2 HIS A 134 20.005 -4.061 6.130 1.00 44.44 N ATOM 2274 OXT HIS A 134 20.225 0.779 5.327 1.00 37.95 O ATOM 0 H HIS A 134 20.995 2.018 8.294 1.00 23.11 H new ATOM 0 HA HIS A 134 21.981 -0.233 6.868 1.00 33.13 H new ATOM 0 HB2 HIS A 134 21.414 -1.480 8.934 1.00 21.45 H new ATOM 0 HB3 HIS A 134 19.789 -0.825 8.902 1.00 21.45 H new ATOM 0 HD2 HIS A 134 21.943 -3.472 6.948 1.00 1.32 H new ATOM 0 HE1 HIS A 134 17.899 -3.935 5.779 1.00 72.42 H new ATOM 0 HE2 HIS A 134 20.246 -4.898 5.599 1.00 44.44 H new TER 2283 HIS A 134