USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 595 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 58 THR OG1 : rot 180:sc= 0.108 USER MOD Set 1.2: A 79 TYR OH : rot 130:sc= -0.159 USER MOD Set 2.1: A 61 MET CE :methyl -131:sc= -0.71 (180deg=-5.15!) USER MOD Set 2.2: A 66 HIS : no HE2:sc= -0.666 K(o=-1.4,f=-2.2) USER MOD Set 3.1: A 25 HIS : no HD1:sc= -0.237 K(o=-0.35,f=-3.8!) USER MOD Set 3.2: A 64 ASN : amide:sc= -0.113 X(o=-0.35,f=-0.77) USER MOD Set 4.1: A 37 ASN : amide:sc= -1.39! C(o=-2!,f=-5.6!) USER MOD Set 4.2: A 42 GLN : amide:sc= -0.614 K(o=-2,f=-3.8) USER MOD Set 5.1: A 11 GLN : amide:sc= -0.0542 X(o=-0.054,f=-0.0051) USER MOD Set 5.2: A 35 MET CE :methyl -178:sc= 0 (180deg=-0.00506) USER MOD Set 6.1: A 28 GLN : amide:sc= 0 X(o=-0.00085,f=-0.21) USER MOD Set 6.2: A 53 HIS : no HE2:sc=-0.000849 X(o=-0.00085,f=-0.21) USER MOD Set 7.1: A 8 MET CE :methyl 170:sc= -0.0107 (180deg=-0.0789) USER MOD Set 7.2: A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -95:sc= 0.237 (180deg=0.00712) USER MOD Single : A 1 SER OG : rot -170:sc= 0.0881 USER MOD Single : A 2 ASN : amide:sc= 0.148 K(o=0.15,f=-1.6) USER MOD Single : A 5 MET CE :methyl 167:sc= -0.394 (180deg=-0.85) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.6) USER MOD Single : A 23 GLN : amide:sc= -0.0864 K(o=-0.086,f=-2.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 43:sc= -0.0791 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -2.5! X(o=-2.5!,f=-2) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.341 K(o=-0.34,f=-6.3!) USER MOD Single : A 73 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.58) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -171:sc= -0.0408 (180deg=-0.15) USER MOD Single : A 78 HIS : no HD1:sc= -0.255 X(o=-0.26,f=-0.065) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.0332 X(o=-0.033,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.871 11.389 -2.805 1.00 14.04 N ATOM 2 CA SER A 1 -4.538 10.115 -2.480 1.00 72.22 C ATOM 3 C SER A 1 -3.999 9.558 -1.158 1.00 42.41 C ATOM 4 O SER A 1 -3.183 10.235 -0.543 1.00 23.32 O ATOM 5 CB SER A 1 -4.386 9.150 -3.654 1.00 63.11 C ATOM 6 OG SER A 1 -4.636 9.831 -4.873 1.00 65.40 O ATOM 0 H1 SER A 1 -4.452 12.182 -2.466 1.00 14.04 H new ATOM 0 H2 SER A 1 -2.939 11.421 -2.344 1.00 14.04 H new ATOM 0 H3 SER A 1 -3.750 11.465 -3.835 1.00 14.04 H new ATOM 0 HA SER A 1 -5.606 10.270 -2.330 1.00 72.22 H new ATOM 0 HB2 SER A 1 -3.381 8.729 -3.662 1.00 63.11 H new ATOM 0 HB3 SER A 1 -5.080 8.317 -3.544 1.00 63.11 H new ATOM 0 HG SER A 1 -4.693 9.182 -5.605 1.00 65.40 H new ATOM 11 N ASN A 2 -4.437 8.382 -0.678 1.00 50.43 N ATOM 12 CA ASN A 2 -4.056 7.847 0.644 1.00 32.15 C ATOM 13 C ASN A 2 -3.858 6.326 0.687 1.00 42.00 C ATOM 14 O ASN A 2 -3.769 5.766 1.775 1.00 51.20 O ATOM 15 CB ASN A 2 -5.073 8.251 1.726 1.00 71.11 C ATOM 16 CG ASN A 2 -6.392 7.502 1.584 1.00 31.51 C ATOM 17 OD1 ASN A 2 -6.941 7.421 0.484 1.00 73.11 O ATOM 18 ND2 ASN A 2 -6.903 6.959 2.672 1.00 33.24 N ATOM 0 H ASN A 2 -5.068 7.772 -1.197 1.00 50.43 H new ATOM 0 HA ASN A 2 -3.084 8.298 0.846 1.00 32.15 H new ATOM 0 HB2 ASN A 2 -4.650 8.055 2.711 1.00 71.11 H new ATOM 0 HB3 ASN A 2 -5.258 9.324 1.666 1.00 71.11 H new ATOM 0 HD21 ASN A 2 -7.785 6.449 2.621 1.00 33.24 H new ATOM 0 HD22 ASN A 2 -6.416 7.049 3.564 1.00 33.24 H new ATOM 24 N ILE A 3 -3.768 5.643 -0.453 1.00 51.00 N ATOM 25 CA ILE A 3 -3.348 4.242 -0.516 1.00 1.03 C ATOM 26 C ILE A 3 -2.080 4.186 -1.355 1.00 33.35 C ATOM 27 O ILE A 3 -2.073 4.769 -2.444 1.00 73.21 O ATOM 28 CB ILE A 3 -4.481 3.340 -1.059 1.00 63.40 C ATOM 29 CG1 ILE A 3 -5.605 3.249 -0.006 1.00 22.52 C ATOM 30 CG2 ILE A 3 -3.978 1.938 -1.457 1.00 3.41 C ATOM 31 CD1 ILE A 3 -6.829 2.440 -0.442 1.00 5.41 C ATOM 0 H ILE A 3 -3.985 6.047 -1.364 1.00 51.00 H new ATOM 0 HA ILE A 3 -3.133 3.852 0.479 1.00 1.03 H new ATOM 0 HB ILE A 3 -4.870 3.793 -1.971 1.00 63.40 H new ATOM 0 HG12 ILE A 3 -5.198 2.804 0.902 1.00 22.52 H new ATOM 0 HG13 ILE A 3 -5.927 4.259 0.250 1.00 22.52 H new ATOM 0 HG21 ILE A 3 -4.812 1.345 -1.832 1.00 3.41 H new ATOM 0 HG22 ILE A 3 -3.220 2.031 -2.235 1.00 3.41 H new ATOM 0 HG23 ILE A 3 -3.545 1.446 -0.586 1.00 3.41 H new ATOM 0 HD11 ILE A 3 -7.565 2.432 0.362 1.00 5.41 H new ATOM 0 HD12 ILE A 3 -7.267 2.894 -1.331 1.00 5.41 H new ATOM 0 HD13 ILE A 3 -6.527 1.417 -0.668 1.00 5.41 H new ATOM 42 N VAL A 4 -1.048 3.473 -0.893 1.00 31.55 N ATOM 43 CA VAL A 4 0.240 3.408 -1.588 1.00 74.42 C ATOM 44 C VAL A 4 0.466 1.945 -1.972 1.00 21.21 C ATOM 45 O VAL A 4 1.238 1.215 -1.349 1.00 52.21 O ATOM 46 CB VAL A 4 1.353 4.067 -0.740 1.00 45.22 C ATOM 47 CG1 VAL A 4 2.622 4.229 -1.579 1.00 42.01 C ATOM 48 CG2 VAL A 4 0.914 5.423 -0.163 1.00 31.11 C ATOM 0 H VAL A 4 -1.082 2.928 -0.032 1.00 31.55 H new ATOM 0 HA VAL A 4 0.254 3.989 -2.510 1.00 74.42 H new ATOM 0 HB VAL A 4 1.559 3.409 0.105 1.00 45.22 H new ATOM 0 HG11 VAL A 4 3.401 4.694 -0.975 1.00 42.01 H new ATOM 0 HG12 VAL A 4 2.961 3.250 -1.918 1.00 42.01 H new ATOM 0 HG13 VAL A 4 2.409 4.859 -2.443 1.00 42.01 H new ATOM 0 HG21 VAL A 4 1.727 5.849 0.425 1.00 31.11 H new ATOM 0 HG22 VAL A 4 0.662 6.101 -0.978 1.00 31.11 H new ATOM 0 HG23 VAL A 4 0.041 5.282 0.474 1.00 31.11 H new ATOM 58 N MET A 5 -0.299 1.488 -2.959 1.00 54.14 N ATOM 59 CA MET A 5 -0.311 0.112 -3.430 1.00 54.13 C ATOM 60 C MET A 5 1.070 -0.213 -3.969 1.00 12.11 C ATOM 61 O MET A 5 1.548 0.478 -4.869 1.00 63.52 O ATOM 62 CB MET A 5 -1.409 -0.049 -4.484 1.00 63.43 C ATOM 63 CG MET A 5 -1.410 -1.373 -5.259 1.00 54.03 C ATOM 64 SD MET A 5 -0.520 -1.306 -6.839 1.00 42.42 S ATOM 65 CE MET A 5 -1.104 -2.835 -7.617 1.00 73.52 C ATOM 0 H MET A 5 -0.948 2.088 -3.468 1.00 54.14 H new ATOM 0 HA MET A 5 -0.535 -0.588 -2.625 1.00 54.13 H new ATOM 0 HB2 MET A 5 -2.376 0.062 -3.993 1.00 63.43 H new ATOM 0 HB3 MET A 5 -1.320 0.768 -5.200 1.00 63.43 H new ATOM 0 HG2 MET A 5 -0.964 -2.147 -4.635 1.00 54.03 H new ATOM 0 HG3 MET A 5 -2.441 -1.671 -5.447 1.00 54.03 H new ATOM 0 HE1 MET A 5 -0.838 -2.830 -8.674 1.00 73.52 H new ATOM 0 HE2 MET A 5 -0.639 -3.692 -7.129 1.00 73.52 H new ATOM 0 HE3 MET A 5 -2.187 -2.904 -7.516 1.00 73.52 H new ATOM 73 N LEU A 6 1.723 -1.207 -3.370 1.00 43.41 N ATOM 74 CA LEU A 6 3.049 -1.633 -3.789 1.00 10.31 C ATOM 75 C LEU A 6 2.897 -2.775 -4.786 1.00 21.15 C ATOM 76 O LEU A 6 2.011 -3.608 -4.614 1.00 72.34 O ATOM 77 CB LEU A 6 3.879 -2.109 -2.591 1.00 72.40 C ATOM 78 CG LEU A 6 4.136 -1.108 -1.455 1.00 3.42 C ATOM 79 CD1 LEU A 6 5.145 -1.702 -0.468 1.00 44.04 C ATOM 80 CD2 LEU A 6 4.616 0.245 -1.968 1.00 33.13 C ATOM 0 H LEU A 6 1.346 -1.736 -2.583 1.00 43.41 H new ATOM 0 HA LEU A 6 3.566 -0.789 -4.246 1.00 10.31 H new ATOM 0 HB2 LEU A 6 3.382 -2.980 -2.164 1.00 72.40 H new ATOM 0 HB3 LEU A 6 4.846 -2.446 -2.966 1.00 72.40 H new ATOM 0 HG LEU A 6 3.188 -0.929 -0.948 1.00 3.42 H new ATOM 0 HD11 LEU A 6 5.327 -0.991 0.338 1.00 44.04 H new ATOM 0 HD12 LEU A 6 4.746 -2.627 -0.053 1.00 44.04 H new ATOM 0 HD13 LEU A 6 6.081 -1.911 -0.986 1.00 44.04 H new ATOM 0 HD21 LEU A 6 4.783 0.915 -1.125 1.00 33.13 H new ATOM 0 HD22 LEU A 6 5.548 0.116 -2.519 1.00 33.13 H new ATOM 0 HD23 LEU A 6 3.861 0.673 -2.628 1.00 33.13 H new ATOM 91 N ARG A 7 3.783 -2.885 -5.776 1.00 32.31 N ATOM 92 CA ARG A 7 3.840 -3.987 -6.752 1.00 65.22 C ATOM 93 C ARG A 7 5.182 -4.710 -6.649 1.00 11.12 C ATOM 94 O ARG A 7 6.041 -4.294 -5.884 1.00 64.44 O ATOM 95 CB ARG A 7 3.606 -3.410 -8.163 1.00 1.31 C ATOM 96 CG ARG A 7 2.109 -3.312 -8.492 1.00 71.23 C ATOM 97 CD ARG A 7 1.641 -4.385 -9.484 1.00 2.01 C ATOM 98 NE ARG A 7 1.817 -5.758 -8.978 1.00 61.33 N ATOM 99 CZ ARG A 7 1.845 -6.849 -9.755 1.00 25.24 C ATOM 100 NH1 ARG A 7 1.534 -6.774 -11.046 1.00 10.01 N ATOM 101 NH2 ARG A 7 2.187 -8.021 -9.231 1.00 31.55 N ATOM 0 H ARG A 7 4.510 -2.186 -5.931 1.00 32.31 H new ATOM 0 HA ARG A 7 3.062 -4.721 -6.543 1.00 65.22 H new ATOM 0 HB2 ARG A 7 4.060 -2.421 -8.232 1.00 1.31 H new ATOM 0 HB3 ARG A 7 4.101 -4.041 -8.901 1.00 1.31 H new ATOM 0 HG2 ARG A 7 1.534 -3.401 -7.571 1.00 71.23 H new ATOM 0 HG3 ARG A 7 1.897 -2.326 -8.905 1.00 71.23 H new ATOM 0 HD2 ARG A 7 0.589 -4.222 -9.716 1.00 2.01 H new ATOM 0 HD3 ARG A 7 2.194 -4.275 -10.417 1.00 2.01 H new ATOM 0 HE ARG A 7 1.924 -5.886 -7.972 1.00 61.33 H new ATOM 0 HH11 ARG A 7 1.270 -5.878 -11.456 1.00 10.01 H new ATOM 0 HH12 ARG A 7 1.559 -7.612 -11.626 1.00 10.01 H new ATOM 0 HH21 ARG A 7 2.427 -8.087 -8.242 1.00 31.55 H new ATOM 0 HH22 ARG A 7 2.210 -8.855 -9.818 1.00 31.55 H new ATOM 112 N MET A 8 5.386 -5.782 -7.417 1.00 65.52 N ATOM 113 CA MET A 8 6.668 -6.491 -7.508 1.00 5.01 C ATOM 114 C MET A 8 7.139 -7.132 -6.183 1.00 50.04 C ATOM 115 O MET A 8 8.318 -7.443 -6.029 1.00 43.11 O ATOM 116 CB MET A 8 7.751 -5.570 -8.111 1.00 2.15 C ATOM 117 CG MET A 8 7.305 -4.758 -9.332 1.00 4.15 C ATOM 118 SD MET A 8 8.595 -4.330 -10.531 1.00 44.40 S ATOM 119 CE MET A 8 9.304 -2.857 -9.757 1.00 70.30 C ATOM 0 H MET A 8 4.656 -6.189 -8.002 1.00 65.52 H new ATOM 0 HA MET A 8 6.500 -7.334 -8.179 1.00 5.01 H new ATOM 0 HB2 MET A 8 8.090 -4.880 -7.339 1.00 2.15 H new ATOM 0 HB3 MET A 8 8.609 -6.180 -8.393 1.00 2.15 H new ATOM 0 HG2 MET A 8 6.529 -5.320 -9.851 1.00 4.15 H new ATOM 0 HG3 MET A 8 6.847 -3.834 -8.979 1.00 4.15 H new ATOM 0 HE1 MET A 8 10.220 -2.578 -10.277 1.00 70.30 H new ATOM 0 HE2 MET A 8 8.589 -2.036 -9.815 1.00 70.30 H new ATOM 0 HE3 MET A 8 9.530 -3.068 -8.712 1.00 70.30 H new ATOM 127 N LEU A 9 6.251 -7.333 -5.207 1.00 31.41 N ATOM 128 CA LEU A 9 6.602 -7.783 -3.854 1.00 1.21 C ATOM 129 C LEU A 9 7.224 -9.189 -3.808 1.00 32.13 C ATOM 130 O LEU A 9 6.817 -10.056 -4.588 1.00 50.13 O ATOM 131 CB LEU A 9 5.330 -7.777 -2.986 1.00 21.34 C ATOM 132 CG LEU A 9 5.222 -6.553 -2.073 1.00 62.24 C ATOM 133 CD1 LEU A 9 5.201 -5.224 -2.819 1.00 51.42 C ATOM 134 CD2 LEU A 9 3.977 -6.657 -1.196 1.00 41.03 C ATOM 0 H LEU A 9 5.250 -7.186 -5.335 1.00 31.41 H new ATOM 0 HA LEU A 9 7.358 -7.093 -3.479 1.00 1.21 H new ATOM 0 HB2 LEU A 9 4.456 -7.814 -3.636 1.00 21.34 H new ATOM 0 HB3 LEU A 9 5.312 -8.679 -2.375 1.00 21.34 H new ATOM 0 HG LEU A 9 6.126 -6.558 -1.464 1.00 62.24 H new ATOM 0 HD11 LEU A 9 5.123 -4.406 -2.103 1.00 51.42 H new ATOM 0 HD12 LEU A 9 6.120 -5.116 -3.395 1.00 51.42 H new ATOM 0 HD13 LEU A 9 4.345 -5.199 -3.493 1.00 51.42 H new ATOM 0 HD21 LEU A 9 3.912 -5.780 -0.551 1.00 41.03 H new ATOM 0 HD22 LEU A 9 3.090 -6.710 -1.828 1.00 41.03 H new ATOM 0 HD23 LEU A 9 4.039 -7.555 -0.582 1.00 41.03 H new ATOM 145 N PRO A 10 8.139 -9.453 -2.852 1.00 52.22 N ATOM 146 CA PRO A 10 8.517 -10.803 -2.462 1.00 73.31 C ATOM 147 C PRO A 10 7.442 -11.438 -1.582 1.00 22.33 C ATOM 148 O PRO A 10 6.533 -10.770 -1.093 1.00 54.41 O ATOM 149 CB PRO A 10 9.810 -10.652 -1.667 1.00 1.45 C ATOM 150 CG PRO A 10 9.667 -9.281 -1.015 1.00 52.14 C ATOM 151 CD PRO A 10 8.788 -8.483 -1.978 1.00 13.12 C ATOM 0 HA PRO A 10 8.639 -11.446 -3.334 1.00 73.31 H new ATOM 0 HB2 PRO A 10 9.919 -11.441 -0.923 1.00 1.45 H new ATOM 0 HB3 PRO A 10 10.687 -10.700 -2.313 1.00 1.45 H new ATOM 0 HG2 PRO A 10 9.207 -9.357 -0.030 1.00 52.14 H new ATOM 0 HG3 PRO A 10 10.638 -8.805 -0.878 1.00 52.14 H new ATOM 0 HD2 PRO A 10 8.048 -7.898 -1.432 1.00 13.12 H new ATOM 0 HD3 PRO A 10 9.387 -7.780 -2.557 1.00 13.12 H new ATOM 156 N GLN A 11 7.621 -12.725 -1.294 1.00 43.31 N ATOM 157 CA GLN A 11 6.732 -13.507 -0.438 1.00 22.24 C ATOM 158 C GLN A 11 7.325 -13.682 0.972 1.00 2.25 C ATOM 159 O GLN A 11 6.623 -14.110 1.893 1.00 24.54 O ATOM 160 CB GLN A 11 6.437 -14.838 -1.151 1.00 72.13 C ATOM 161 CG GLN A 11 5.403 -15.759 -0.479 1.00 70.21 C ATOM 162 CD GLN A 11 3.957 -15.298 -0.641 1.00 61.51 C ATOM 163 OE1 GLN A 11 3.207 -15.882 -1.417 1.00 74.10 O ATOM 164 NE2 GLN A 11 3.503 -14.295 0.090 1.00 70.44 N ATOM 0 H GLN A 11 8.406 -13.266 -1.657 1.00 43.31 H new ATOM 0 HA GLN A 11 5.788 -12.985 -0.281 1.00 22.24 H new ATOM 0 HB2 GLN A 11 6.092 -14.616 -2.161 1.00 72.13 H new ATOM 0 HB3 GLN A 11 7.373 -15.388 -1.248 1.00 72.13 H new ATOM 0 HG2 GLN A 11 5.502 -16.762 -0.895 1.00 70.21 H new ATOM 0 HG3 GLN A 11 5.633 -15.830 0.584 1.00 70.21 H new ATOM 0 HE21 GLN A 11 4.127 -13.810 0.735 1.00 70.44 H new ATOM 0 HE22 GLN A 11 2.528 -14.006 0.010 1.00 70.44 H new ATOM 171 N ALA A 12 8.597 -13.332 1.180 1.00 72.40 N ATOM 172 CA ALA A 12 9.202 -13.282 2.506 1.00 44.21 C ATOM 173 C ALA A 12 8.956 -11.934 3.205 1.00 1.25 C ATOM 174 O ALA A 12 9.187 -11.844 4.409 1.00 45.12 O ATOM 175 CB ALA A 12 10.688 -13.635 2.398 1.00 70.21 C ATOM 0 H ALA A 12 9.236 -13.075 0.428 1.00 72.40 H new ATOM 0 HA ALA A 12 8.722 -14.024 3.144 1.00 44.21 H new ATOM 0 HB1 ALA A 12 11.143 -13.599 3.388 1.00 70.21 H new ATOM 0 HB2 ALA A 12 10.795 -14.639 1.986 1.00 70.21 H new ATOM 0 HB3 ALA A 12 11.185 -12.919 1.743 1.00 70.21 H new ATOM 181 N ALA A 13 8.437 -10.907 2.515 1.00 63.54 N ATOM 182 CA ALA A 13 7.947 -9.707 3.195 1.00 33.41 C ATOM 183 C ALA A 13 6.734 -10.075 4.053 1.00 52.30 C ATOM 184 O ALA A 13 5.979 -10.988 3.696 1.00 12.31 O ATOM 185 CB ALA A 13 7.545 -8.631 2.179 1.00 74.41 C ATOM 0 H ALA A 13 8.348 -10.886 1.499 1.00 63.54 H new ATOM 0 HA ALA A 13 8.745 -9.310 3.823 1.00 33.41 H new ATOM 0 HB1 ALA A 13 7.184 -7.749 2.707 1.00 74.41 H new ATOM 0 HB2 ALA A 13 8.410 -8.362 1.572 1.00 74.41 H new ATOM 0 HB3 ALA A 13 6.755 -9.016 1.534 1.00 74.41 H new ATOM 191 N THR A 14 6.477 -9.321 5.116 1.00 64.40 N ATOM 192 CA THR A 14 5.307 -9.469 5.973 1.00 74.50 C ATOM 193 C THR A 14 4.639 -8.110 6.146 1.00 65.14 C ATOM 194 O THR A 14 5.165 -7.095 5.685 1.00 41.30 O ATOM 195 CB THR A 14 5.727 -10.121 7.304 1.00 21.31 C ATOM 196 OG1 THR A 14 6.797 -9.415 7.901 1.00 65.50 O ATOM 197 CG2 THR A 14 6.151 -11.569 7.080 1.00 22.55 C ATOM 0 H THR A 14 7.096 -8.567 5.414 1.00 64.40 H new ATOM 0 HA THR A 14 4.568 -10.130 5.521 1.00 74.50 H new ATOM 0 HB THR A 14 4.865 -10.091 7.970 1.00 21.31 H new ATOM 0 HG1 THR A 14 7.044 -9.848 8.745 1.00 65.50 H new ATOM 0 HG21 THR A 14 6.444 -12.014 8.031 1.00 22.55 H new ATOM 0 HG22 THR A 14 5.318 -12.131 6.658 1.00 22.55 H new ATOM 0 HG23 THR A 14 6.994 -11.599 6.390 1.00 22.55 H new ATOM 205 N GLU A 15 3.461 -8.074 6.778 1.00 22.15 N ATOM 206 CA GLU A 15 2.764 -6.823 7.053 1.00 4.04 C ATOM 207 C GLU A 15 3.673 -5.878 7.817 1.00 65.10 C ATOM 208 O GLU A 15 3.659 -4.667 7.603 1.00 5.12 O ATOM 209 CB GLU A 15 1.506 -7.116 7.883 1.00 14.33 C ATOM 210 CG GLU A 15 0.396 -6.107 7.600 1.00 10.21 C ATOM 211 CD GLU A 15 -0.955 -6.485 8.231 1.00 53.42 C ATOM 212 OE1 GLU A 15 -1.503 -7.578 7.942 1.00 1.25 O ATOM 213 OE2 GLU A 15 -1.500 -5.681 9.021 1.00 4.14 O ATOM 0 H GLU A 15 2.971 -8.905 7.109 1.00 22.15 H new ATOM 0 HA GLU A 15 2.480 -6.354 6.111 1.00 4.04 H new ATOM 0 HB2 GLU A 15 1.149 -8.122 7.661 1.00 14.33 H new ATOM 0 HB3 GLU A 15 1.756 -7.094 8.944 1.00 14.33 H new ATOM 0 HG2 GLU A 15 0.701 -5.129 7.973 1.00 10.21 H new ATOM 0 HG3 GLU A 15 0.270 -6.011 6.522 1.00 10.21 H new ATOM 218 N ASP A 16 4.487 -6.461 8.693 1.00 73.50 N ATOM 219 CA ASP A 16 5.348 -5.694 9.545 1.00 41.13 C ATOM 220 C ASP A 16 6.515 -5.060 8.785 1.00 73.52 C ATOM 221 O ASP A 16 7.115 -4.100 9.266 1.00 52.30 O ATOM 222 CB ASP A 16 5.863 -6.556 10.683 1.00 65.14 C ATOM 223 CG ASP A 16 6.399 -5.654 11.783 1.00 65.22 C ATOM 224 OD1 ASP A 16 5.573 -4.958 12.421 1.00 43.11 O ATOM 225 OD2 ASP A 16 7.604 -5.770 12.108 1.00 64.12 O ATOM 0 H ASP A 16 4.558 -7.470 8.821 1.00 73.50 H new ATOM 0 HA ASP A 16 4.752 -4.876 9.950 1.00 41.13 H new ATOM 0 HB2 ASP A 16 5.062 -7.187 11.070 1.00 65.14 H new ATOM 0 HB3 ASP A 16 6.649 -7.222 10.326 1.00 65.14 H new ATOM 229 N ASP A 17 6.813 -5.568 7.582 1.00 13.45 N ATOM 230 CA ASP A 17 7.830 -4.988 6.711 1.00 13.44 C ATOM 231 C ASP A 17 7.420 -3.564 6.354 1.00 45.32 C ATOM 232 O ASP A 17 8.122 -2.606 6.672 1.00 3.04 O ATOM 233 CB ASP A 17 8.078 -5.805 5.438 1.00 43.00 C ATOM 234 CG ASP A 17 9.459 -5.447 4.908 1.00 24.33 C ATOM 235 OD1 ASP A 17 9.721 -4.259 4.623 1.00 64.53 O ATOM 236 OD2 ASP A 17 10.318 -6.358 4.873 1.00 14.23 O ATOM 0 H ASP A 17 6.354 -6.391 7.191 1.00 13.45 H new ATOM 0 HA ASP A 17 8.772 -4.992 7.259 1.00 13.44 H new ATOM 0 HB2 ASP A 17 8.018 -6.872 5.653 1.00 43.00 H new ATOM 0 HB3 ASP A 17 7.315 -5.586 4.691 1.00 43.00 H new ATOM 240 N ILE A 18 6.214 -3.415 5.793 1.00 14.41 N ATOM 241 CA ILE A 18 5.662 -2.104 5.477 1.00 2.42 C ATOM 242 C ILE A 18 5.589 -1.279 6.769 1.00 64.12 C ATOM 243 O ILE A 18 5.975 -0.114 6.745 1.00 54.02 O ATOM 244 CB ILE A 18 4.312 -2.216 4.727 1.00 11.21 C ATOM 245 CG1 ILE A 18 4.509 -2.940 3.374 1.00 73.43 C ATOM 246 CG2 ILE A 18 3.692 -0.820 4.486 1.00 65.40 C ATOM 247 CD1 ILE A 18 3.193 -3.252 2.649 1.00 41.24 C ATOM 0 H ILE A 18 5.603 -4.195 5.550 1.00 14.41 H new ATOM 0 HA ILE A 18 6.316 -1.578 4.782 1.00 2.42 H new ATOM 0 HB ILE A 18 3.630 -2.794 5.350 1.00 11.21 H new ATOM 0 HG12 ILE A 18 5.133 -2.322 2.728 1.00 73.43 H new ATOM 0 HG13 ILE A 18 5.050 -3.871 3.544 1.00 73.43 H new ATOM 0 HG21 ILE A 18 2.745 -0.929 3.958 1.00 65.40 H new ATOM 0 HG22 ILE A 18 3.519 -0.328 5.443 1.00 65.40 H new ATOM 0 HG23 ILE A 18 4.375 -0.217 3.887 1.00 65.40 H new ATOM 0 HD11 ILE A 18 3.407 -3.759 1.708 1.00 41.24 H new ATOM 0 HD12 ILE A 18 2.576 -3.895 3.276 1.00 41.24 H new ATOM 0 HD13 ILE A 18 2.660 -2.323 2.447 1.00 41.24 H new ATOM 258 N ARG A 19 5.157 -1.859 7.899 1.00 73.54 N ATOM 259 CA ARG A 19 5.052 -1.108 9.158 1.00 10.41 C ATOM 260 C ARG A 19 6.386 -0.454 9.529 1.00 52.01 C ATOM 261 O ARG A 19 6.393 0.719 9.916 1.00 62.40 O ATOM 262 CB ARG A 19 4.473 -1.953 10.293 1.00 34.55 C ATOM 263 CG ARG A 19 2.997 -2.281 10.015 1.00 1.12 C ATOM 264 CD ARG A 19 2.489 -3.332 10.995 1.00 2.24 C ATOM 265 NE ARG A 19 1.979 -2.758 12.250 1.00 30.13 N ATOM 266 CZ ARG A 19 2.526 -2.820 13.471 1.00 24.54 C ATOM 267 NH1 ARG A 19 3.733 -3.343 13.688 1.00 51.13 N ATOM 268 NH2 ARG A 19 1.844 -2.352 14.510 1.00 54.44 N ATOM 0 H ARG A 19 4.877 -2.837 7.967 1.00 73.54 H new ATOM 0 HA ARG A 19 4.337 -0.301 8.996 1.00 10.41 H new ATOM 0 HB2 ARG A 19 5.044 -2.876 10.397 1.00 34.55 H new ATOM 0 HB3 ARG A 19 4.562 -1.416 11.237 1.00 34.55 H new ATOM 0 HG2 ARG A 19 2.395 -1.376 10.099 1.00 1.12 H new ATOM 0 HG3 ARG A 19 2.885 -2.644 8.993 1.00 1.12 H new ATOM 0 HD2 ARG A 19 1.697 -3.910 10.519 1.00 2.24 H new ATOM 0 HD3 ARG A 19 3.297 -4.027 11.223 1.00 2.24 H new ATOM 0 HE ARG A 19 1.098 -2.249 12.182 1.00 30.13 H new ATOM 0 HH11 ARG A 19 4.275 -3.715 12.908 1.00 51.13 H new ATOM 0 HH12 ARG A 19 4.114 -3.371 14.634 1.00 51.13 H new ATOM 0 HH21 ARG A 19 0.916 -1.952 14.372 1.00 54.44 H new ATOM 0 HH22 ARG A 19 2.248 -2.393 15.446 1.00 54.44 H new ATOM 279 N GLY A 20 7.499 -1.171 9.387 1.00 61.51 N ATOM 280 CA GLY A 20 8.828 -0.639 9.642 1.00 25.13 C ATOM 281 C GLY A 20 9.264 0.355 8.571 1.00 2.14 C ATOM 282 O GLY A 20 9.841 1.388 8.911 1.00 65.22 O ATOM 0 H GLY A 20 7.499 -2.146 9.089 1.00 61.51 H new ATOM 0 HA2 GLY A 20 8.841 -0.150 10.616 1.00 25.13 H new ATOM 0 HA3 GLY A 20 9.544 -1.460 9.687 1.00 25.13 H new ATOM 286 N GLN A 21 8.957 0.105 7.293 1.00 31.25 N ATOM 287 CA GLN A 21 9.345 0.977 6.191 1.00 41.12 C ATOM 288 C GLN A 21 8.773 2.371 6.413 1.00 21.51 C ATOM 289 O GLN A 21 9.481 3.366 6.259 1.00 73.11 O ATOM 290 CB GLN A 21 8.836 0.438 4.844 1.00 34.12 C ATOM 291 CG GLN A 21 9.708 -0.662 4.220 1.00 2.32 C ATOM 292 CD GLN A 21 10.302 -0.187 2.897 1.00 25.24 C ATOM 293 OE1 GLN A 21 9.773 -0.463 1.833 1.00 33.32 O ATOM 294 NE2 GLN A 21 11.367 0.596 2.910 1.00 44.34 N ATOM 0 H GLN A 21 8.428 -0.716 6.998 1.00 31.25 H new ATOM 0 HA GLN A 21 10.434 1.014 6.162 1.00 41.12 H new ATOM 0 HB2 GLN A 21 7.828 0.048 4.982 1.00 34.12 H new ATOM 0 HB3 GLN A 21 8.763 1.268 4.141 1.00 34.12 H new ATOM 0 HG2 GLN A 21 10.509 -0.934 4.908 1.00 2.32 H new ATOM 0 HG3 GLN A 21 9.110 -1.559 4.056 1.00 2.32 H new ATOM 0 HE21 GLN A 21 11.816 0.832 3.795 1.00 44.34 H new ATOM 0 HE22 GLN A 21 11.740 0.964 2.035 1.00 44.34 H new ATOM 301 N LEU A 22 7.495 2.464 6.791 1.00 41.02 N ATOM 302 CA LEU A 22 6.875 3.767 6.964 1.00 70.11 C ATOM 303 C LEU A 22 7.554 4.492 8.123 1.00 21.54 C ATOM 304 O LEU A 22 7.800 5.691 8.022 1.00 44.01 O ATOM 305 CB LEU A 22 5.353 3.711 7.169 1.00 2.21 C ATOM 306 CG LEU A 22 4.561 2.669 6.363 1.00 50.31 C ATOM 307 CD1 LEU A 22 3.686 1.906 7.362 1.00 13.44 C ATOM 308 CD2 LEU A 22 3.755 3.329 5.253 1.00 61.40 C ATOM 0 H LEU A 22 6.886 1.667 6.978 1.00 41.02 H new ATOM 0 HA LEU A 22 7.018 4.318 6.034 1.00 70.11 H new ATOM 0 HB2 LEU A 22 5.164 3.531 8.227 1.00 2.21 H new ATOM 0 HB3 LEU A 22 4.947 4.695 6.935 1.00 2.21 H new ATOM 0 HG LEU A 22 5.227 1.972 5.854 1.00 50.31 H new ATOM 0 HD11 LEU A 22 3.103 1.152 6.833 1.00 13.44 H new ATOM 0 HD12 LEU A 22 4.320 1.420 8.104 1.00 13.44 H new ATOM 0 HD13 LEU A 22 3.012 2.602 7.861 1.00 13.44 H new ATOM 0 HD21 LEU A 22 3.205 2.567 4.700 1.00 61.40 H new ATOM 0 HD22 LEU A 22 3.052 4.040 5.687 1.00 61.40 H new ATOM 0 HD23 LEU A 22 4.430 3.853 4.576 1.00 61.40 H new ATOM 319 N GLN A 23 7.914 3.786 9.200 1.00 63.42 N ATOM 320 CA GLN A 23 8.652 4.375 10.313 1.00 74.40 C ATOM 321 C GLN A 23 10.081 4.789 9.946 1.00 52.33 C ATOM 322 O GLN A 23 10.637 5.632 10.650 1.00 30.32 O ATOM 323 CB GLN A 23 8.634 3.439 11.533 1.00 70.20 C ATOM 324 CG GLN A 23 7.490 3.799 12.487 1.00 52.13 C ATOM 325 CD GLN A 23 7.858 4.986 13.382 1.00 53.22 C ATOM 326 OE1 GLN A 23 7.961 6.131 12.947 1.00 24.14 O ATOM 327 NE2 GLN A 23 8.055 4.761 14.666 1.00 32.32 N ATOM 0 H GLN A 23 7.702 2.796 9.321 1.00 63.42 H new ATOM 0 HA GLN A 23 8.135 5.299 10.573 1.00 74.40 H new ATOM 0 HB2 GLN A 23 8.524 2.406 11.202 1.00 70.20 H new ATOM 0 HB3 GLN A 23 9.586 3.505 12.060 1.00 70.20 H new ATOM 0 HG2 GLN A 23 6.597 4.040 11.911 1.00 52.13 H new ATOM 0 HG3 GLN A 23 7.247 2.936 13.107 1.00 52.13 H new ATOM 0 HE21 GLN A 23 7.972 3.814 15.037 1.00 32.32 H new ATOM 0 HE22 GLN A 23 8.291 5.534 15.289 1.00 32.32 H new ATOM 334 N SER A 24 10.662 4.318 8.839 1.00 2.42 N ATOM 335 CA SER A 24 11.908 4.879 8.324 1.00 12.43 C ATOM 336 C SER A 24 11.691 6.339 7.884 1.00 61.32 C ATOM 337 O SER A 24 12.585 7.174 8.037 1.00 71.42 O ATOM 338 CB SER A 24 12.430 3.989 7.188 1.00 52.12 C ATOM 339 OG SER A 24 13.779 4.265 6.871 1.00 32.11 O ATOM 0 H SER A 24 10.287 3.549 8.284 1.00 2.42 H new ATOM 0 HA SER A 24 12.667 4.898 9.106 1.00 12.43 H new ATOM 0 HB2 SER A 24 12.333 2.942 7.475 1.00 52.12 H new ATOM 0 HB3 SER A 24 11.813 4.135 6.301 1.00 52.12 H new ATOM 0 HG SER A 24 14.072 3.676 6.145 1.00 32.11 H new ATOM 344 N HIS A 25 10.496 6.678 7.384 1.00 44.11 N ATOM 345 CA HIS A 25 10.103 8.048 7.048 1.00 25.41 C ATOM 346 C HIS A 25 9.393 8.735 8.217 1.00 53.34 C ATOM 347 O HIS A 25 9.189 9.948 8.173 1.00 52.22 O ATOM 348 CB HIS A 25 9.155 8.015 5.846 1.00 44.04 C ATOM 349 CG HIS A 25 9.808 7.565 4.574 1.00 11.32 C ATOM 350 ND1 HIS A 25 10.011 8.345 3.460 1.00 24.34 N ATOM 351 CD2 HIS A 25 10.224 6.296 4.292 1.00 45.01 C ATOM 352 CE1 HIS A 25 10.572 7.562 2.523 1.00 5.24 C ATOM 353 NE2 HIS A 25 10.712 6.309 2.986 1.00 21.22 N ATOM 0 H HIS A 25 9.763 5.993 7.199 1.00 44.11 H new ATOM 0 HA HIS A 25 11.007 8.612 6.817 1.00 25.41 H new ATOM 0 HB2 HIS A 25 8.321 7.350 6.071 1.00 44.04 H new ATOM 0 HB3 HIS A 25 8.737 9.011 5.697 1.00 44.04 H new ATOM 0 HD2 HIS A 25 10.183 5.444 4.954 1.00 45.01 H new ATOM 0 HE1 HIS A 25 10.868 7.893 1.538 1.00 5.24 H new ATOM 0 HE2 HIS A 25 11.102 5.516 2.477 1.00 21.22 H new ATOM 360 N GLY A 26 9.000 7.973 9.237 1.00 12.01 N ATOM 361 CA GLY A 26 8.297 8.434 10.416 1.00 10.02 C ATOM 362 C GLY A 26 6.774 8.342 10.314 1.00 54.24 C ATOM 363 O GLY A 26 6.095 8.812 11.233 1.00 31.54 O ATOM 0 H GLY A 26 9.176 6.968 9.257 1.00 12.01 H new ATOM 0 HA2 GLY A 26 8.628 7.850 11.274 1.00 10.02 H new ATOM 0 HA3 GLY A 26 8.575 9.470 10.609 1.00 10.02 H new ATOM 367 N VAL A 27 6.220 7.786 9.231 1.00 73.40 N ATOM 368 CA VAL A 27 4.781 7.817 8.985 1.00 51.40 C ATOM 369 C VAL A 27 4.088 6.806 9.921 1.00 34.33 C ATOM 370 O VAL A 27 4.706 5.877 10.452 1.00 32.34 O ATOM 371 CB VAL A 27 4.430 7.476 7.517 1.00 65.12 C ATOM 372 CG1 VAL A 27 3.100 8.107 7.069 1.00 22.51 C ATOM 373 CG2 VAL A 27 5.522 7.700 6.459 1.00 5.04 C ATOM 0 H VAL A 27 6.755 7.306 8.507 1.00 73.40 H new ATOM 0 HA VAL A 27 4.432 8.831 9.181 1.00 51.40 H new ATOM 0 HB VAL A 27 4.328 6.392 7.560 1.00 65.12 H new ATOM 0 HG11 VAL A 27 2.900 7.837 6.032 1.00 22.51 H new ATOM 0 HG12 VAL A 27 2.292 7.740 7.702 1.00 22.51 H new ATOM 0 HG13 VAL A 27 3.164 9.192 7.156 1.00 22.51 H new ATOM 0 HG21 VAL A 27 5.140 7.420 5.477 1.00 5.04 H new ATOM 0 HG22 VAL A 27 5.810 8.751 6.451 1.00 5.04 H new ATOM 0 HG23 VAL A 27 6.391 7.087 6.698 1.00 5.04 H new ATOM 383 N GLN A 28 2.770 6.949 10.065 1.00 65.14 N ATOM 384 CA GLN A 28 1.895 6.069 10.828 1.00 33.11 C ATOM 385 C GLN A 28 1.506 4.800 10.049 1.00 72.41 C ATOM 386 O GLN A 28 1.615 3.697 10.582 1.00 41.41 O ATOM 387 CB GLN A 28 0.688 6.883 11.340 1.00 5.05 C ATOM 388 CG GLN A 28 -0.120 7.685 10.299 1.00 11.03 C ATOM 389 CD GLN A 28 -0.819 8.875 10.952 1.00 33.55 C ATOM 390 OE1 GLN A 28 -1.956 8.792 11.406 1.00 11.33 O ATOM 391 NE2 GLN A 28 -0.156 10.016 11.002 1.00 52.30 N ATOM 0 H GLN A 28 2.263 7.720 9.630 1.00 65.14 H new ATOM 0 HA GLN A 28 2.434 5.688 11.695 1.00 33.11 H new ATOM 0 HB2 GLN A 28 0.005 6.195 11.839 1.00 5.05 H new ATOM 0 HB3 GLN A 28 1.048 7.580 12.097 1.00 5.05 H new ATOM 0 HG2 GLN A 28 0.544 8.037 9.509 1.00 11.03 H new ATOM 0 HG3 GLN A 28 -0.859 7.037 9.829 1.00 11.03 H new ATOM 0 HE21 GLN A 28 0.789 10.074 10.622 1.00 52.30 H new ATOM 0 HE22 GLN A 28 -0.589 10.839 11.421 1.00 52.30 H new ATOM 398 N ALA A 29 1.082 4.957 8.787 1.00 24.33 N ATOM 399 CA ALA A 29 0.013 4.170 8.151 1.00 2.24 C ATOM 400 C ALA A 29 -1.271 4.127 9.018 1.00 22.22 C ATOM 401 O ALA A 29 -1.278 4.603 10.149 1.00 11.44 O ATOM 402 CB ALA A 29 0.451 2.761 7.719 1.00 44.00 C ATOM 0 H ALA A 29 1.484 5.655 8.161 1.00 24.33 H new ATOM 0 HA ALA A 29 -0.224 4.701 7.229 1.00 2.24 H new ATOM 0 HB1 ALA A 29 -0.391 2.243 7.259 1.00 44.00 H new ATOM 0 HB2 ALA A 29 1.266 2.838 7.000 1.00 44.00 H new ATOM 0 HB3 ALA A 29 0.788 2.201 8.591 1.00 44.00 H new ATOM 408 N ARG A 30 -2.368 3.562 8.501 1.00 1.02 N ATOM 409 CA ARG A 30 -3.505 3.130 9.312 1.00 12.44 C ATOM 410 C ARG A 30 -3.863 1.672 9.045 1.00 30.14 C ATOM 411 O ARG A 30 -4.264 0.975 9.972 1.00 34.25 O ATOM 412 CB ARG A 30 -4.722 4.025 9.042 1.00 4.31 C ATOM 413 CG ARG A 30 -5.759 3.850 10.161 1.00 30.34 C ATOM 414 CD ARG A 30 -7.145 4.284 9.707 1.00 62.30 C ATOM 415 NE ARG A 30 -8.145 3.942 10.732 1.00 31.52 N ATOM 416 CZ ARG A 30 -8.914 4.738 11.479 1.00 2.04 C ATOM 417 NH1 ARG A 30 -8.919 6.057 11.328 1.00 13.44 N ATOM 418 NH2 ARG A 30 -9.690 4.180 12.400 1.00 12.44 N ATOM 0 H ARG A 30 -2.490 3.392 7.503 1.00 1.02 H new ATOM 0 HA ARG A 30 -3.216 3.220 10.359 1.00 12.44 H new ATOM 0 HB2 ARG A 30 -4.411 5.068 8.983 1.00 4.31 H new ATOM 0 HB3 ARG A 30 -5.166 3.769 8.080 1.00 4.31 H new ATOM 0 HG2 ARG A 30 -5.787 2.806 10.473 1.00 30.34 H new ATOM 0 HG3 ARG A 30 -5.460 4.435 11.031 1.00 30.34 H new ATOM 0 HD2 ARG A 30 -7.156 5.358 9.522 1.00 62.30 H new ATOM 0 HD3 ARG A 30 -7.397 3.796 8.765 1.00 62.30 H new ATOM 0 HE ARG A 30 -8.270 2.943 10.897 1.00 31.52 H new ATOM 0 HH11 ARG A 30 -8.323 6.492 10.624 1.00 13.44 H new ATOM 0 HH12 ARG A 30 -9.519 6.635 11.916 1.00 13.44 H new ATOM 0 HH21 ARG A 30 -9.689 3.167 12.523 1.00 12.44 H new ATOM 0 HH22 ARG A 30 -10.288 4.764 12.985 1.00 12.44 H new ATOM 429 N GLU A 31 -3.764 1.202 7.804 1.00 21.35 N ATOM 430 CA GLU A 31 -4.125 -0.162 7.432 1.00 44.23 C ATOM 431 C GLU A 31 -3.010 -0.680 6.533 1.00 31.43 C ATOM 432 O GLU A 31 -2.384 0.110 5.827 1.00 62.42 O ATOM 433 CB GLU A 31 -5.471 -0.167 6.682 1.00 74.42 C ATOM 434 CG GLU A 31 -6.377 -1.326 7.109 1.00 11.44 C ATOM 435 CD GLU A 31 -7.200 -0.961 8.346 1.00 73.30 C ATOM 436 OE1 GLU A 31 -8.164 -0.170 8.228 1.00 41.14 O ATOM 437 OE2 GLU A 31 -6.891 -1.472 9.447 1.00 53.41 O ATOM 0 H GLU A 31 -3.428 1.763 7.021 1.00 21.35 H new ATOM 0 HA GLU A 31 -4.238 -0.795 8.312 1.00 44.23 H new ATOM 0 HB2 GLU A 31 -5.986 0.777 6.860 1.00 74.42 H new ATOM 0 HB3 GLU A 31 -5.285 -0.231 5.610 1.00 74.42 H new ATOM 0 HG2 GLU A 31 -7.046 -1.589 6.289 1.00 11.44 H new ATOM 0 HG3 GLU A 31 -5.770 -2.206 7.320 1.00 11.44 H new ATOM 442 N VAL A 32 -2.760 -1.986 6.530 1.00 61.13 N ATOM 443 CA VAL A 32 -1.645 -2.589 5.819 1.00 44.01 C ATOM 444 C VAL A 32 -2.119 -3.941 5.289 1.00 74.33 C ATOM 445 O VAL A 32 -1.954 -4.980 5.918 1.00 24.51 O ATOM 446 CB VAL A 32 -0.394 -2.674 6.727 1.00 72.20 C ATOM 447 CG1 VAL A 32 0.834 -3.062 5.891 1.00 71.30 C ATOM 448 CG2 VAL A 32 -0.060 -1.376 7.471 1.00 44.03 C ATOM 0 H VAL A 32 -3.337 -2.662 7.030 1.00 61.13 H new ATOM 0 HA VAL A 32 -1.332 -1.979 4.972 1.00 44.01 H new ATOM 0 HB VAL A 32 -0.637 -3.427 7.476 1.00 72.20 H new ATOM 0 HG11 VAL A 32 1.710 -3.120 6.537 1.00 71.30 H new ATOM 0 HG12 VAL A 32 0.664 -4.031 5.423 1.00 71.30 H new ATOM 0 HG13 VAL A 32 1.001 -2.311 5.119 1.00 71.30 H new ATOM 0 HG21 VAL A 32 0.830 -1.526 8.083 1.00 44.03 H new ATOM 0 HG22 VAL A 32 0.126 -0.580 6.749 1.00 44.03 H new ATOM 0 HG23 VAL A 32 -0.897 -1.097 8.111 1.00 44.03 H new ATOM 458 N ARG A 33 -2.761 -3.952 4.122 1.00 32.15 N ATOM 459 CA ARG A 33 -3.228 -5.206 3.519 1.00 54.40 C ATOM 460 C ARG A 33 -2.081 -5.840 2.743 1.00 34.24 C ATOM 461 O ARG A 33 -2.028 -5.722 1.516 1.00 13.34 O ATOM 462 CB ARG A 33 -4.484 -4.976 2.665 1.00 64.10 C ATOM 463 CG ARG A 33 -5.687 -4.623 3.550 1.00 11.02 C ATOM 464 CD ARG A 33 -6.969 -4.422 2.739 1.00 45.31 C ATOM 465 NE ARG A 33 -6.916 -3.195 1.931 1.00 70.04 N ATOM 466 CZ ARG A 33 -7.708 -2.888 0.899 1.00 11.54 C ATOM 467 NH1 ARG A 33 -8.675 -3.709 0.507 1.00 10.21 N ATOM 468 NH2 ARG A 33 -7.504 -1.742 0.265 1.00 1.54 N ATOM 0 H ARG A 33 -2.970 -3.116 3.576 1.00 32.15 H new ATOM 0 HA ARG A 33 -3.530 -5.906 4.298 1.00 54.40 H new ATOM 0 HB2 ARG A 33 -4.302 -4.171 1.952 1.00 64.10 H new ATOM 0 HB3 ARG A 33 -4.704 -5.872 2.085 1.00 64.10 H new ATOM 0 HG2 ARG A 33 -5.843 -5.417 4.280 1.00 11.02 H new ATOM 0 HG3 ARG A 33 -5.468 -3.714 4.110 1.00 11.02 H new ATOM 0 HD2 ARG A 33 -7.125 -5.281 2.086 1.00 45.31 H new ATOM 0 HD3 ARG A 33 -7.823 -4.376 3.415 1.00 45.31 H new ATOM 0 HE ARG A 33 -6.204 -2.510 2.183 1.00 70.04 H new ATOM 0 HH11 ARG A 33 -8.824 -4.592 0.996 1.00 10.21 H new ATOM 0 HH12 ARG A 33 -9.269 -3.457 -0.283 1.00 10.21 H new ATOM 0 HH21 ARG A 33 -6.756 -1.118 0.568 1.00 1.54 H new ATOM 0 HH22 ARG A 33 -8.095 -1.484 -0.526 1.00 1.54 H new ATOM 479 N LEU A 34 -1.145 -6.480 3.446 1.00 61.54 N ATOM 480 CA LEU A 34 0.002 -7.160 2.848 1.00 61.53 C ATOM 481 C LEU A 34 -0.364 -8.604 2.492 1.00 45.03 C ATOM 482 O LEU A 34 -1.343 -9.158 2.999 1.00 70.50 O ATOM 483 CB LEU A 34 1.173 -7.074 3.847 1.00 14.44 C ATOM 484 CG LEU A 34 2.613 -7.384 3.380 1.00 4.04 C ATOM 485 CD1 LEU A 34 3.044 -8.849 3.496 1.00 63.23 C ATOM 486 CD2 LEU A 34 2.949 -6.877 1.983 1.00 61.30 C ATOM 0 H LEU A 34 -1.164 -6.541 4.464 1.00 61.54 H new ATOM 0 HA LEU A 34 0.301 -6.683 1.915 1.00 61.53 H new ATOM 0 HB2 LEU A 34 1.176 -6.064 4.257 1.00 14.44 H new ATOM 0 HB3 LEU A 34 0.947 -7.751 4.670 1.00 14.44 H new ATOM 0 HG LEU A 34 3.192 -6.814 4.106 1.00 4.04 H new ATOM 0 HD11 LEU A 34 4.069 -8.956 3.142 1.00 63.23 H new ATOM 0 HD12 LEU A 34 2.985 -9.164 4.538 1.00 63.23 H new ATOM 0 HD13 LEU A 34 2.385 -9.471 2.891 1.00 63.23 H new ATOM 0 HD21 LEU A 34 3.978 -7.139 1.739 1.00 61.30 H new ATOM 0 HD22 LEU A 34 2.276 -7.335 1.258 1.00 61.30 H new ATOM 0 HD23 LEU A 34 2.833 -5.794 1.951 1.00 61.30 H new ATOM 497 N MET A 35 0.471 -9.217 1.652 1.00 64.41 N ATOM 498 CA MET A 35 0.514 -10.634 1.309 1.00 45.10 C ATOM 499 C MET A 35 0.629 -11.521 2.552 1.00 10.05 C ATOM 500 O MET A 35 1.733 -11.891 2.967 1.00 1.01 O ATOM 501 CB MET A 35 1.681 -10.895 0.335 1.00 50.13 C ATOM 502 CG MET A 35 1.405 -10.403 -1.084 1.00 43.12 C ATOM 503 SD MET A 35 2.846 -9.943 -2.058 1.00 31.15 S ATOM 504 CE MET A 35 3.698 -11.540 -2.160 1.00 11.24 C ATOM 0 H MET A 35 1.191 -8.691 1.156 1.00 64.41 H new ATOM 0 HA MET A 35 -0.426 -10.895 0.822 1.00 45.10 H new ATOM 0 HB2 MET A 35 2.578 -10.405 0.714 1.00 50.13 H new ATOM 0 HB3 MET A 35 1.890 -11.964 0.307 1.00 50.13 H new ATOM 0 HG2 MET A 35 0.865 -11.184 -1.619 1.00 43.12 H new ATOM 0 HG3 MET A 35 0.742 -9.540 -1.025 1.00 43.12 H new ATOM 0 HE1 MET A 35 4.634 -11.419 -2.705 1.00 11.24 H new ATOM 0 HE2 MET A 35 3.908 -11.905 -1.155 1.00 11.24 H new ATOM 0 HE3 MET A 35 3.065 -12.258 -2.682 1.00 11.24 H new ATOM 512 N ARG A 36 -0.519 -11.874 3.132 1.00 30.11 N ATOM 513 CA ARG A 36 -0.707 -12.860 4.183 1.00 34.15 C ATOM 514 C ARG A 36 -1.991 -13.633 3.884 1.00 71.33 C ATOM 515 O ARG A 36 -1.926 -14.780 3.448 1.00 65.14 O ATOM 516 CB ARG A 36 -0.751 -12.162 5.560 1.00 23.31 C ATOM 517 CG ARG A 36 0.579 -11.527 5.994 1.00 2.11 C ATOM 518 CD ARG A 36 1.701 -12.564 6.180 1.00 22.43 C ATOM 519 NE ARG A 36 2.308 -12.506 7.523 1.00 30.55 N ATOM 520 CZ ARG A 36 3.280 -13.289 8.014 1.00 65.52 C ATOM 521 NH1 ARG A 36 3.770 -14.309 7.318 1.00 2.13 N ATOM 522 NH2 ARG A 36 3.787 -13.038 9.213 1.00 54.31 N ATOM 0 H ARG A 36 -1.402 -11.444 2.856 1.00 30.11 H new ATOM 0 HA ARG A 36 0.125 -13.563 4.214 1.00 34.15 H new ATOM 0 HB2 ARG A 36 -1.518 -11.388 5.537 1.00 23.31 H new ATOM 0 HB3 ARG A 36 -1.055 -12.890 6.313 1.00 23.31 H new ATOM 0 HG2 ARG A 36 0.887 -10.794 5.248 1.00 2.11 H new ATOM 0 HG3 ARG A 36 0.431 -10.987 6.929 1.00 2.11 H new ATOM 0 HD2 ARG A 36 1.300 -13.563 6.009 1.00 22.43 H new ATOM 0 HD3 ARG A 36 2.473 -12.398 5.429 1.00 22.43 H new ATOM 0 HE ARG A 36 1.947 -11.788 8.151 1.00 30.55 H new ATOM 0 HH11 ARG A 36 3.407 -14.512 6.387 1.00 2.13 H new ATOM 0 HH12 ARG A 36 4.509 -14.889 7.715 1.00 2.13 H new ATOM 0 HH21 ARG A 36 3.438 -12.251 9.760 1.00 54.31 H new ATOM 0 HH22 ARG A 36 4.526 -13.632 9.589 1.00 54.31 H new ATOM 533 N ASN A 37 -3.148 -13.007 4.105 1.00 62.23 N ATOM 534 CA ASN A 37 -4.472 -13.629 4.088 1.00 2.02 C ATOM 535 C ASN A 37 -4.859 -14.174 2.712 1.00 44.42 C ATOM 536 O ASN A 37 -5.411 -13.438 1.882 1.00 34.25 O ATOM 537 CB ASN A 37 -5.491 -12.591 4.555 1.00 10.13 C ATOM 538 CG ASN A 37 -6.917 -13.106 4.691 1.00 53.04 C ATOM 539 OD1 ASN A 37 -7.268 -14.243 4.374 1.00 65.12 O ATOM 540 ND2 ASN A 37 -7.790 -12.226 5.128 1.00 73.10 N ATOM 0 H ASN A 37 -3.189 -12.009 4.310 1.00 62.23 H new ATOM 0 HA ASN A 37 -4.455 -14.489 4.757 1.00 2.02 H new ATOM 0 HB2 ASN A 37 -5.170 -12.196 5.519 1.00 10.13 H new ATOM 0 HB3 ASN A 37 -5.487 -11.758 3.852 1.00 10.13 H new ATOM 0 HD21 ASN A 37 -8.774 -12.481 5.209 1.00 73.10 H new ATOM 0 HD22 ASN A 37 -7.483 -11.288 5.387 1.00 73.10 H new ATOM 546 N LYS A 38 -4.600 -15.466 2.486 1.00 32.54 N ATOM 547 CA LYS A 38 -4.952 -16.145 1.244 1.00 62.50 C ATOM 548 C LYS A 38 -6.457 -16.217 1.012 1.00 42.30 C ATOM 549 O LYS A 38 -6.874 -16.150 -0.145 1.00 45.10 O ATOM 550 CB LYS A 38 -4.301 -17.539 1.117 1.00 54.00 C ATOM 551 CG LYS A 38 -4.507 -18.581 2.239 1.00 45.13 C ATOM 552 CD LYS A 38 -3.495 -18.467 3.397 1.00 53.34 C ATOM 553 CE LYS A 38 -3.312 -19.796 4.152 1.00 63.11 C ATOM 554 NZ LYS A 38 -4.473 -20.172 4.986 1.00 51.03 N ATOM 0 H LYS A 38 -4.138 -16.070 3.166 1.00 32.54 H new ATOM 0 HA LYS A 38 -4.536 -15.523 0.452 1.00 62.50 H new ATOM 0 HB2 LYS A 38 -4.660 -17.984 0.189 1.00 54.00 H new ATOM 0 HB3 LYS A 38 -3.227 -17.389 1.004 1.00 54.00 H new ATOM 0 HG2 LYS A 38 -5.515 -18.473 2.640 1.00 45.13 H new ATOM 0 HG3 LYS A 38 -4.440 -19.580 1.809 1.00 45.13 H new ATOM 0 HD2 LYS A 38 -2.532 -18.141 3.003 1.00 53.34 H new ATOM 0 HD3 LYS A 38 -3.831 -17.700 4.095 1.00 53.34 H new ATOM 0 HE2 LYS A 38 -3.122 -20.590 3.430 1.00 63.11 H new ATOM 0 HE3 LYS A 38 -2.429 -19.724 4.786 1.00 63.11 H new ATOM 0 HZ1 LYS A 38 -4.279 -21.075 5.464 1.00 51.03 H new ATOM 0 HZ2 LYS A 38 -4.643 -19.433 5.698 1.00 51.03 H new ATOM 0 HZ3 LYS A 38 -5.315 -20.272 4.384 1.00 51.03 H new ATOM 564 N SER A 39 -7.259 -16.338 2.071 1.00 31.41 N ATOM 565 CA SER A 39 -8.693 -16.562 1.950 1.00 2.22 C ATOM 566 C SER A 39 -9.395 -15.312 1.409 1.00 33.21 C ATOM 567 O SER A 39 -10.228 -15.422 0.506 1.00 44.53 O ATOM 568 CB SER A 39 -9.232 -16.981 3.318 1.00 23.35 C ATOM 569 OG SER A 39 -10.334 -17.847 3.189 1.00 62.11 O ATOM 0 H SER A 39 -6.929 -16.283 3.035 1.00 31.41 H new ATOM 0 HA SER A 39 -8.892 -17.359 1.234 1.00 2.22 H new ATOM 0 HB2 SER A 39 -8.444 -17.474 3.887 1.00 23.35 H new ATOM 0 HB3 SER A 39 -9.526 -16.096 3.882 1.00 23.35 H new ATOM 0 HG SER A 39 -10.657 -18.100 4.079 1.00 62.11 H new ATOM 574 N SER A 40 -9.029 -14.130 1.919 1.00 45.13 N ATOM 575 CA SER A 40 -9.429 -12.855 1.335 1.00 63.30 C ATOM 576 C SER A 40 -8.833 -12.768 -0.059 1.00 51.54 C ATOM 577 O SER A 40 -9.551 -12.672 -1.055 1.00 50.51 O ATOM 578 CB SER A 40 -8.941 -11.703 2.217 1.00 33.31 C ATOM 579 OG SER A 40 -9.620 -10.496 1.981 1.00 64.03 O ATOM 0 H SER A 40 -8.446 -14.036 2.750 1.00 45.13 H new ATOM 0 HA SER A 40 -10.515 -12.784 1.270 1.00 63.30 H new ATOM 0 HB2 SER A 40 -9.061 -11.980 3.264 1.00 33.31 H new ATOM 0 HB3 SER A 40 -7.875 -11.551 2.048 1.00 33.31 H new ATOM 0 HG SER A 40 -9.266 -9.800 2.574 1.00 64.03 H new ATOM 584 N GLY A 41 -7.506 -12.856 -0.114 1.00 63.03 N ATOM 585 CA GLY A 41 -6.750 -12.569 -1.314 1.00 73.42 C ATOM 586 C GLY A 41 -5.995 -11.263 -1.150 1.00 21.35 C ATOM 587 O GLY A 41 -5.859 -10.508 -2.109 1.00 65.20 O ATOM 0 H GLY A 41 -6.929 -13.131 0.681 1.00 63.03 H new ATOM 0 HA2 GLY A 41 -6.051 -13.380 -1.516 1.00 73.42 H new ATOM 0 HA3 GLY A 41 -7.421 -12.506 -2.171 1.00 73.42 H new ATOM 591 N GLN A 42 -5.453 -10.999 0.050 1.00 72.34 N ATOM 592 CA GLN A 42 -4.531 -9.883 0.257 1.00 43.21 C ATOM 593 C GLN A 42 -3.158 -10.164 -0.369 1.00 51.11 C ATOM 594 O GLN A 42 -2.202 -9.415 -0.162 1.00 41.10 O ATOM 595 CB GLN A 42 -4.365 -9.600 1.757 1.00 33.41 C ATOM 596 CG GLN A 42 -5.650 -9.177 2.482 1.00 45.41 C ATOM 597 CD GLN A 42 -5.464 -9.103 3.998 1.00 34.22 C ATOM 598 OE1 GLN A 42 -6.360 -9.462 4.758 1.00 61.20 O ATOM 599 NE2 GLN A 42 -4.303 -8.682 4.477 1.00 10.41 N ATOM 0 H GLN A 42 -5.641 -11.547 0.889 1.00 72.34 H new ATOM 0 HA GLN A 42 -4.958 -9.008 -0.234 1.00 43.21 H new ATOM 0 HB2 GLN A 42 -3.971 -10.495 2.239 1.00 33.41 H new ATOM 0 HB3 GLN A 42 -3.619 -8.815 1.883 1.00 33.41 H new ATOM 0 HG2 GLN A 42 -5.971 -8.204 2.110 1.00 45.41 H new ATOM 0 HG3 GLN A 42 -6.445 -9.885 2.250 1.00 45.41 H new ATOM 0 HE21 GLN A 42 -3.565 -8.386 3.838 1.00 10.41 H new ATOM 0 HE22 GLN A 42 -4.147 -8.654 5.485 1.00 10.41 H new ATOM 606 N SER A 43 -3.027 -11.280 -1.073 1.00 21.32 N ATOM 607 CA SER A 43 -1.778 -11.944 -1.361 1.00 21.32 C ATOM 608 C SER A 43 -1.696 -12.261 -2.849 1.00 72.22 C ATOM 609 O SER A 43 -2.401 -13.155 -3.317 1.00 65.34 O ATOM 610 CB SER A 43 -1.640 -13.158 -0.432 1.00 34.51 C ATOM 611 OG SER A 43 -2.826 -13.940 -0.380 1.00 24.41 O ATOM 0 H SER A 43 -3.830 -11.764 -1.474 1.00 21.32 H new ATOM 0 HA SER A 43 -0.920 -11.303 -1.157 1.00 21.32 H new ATOM 0 HB2 SER A 43 -0.813 -13.780 -0.773 1.00 34.51 H new ATOM 0 HB3 SER A 43 -1.389 -12.817 0.572 1.00 34.51 H new ATOM 0 HG SER A 43 -3.192 -14.040 -1.284 1.00 24.41 H new ATOM 616 N ARG A 44 -0.922 -11.468 -3.606 1.00 32.15 N ATOM 617 CA ARG A 44 -0.879 -11.547 -5.069 1.00 1.41 C ATOM 618 C ARG A 44 0.436 -11.072 -5.703 1.00 24.55 C ATOM 619 O ARG A 44 0.521 -11.078 -6.930 1.00 21.54 O ATOM 620 CB ARG A 44 -2.050 -10.718 -5.627 1.00 42.34 C ATOM 621 CG ARG A 44 -3.202 -11.561 -6.175 1.00 31.22 C ATOM 622 CD ARG A 44 -2.854 -12.264 -7.492 1.00 11.52 C ATOM 623 NE ARG A 44 -4.070 -12.837 -8.072 1.00 14.52 N ATOM 624 CZ ARG A 44 -4.261 -13.287 -9.311 1.00 63.34 C ATOM 625 NH1 ARG A 44 -3.262 -13.345 -10.189 1.00 74.11 N ATOM 626 NH2 ARG A 44 -5.476 -13.694 -9.654 1.00 43.24 N ATOM 0 H ARG A 44 -0.308 -10.753 -3.217 1.00 32.15 H new ATOM 0 HA ARG A 44 -0.957 -12.603 -5.330 1.00 1.41 H new ATOM 0 HB2 ARG A 44 -2.431 -10.069 -4.838 1.00 42.34 H new ATOM 0 HB3 ARG A 44 -1.678 -10.070 -6.421 1.00 42.34 H new ATOM 0 HG2 ARG A 44 -3.483 -12.309 -5.433 1.00 31.22 H new ATOM 0 HG3 ARG A 44 -4.072 -10.922 -6.329 1.00 31.22 H new ATOM 0 HD2 ARG A 44 -2.405 -11.555 -8.188 1.00 11.52 H new ATOM 0 HD3 ARG A 44 -2.118 -13.048 -7.315 1.00 11.52 H new ATOM 0 HE ARG A 44 -4.874 -12.900 -7.447 1.00 14.52 H new ATOM 0 HH11 ARG A 44 -2.327 -13.041 -9.918 1.00 74.11 H new ATOM 0 HH12 ARG A 44 -3.432 -13.693 -11.133 1.00 74.11 H new ATOM 0 HH21 ARG A 44 -6.237 -13.658 -8.975 1.00 43.24 H new ATOM 0 HH22 ARG A 44 -5.650 -14.043 -10.596 1.00 43.24 H new ATOM 637 N GLY A 45 1.437 -10.633 -4.935 1.00 63.34 N ATOM 638 CA GLY A 45 2.570 -9.879 -5.482 1.00 12.33 C ATOM 639 C GLY A 45 2.277 -8.377 -5.511 1.00 32.41 C ATOM 640 O GLY A 45 2.770 -7.661 -6.388 1.00 50.43 O ATOM 0 H GLY A 45 1.486 -10.787 -3.928 1.00 63.34 H new ATOM 0 HA2 GLY A 45 3.459 -10.067 -4.880 1.00 12.33 H new ATOM 0 HA3 GLY A 45 2.789 -10.228 -6.491 1.00 12.33 H new ATOM 644 N PHE A 46 1.446 -7.901 -4.579 1.00 45.33 N ATOM 645 CA PHE A 46 1.206 -6.498 -4.276 1.00 34.55 C ATOM 646 C PHE A 46 0.598 -6.389 -2.874 1.00 42.43 C ATOM 647 O PHE A 46 0.317 -7.413 -2.243 1.00 53.44 O ATOM 648 CB PHE A 46 0.278 -5.860 -5.334 1.00 62.51 C ATOM 649 CG PHE A 46 -0.976 -6.623 -5.713 1.00 23.31 C ATOM 650 CD1 PHE A 46 -2.014 -6.821 -4.780 1.00 72.21 C ATOM 651 CD2 PHE A 46 -1.144 -7.049 -7.043 1.00 30.31 C ATOM 652 CE1 PHE A 46 -3.202 -7.461 -5.174 1.00 52.44 C ATOM 653 CE2 PHE A 46 -2.335 -7.676 -7.440 1.00 43.33 C ATOM 654 CZ PHE A 46 -3.360 -7.890 -6.504 1.00 74.10 C ATOM 0 H PHE A 46 0.896 -8.523 -3.987 1.00 45.33 H new ATOM 0 HA PHE A 46 2.150 -5.954 -4.301 1.00 34.55 H new ATOM 0 HB2 PHE A 46 -0.023 -4.878 -4.970 1.00 62.51 H new ATOM 0 HB3 PHE A 46 0.861 -5.699 -6.241 1.00 62.51 H new ATOM 0 HD1 PHE A 46 -1.896 -6.481 -3.762 1.00 72.21 H new ATOM 0 HD2 PHE A 46 -0.353 -6.893 -7.762 1.00 30.31 H new ATOM 0 HE1 PHE A 46 -3.992 -7.623 -4.456 1.00 52.44 H new ATOM 0 HE2 PHE A 46 -2.463 -7.994 -8.464 1.00 43.33 H new ATOM 0 HZ PHE A 46 -4.271 -8.385 -6.806 1.00 74.10 H new ATOM 663 N ALA A 47 0.398 -5.158 -2.395 1.00 30.42 N ATOM 664 CA ALA A 47 -0.229 -4.833 -1.116 1.00 44.43 C ATOM 665 C ALA A 47 -1.050 -3.545 -1.244 1.00 71.12 C ATOM 666 O ALA A 47 -0.940 -2.871 -2.270 1.00 23.33 O ATOM 667 CB ALA A 47 0.868 -4.674 -0.061 1.00 42.13 C ATOM 0 H ALA A 47 0.682 -4.326 -2.913 1.00 30.42 H new ATOM 0 HA ALA A 47 -0.906 -5.633 -0.817 1.00 44.43 H new ATOM 0 HB1 ALA A 47 0.416 -4.431 0.900 1.00 42.13 H new ATOM 0 HB2 ALA A 47 1.427 -5.606 0.026 1.00 42.13 H new ATOM 0 HB3 ALA A 47 1.544 -3.872 -0.357 1.00 42.13 H new ATOM 673 N PHE A 48 -1.811 -3.187 -0.201 1.00 24.23 N ATOM 674 CA PHE A 48 -2.497 -1.903 -0.074 1.00 21.53 C ATOM 675 C PHE A 48 -2.314 -1.377 1.353 1.00 52.22 C ATOM 676 O PHE A 48 -3.065 -1.734 2.264 1.00 51.00 O ATOM 677 CB PHE A 48 -3.996 -2.006 -0.398 1.00 13.12 C ATOM 678 CG PHE A 48 -4.389 -2.596 -1.732 1.00 53.21 C ATOM 679 CD1 PHE A 48 -4.609 -3.979 -1.837 1.00 74.21 C ATOM 680 CD2 PHE A 48 -4.655 -1.761 -2.831 1.00 74.13 C ATOM 681 CE1 PHE A 48 -5.114 -4.529 -3.026 1.00 44.40 C ATOM 682 CE2 PHE A 48 -5.175 -2.307 -4.016 1.00 31.14 C ATOM 683 CZ PHE A 48 -5.421 -3.688 -4.107 1.00 34.12 C ATOM 0 H PHE A 48 -1.968 -3.802 0.597 1.00 24.23 H new ATOM 0 HA PHE A 48 -2.056 -1.216 -0.797 1.00 21.53 H new ATOM 0 HB2 PHE A 48 -4.468 -2.602 0.384 1.00 13.12 H new ATOM 0 HB3 PHE A 48 -4.422 -1.004 -0.336 1.00 13.12 H new ATOM 0 HD1 PHE A 48 -4.389 -4.623 -0.999 1.00 74.21 H new ATOM 0 HD2 PHE A 48 -4.460 -0.701 -2.764 1.00 74.13 H new ATOM 0 HE1 PHE A 48 -5.266 -5.595 -3.109 1.00 44.40 H new ATOM 0 HE2 PHE A 48 -5.386 -1.665 -4.858 1.00 31.14 H new ATOM 0 HZ PHE A 48 -5.846 -4.102 -5.009 1.00 34.12 H new ATOM 692 N VAL A 49 -1.307 -0.543 1.574 1.00 3.12 N ATOM 693 CA VAL A 49 -1.238 0.301 2.756 1.00 42.00 C ATOM 694 C VAL A 49 -2.279 1.410 2.597 1.00 14.01 C ATOM 695 O VAL A 49 -2.404 1.972 1.508 1.00 41.34 O ATOM 696 CB VAL A 49 0.189 0.844 2.934 1.00 43.01 C ATOM 697 CG1 VAL A 49 0.593 1.874 1.901 1.00 14.43 C ATOM 698 CG2 VAL A 49 0.394 1.424 4.331 1.00 21.44 C ATOM 0 H VAL A 49 -0.516 -0.434 0.939 1.00 3.12 H new ATOM 0 HA VAL A 49 -1.464 -0.262 3.662 1.00 42.00 H new ATOM 0 HB VAL A 49 0.835 -0.022 2.791 1.00 43.01 H new ATOM 0 HG11 VAL A 49 1.612 2.206 2.097 1.00 14.43 H new ATOM 0 HG12 VAL A 49 0.541 1.432 0.906 1.00 14.43 H new ATOM 0 HG13 VAL A 49 -0.083 2.727 1.954 1.00 14.43 H new ATOM 0 HG21 VAL A 49 1.413 1.799 4.423 1.00 21.44 H new ATOM 0 HG22 VAL A 49 -0.309 2.241 4.493 1.00 21.44 H new ATOM 0 HG23 VAL A 49 0.225 0.647 5.076 1.00 21.44 H new ATOM 708 N GLU A 50 -3.003 1.748 3.657 1.00 41.13 N ATOM 709 CA GLU A 50 -3.857 2.905 3.770 1.00 54.01 C ATOM 710 C GLU A 50 -3.224 3.891 4.745 1.00 42.21 C ATOM 711 O GLU A 50 -2.578 3.486 5.713 1.00 73.32 O ATOM 712 CB GLU A 50 -5.212 2.461 4.313 1.00 53.12 C ATOM 713 CG GLU A 50 -6.281 3.439 3.844 1.00 34.44 C ATOM 714 CD GLU A 50 -7.587 3.281 4.615 1.00 71.51 C ATOM 715 OE1 GLU A 50 -7.957 2.154 4.995 1.00 44.32 O ATOM 716 OE2 GLU A 50 -8.253 4.317 4.856 1.00 33.45 O ATOM 0 H GLU A 50 -3.004 1.183 4.506 1.00 41.13 H new ATOM 0 HA GLU A 50 -3.984 3.379 2.796 1.00 54.01 H new ATOM 0 HB2 GLU A 50 -5.445 1.454 3.966 1.00 53.12 H new ATOM 0 HB3 GLU A 50 -5.187 2.425 5.402 1.00 53.12 H new ATOM 0 HG2 GLU A 50 -5.914 4.459 3.960 1.00 34.44 H new ATOM 0 HG3 GLU A 50 -6.468 3.287 2.781 1.00 34.44 H new ATOM 721 N PHE A 51 -3.414 5.181 4.494 1.00 2.34 N ATOM 722 CA PHE A 51 -2.878 6.296 5.254 1.00 63.34 C ATOM 723 C PHE A 51 -4.027 7.121 5.833 1.00 61.54 C ATOM 724 O PHE A 51 -5.159 7.048 5.344 1.00 3.24 O ATOM 725 CB PHE A 51 -2.020 7.159 4.321 1.00 34.55 C ATOM 726 CG PHE A 51 -0.602 6.687 4.061 1.00 41.42 C ATOM 727 CD1 PHE A 51 -0.271 5.353 3.758 1.00 13.41 C ATOM 728 CD2 PHE A 51 0.421 7.638 4.131 1.00 25.43 C ATOM 729 CE1 PHE A 51 1.074 4.979 3.617 1.00 72.30 C ATOM 730 CE2 PHE A 51 1.767 7.267 3.987 1.00 61.52 C ATOM 731 CZ PHE A 51 2.093 5.929 3.742 1.00 62.52 C ATOM 0 H PHE A 51 -3.982 5.492 3.705 1.00 2.34 H new ATOM 0 HA PHE A 51 -2.264 5.930 6.077 1.00 63.34 H new ATOM 0 HB2 PHE A 51 -2.533 7.236 3.362 1.00 34.55 H new ATOM 0 HB3 PHE A 51 -1.972 8.165 4.738 1.00 34.55 H new ATOM 0 HD1 PHE A 51 -1.052 4.617 3.634 1.00 13.41 H new ATOM 0 HD2 PHE A 51 0.171 8.675 4.299 1.00 25.43 H new ATOM 0 HE1 PHE A 51 1.325 3.949 3.410 1.00 72.30 H new ATOM 0 HE2 PHE A 51 2.547 8.010 4.065 1.00 61.52 H new ATOM 0 HZ PHE A 51 3.127 5.631 3.650 1.00 62.52 H new ATOM 740 N SER A 52 -3.716 7.942 6.835 1.00 52.00 N ATOM 741 CA SER A 52 -4.648 8.811 7.545 1.00 42.44 C ATOM 742 C SER A 52 -4.526 10.279 7.127 1.00 13.33 C ATOM 743 O SER A 52 -5.361 11.091 7.529 1.00 5.02 O ATOM 744 CB SER A 52 -4.353 8.692 9.044 1.00 71.23 C ATOM 745 OG SER A 52 -4.982 7.543 9.581 1.00 21.33 O ATOM 0 H SER A 52 -2.763 8.022 7.189 1.00 52.00 H new ATOM 0 HA SER A 52 -5.662 8.493 7.302 1.00 42.44 H new ATOM 0 HB2 SER A 52 -3.277 8.634 9.206 1.00 71.23 H new ATOM 0 HB3 SER A 52 -4.706 9.583 9.562 1.00 71.23 H new ATOM 0 HG SER A 52 -4.784 7.479 10.539 1.00 21.33 H new ATOM 750 N HIS A 53 -3.512 10.644 6.341 1.00 41.33 N ATOM 751 CA HIS A 53 -3.337 11.994 5.827 1.00 65.32 C ATOM 752 C HIS A 53 -2.998 11.855 4.354 1.00 34.32 C ATOM 753 O HIS A 53 -2.085 11.108 3.996 1.00 33.45 O ATOM 754 CB HIS A 53 -2.225 12.737 6.585 1.00 33.42 C ATOM 755 CG HIS A 53 -2.435 12.764 8.076 1.00 64.14 C ATOM 756 ND1 HIS A 53 -3.161 13.695 8.780 1.00 32.35 N ATOM 757 CD2 HIS A 53 -1.988 11.823 8.963 1.00 24.55 C ATOM 758 CE1 HIS A 53 -3.155 13.316 10.068 1.00 72.43 C ATOM 759 NE2 HIS A 53 -2.443 12.189 10.232 1.00 21.44 N ATOM 0 H HIS A 53 -2.782 9.998 6.042 1.00 41.33 H new ATOM 0 HA HIS A 53 -4.244 12.582 5.963 1.00 65.32 H new ATOM 0 HB2 HIS A 53 -1.268 12.262 6.369 1.00 33.42 H new ATOM 0 HB3 HIS A 53 -2.164 13.761 6.215 1.00 33.42 H new ATOM 0 HD1 HIS A 53 -3.619 14.521 8.395 1.00 32.35 H new ATOM 0 HD2 HIS A 53 -1.392 10.955 8.725 1.00 24.55 H new ATOM 0 HE1 HIS A 53 -3.655 13.846 10.865 1.00 72.43 H new ATOM 766 N LEU A 54 -3.710 12.592 3.501 1.00 33.33 N ATOM 767 CA LEU A 54 -3.475 12.602 2.060 1.00 41.24 C ATOM 768 C LEU A 54 -2.008 12.943 1.801 1.00 63.40 C ATOM 769 O LEU A 54 -1.309 12.233 1.085 1.00 62.24 O ATOM 770 CB LEU A 54 -4.394 13.632 1.369 1.00 73.43 C ATOM 771 CG LEU A 54 -5.883 13.259 1.210 1.00 51.22 C ATOM 772 CD1 LEU A 54 -6.087 12.067 0.269 1.00 54.40 C ATOM 773 CD2 LEU A 54 -6.606 12.992 2.531 1.00 61.54 C ATOM 0 H LEU A 54 -4.472 13.203 3.795 1.00 33.33 H new ATOM 0 HA LEU A 54 -3.702 11.619 1.648 1.00 41.24 H new ATOM 0 HB2 LEU A 54 -4.338 14.564 1.931 1.00 73.43 H new ATOM 0 HB3 LEU A 54 -3.989 13.833 0.377 1.00 73.43 H new ATOM 0 HG LEU A 54 -6.332 14.149 0.769 1.00 51.22 H new ATOM 0 HD11 LEU A 54 -7.151 11.844 0.190 1.00 54.40 H new ATOM 0 HD12 LEU A 54 -5.693 12.311 -0.718 1.00 54.40 H new ATOM 0 HD13 LEU A 54 -5.562 11.197 0.664 1.00 54.40 H new ATOM 0 HD21 LEU A 54 -7.647 12.737 2.331 1.00 61.54 H new ATOM 0 HD22 LEU A 54 -6.122 12.164 3.050 1.00 61.54 H new ATOM 0 HD23 LEU A 54 -6.565 13.885 3.155 1.00 61.54 H new ATOM 784 N GLN A 55 -1.530 14.008 2.447 1.00 52.33 N ATOM 785 CA GLN A 55 -0.183 14.520 2.258 1.00 31.53 C ATOM 786 C GLN A 55 0.888 13.500 2.659 1.00 34.32 C ATOM 787 O GLN A 55 1.966 13.496 2.063 1.00 31.13 O ATOM 788 CB GLN A 55 -0.051 15.855 3.013 1.00 53.33 C ATOM 789 CG GLN A 55 0.418 15.770 4.472 1.00 63.33 C ATOM 790 CD GLN A 55 1.933 15.596 4.626 1.00 33.51 C ATOM 791 OE1 GLN A 55 2.731 16.139 3.866 1.00 2.13 O ATOM 792 NE2 GLN A 55 2.349 14.780 5.572 1.00 73.32 N ATOM 0 H GLN A 55 -2.078 14.541 3.122 1.00 52.33 H new ATOM 0 HA GLN A 55 -0.012 14.701 1.197 1.00 31.53 H new ATOM 0 HB2 GLN A 55 0.647 16.489 2.466 1.00 53.33 H new ATOM 0 HB3 GLN A 55 -1.019 16.356 2.994 1.00 53.33 H new ATOM 0 HG2 GLN A 55 0.111 16.675 4.996 1.00 63.33 H new ATOM 0 HG3 GLN A 55 -0.085 14.934 4.958 1.00 63.33 H new ATOM 0 HE21 GLN A 55 1.675 14.336 6.196 1.00 73.32 H new ATOM 0 HE22 GLN A 55 3.345 14.592 5.681 1.00 73.32 H new ATOM 799 N ASP A 56 0.613 12.649 3.660 1.00 3.35 N ATOM 800 CA ASP A 56 1.583 11.664 4.136 1.00 32.45 C ATOM 801 C ASP A 56 1.832 10.649 3.021 1.00 10.25 C ATOM 802 O ASP A 56 2.959 10.171 2.891 1.00 1.24 O ATOM 803 CB ASP A 56 1.109 10.883 5.376 1.00 30.43 C ATOM 804 CG ASP A 56 1.510 11.367 6.770 1.00 41.13 C ATOM 805 OD1 ASP A 56 2.468 12.164 6.915 1.00 70.30 O ATOM 806 OD2 ASP A 56 0.900 10.822 7.717 1.00 53.20 O ATOM 0 H ASP A 56 -0.279 12.628 4.154 1.00 3.35 H new ATOM 0 HA ASP A 56 2.481 12.217 4.414 1.00 32.45 H new ATOM 0 HB2 ASP A 56 0.020 10.848 5.343 1.00 30.43 H new ATOM 0 HB3 ASP A 56 1.464 9.858 5.272 1.00 30.43 H new ATOM 810 N ALA A 57 0.808 10.321 2.216 1.00 43.40 N ATOM 811 CA ALA A 57 0.923 9.337 1.148 1.00 62.11 C ATOM 812 C ALA A 57 1.919 9.866 0.129 1.00 42.03 C ATOM 813 O ALA A 57 2.829 9.153 -0.276 1.00 51.21 O ATOM 814 CB ALA A 57 -0.437 9.052 0.512 1.00 54.22 C ATOM 0 H ALA A 57 -0.120 10.736 2.295 1.00 43.40 H new ATOM 0 HA ALA A 57 1.279 8.388 1.549 1.00 62.11 H new ATOM 0 HB1 ALA A 57 -0.320 8.314 -0.282 1.00 54.22 H new ATOM 0 HB2 ALA A 57 -1.119 8.665 1.269 1.00 54.22 H new ATOM 0 HB3 ALA A 57 -0.843 9.973 0.094 1.00 54.22 H new ATOM 820 N THR A 58 1.790 11.139 -0.238 1.00 12.45 N ATOM 821 CA THR A 58 2.722 11.873 -1.084 1.00 63.51 C ATOM 822 C THR A 58 4.121 11.844 -0.470 1.00 44.33 C ATOM 823 O THR A 58 5.101 11.529 -1.141 1.00 5.12 O ATOM 824 CB THR A 58 2.212 13.318 -1.212 1.00 43.44 C ATOM 825 OG1 THR A 58 0.819 13.396 -0.974 1.00 52.41 O ATOM 826 CG2 THR A 58 2.500 13.949 -2.562 1.00 21.51 C ATOM 0 H THR A 58 0.999 11.709 0.060 1.00 12.45 H new ATOM 0 HA THR A 58 2.783 11.415 -2.071 1.00 63.51 H new ATOM 0 HB THR A 58 2.762 13.875 -0.454 1.00 43.44 H new ATOM 0 HG1 THR A 58 0.524 14.327 -1.061 1.00 52.41 H new ATOM 0 HG21 THR A 58 2.111 14.967 -2.578 1.00 21.51 H new ATOM 0 HG22 THR A 58 3.576 13.969 -2.732 1.00 21.51 H new ATOM 0 HG23 THR A 58 2.019 13.365 -3.347 1.00 21.51 H new ATOM 834 N ARG A 59 4.210 12.128 0.829 1.00 53.04 N ATOM 835 CA ARG A 59 5.454 12.230 1.573 1.00 3.25 C ATOM 836 C ARG A 59 6.112 10.880 1.813 1.00 71.12 C ATOM 837 O ARG A 59 7.205 10.815 2.368 1.00 14.14 O ATOM 838 CB ARG A 59 5.103 12.958 2.861 1.00 41.03 C ATOM 839 CG ARG A 59 6.305 13.402 3.700 1.00 34.23 C ATOM 840 CD ARG A 59 5.887 14.658 4.464 1.00 32.35 C ATOM 841 NE ARG A 59 6.762 14.936 5.605 1.00 5.12 N ATOM 842 CZ ARG A 59 8.014 15.401 5.555 1.00 53.33 C ATOM 843 NH1 ARG A 59 8.608 15.692 4.404 1.00 42.34 N ATOM 844 NH2 ARG A 59 8.681 15.588 6.673 1.00 13.05 N ATOM 0 H ARG A 59 3.387 12.298 1.407 1.00 53.04 H new ATOM 0 HA ARG A 59 6.206 12.780 1.007 1.00 3.25 H new ATOM 0 HB2 ARG A 59 4.507 13.836 2.614 1.00 41.03 H new ATOM 0 HB3 ARG A 59 4.475 12.307 3.469 1.00 41.03 H new ATOM 0 HG2 ARG A 59 6.604 12.614 4.391 1.00 34.23 H new ATOM 0 HG3 ARG A 59 7.164 13.609 3.062 1.00 34.23 H new ATOM 0 HD2 ARG A 59 5.896 15.512 3.786 1.00 32.35 H new ATOM 0 HD3 ARG A 59 4.862 14.541 4.816 1.00 32.35 H new ATOM 0 HE ARG A 59 6.377 14.756 6.532 1.00 5.12 H new ATOM 0 HH11 ARG A 59 8.108 15.562 3.525 1.00 42.34 H new ATOM 0 HH12 ARG A 59 9.565 16.045 4.399 1.00 42.34 H new ATOM 0 HH21 ARG A 59 8.242 15.378 7.570 1.00 13.05 H new ATOM 0 HH22 ARG A 59 9.637 15.943 6.643 1.00 13.05 H new ATOM 855 N TRP A 60 5.442 9.797 1.442 1.00 52.24 N ATOM 856 CA TRP A 60 6.031 8.469 1.332 1.00 74.20 C ATOM 857 C TRP A 60 6.355 8.163 -0.130 1.00 70.10 C ATOM 858 O TRP A 60 7.479 7.773 -0.417 1.00 12.22 O ATOM 859 CB TRP A 60 5.139 7.407 1.995 1.00 41.24 C ATOM 860 CG TRP A 60 5.833 6.114 2.338 1.00 62.42 C ATOM 861 CD1 TRP A 60 7.028 6.017 2.965 1.00 41.23 C ATOM 862 CD2 TRP A 60 5.430 4.730 2.066 1.00 2.02 C ATOM 863 NE1 TRP A 60 7.404 4.694 3.063 1.00 62.13 N ATOM 864 CE2 TRP A 60 6.454 3.854 2.535 1.00 53.23 C ATOM 865 CE3 TRP A 60 4.307 4.118 1.470 1.00 41.44 C ATOM 866 CZ2 TRP A 60 6.372 2.460 2.416 1.00 51.01 C ATOM 867 CZ3 TRP A 60 4.216 2.719 1.331 1.00 64.53 C ATOM 868 CH2 TRP A 60 5.238 1.892 1.821 1.00 14.14 C ATOM 0 H TRP A 60 4.450 9.818 1.204 1.00 52.24 H new ATOM 0 HA TRP A 60 6.973 8.444 1.880 1.00 74.20 H new ATOM 0 HB2 TRP A 60 4.716 7.828 2.907 1.00 41.24 H new ATOM 0 HB3 TRP A 60 4.305 7.188 1.329 1.00 41.24 H new ATOM 0 HD1 TRP A 60 7.603 6.853 3.335 1.00 41.23 H new ATOM 0 HE1 TRP A 60 8.281 4.378 3.477 1.00 62.13 H new ATOM 0 HE3 TRP A 60 3.498 4.737 1.112 1.00 41.44 H new ATOM 0 HZ2 TRP A 60 7.172 1.832 2.778 1.00 51.01 H new ATOM 0 HZ3 TRP A 60 3.356 2.281 0.845 1.00 64.53 H new ATOM 0 HH2 TRP A 60 5.151 0.819 1.740 1.00 14.14 H new ATOM 878 N MET A 61 5.418 8.382 -1.058 1.00 23.44 N ATOM 879 CA MET A 61 5.572 8.175 -2.491 1.00 10.12 C ATOM 880 C MET A 61 6.806 8.896 -3.026 1.00 31.24 C ATOM 881 O MET A 61 7.773 8.262 -3.450 1.00 70.20 O ATOM 882 CB MET A 61 4.305 8.686 -3.199 1.00 65.22 C ATOM 883 CG MET A 61 3.080 7.788 -2.980 1.00 42.44 C ATOM 884 SD MET A 61 2.644 6.661 -4.335 1.00 54.04 S ATOM 885 CE MET A 61 2.438 7.856 -5.673 1.00 45.11 C ATOM 0 H MET A 61 4.489 8.725 -0.813 1.00 23.44 H new ATOM 0 HA MET A 61 5.707 7.111 -2.686 1.00 10.12 H new ATOM 0 HB2 MET A 61 4.078 9.691 -2.842 1.00 65.22 H new ATOM 0 HB3 MET A 61 4.502 8.765 -4.268 1.00 65.22 H new ATOM 0 HG2 MET A 61 3.250 7.192 -2.083 1.00 42.44 H new ATOM 0 HG3 MET A 61 2.221 8.428 -2.779 1.00 42.44 H new ATOM 0 HE1 MET A 61 1.495 7.668 -6.186 1.00 45.11 H new ATOM 0 HE2 MET A 61 2.433 8.865 -5.262 1.00 45.11 H new ATOM 0 HE3 MET A 61 3.262 7.756 -6.380 1.00 45.11 H new ATOM 893 N GLU A 62 6.753 10.224 -3.069 1.00 54.14 N ATOM 894 CA GLU A 62 7.735 11.052 -3.758 1.00 70.32 C ATOM 895 C GLU A 62 9.081 10.956 -3.055 1.00 62.42 C ATOM 896 O GLU A 62 10.133 10.964 -3.692 1.00 10.32 O ATOM 897 CB GLU A 62 7.257 12.508 -3.807 1.00 62.23 C ATOM 898 CG GLU A 62 5.827 12.616 -4.359 1.00 54.42 C ATOM 899 CD GLU A 62 5.558 13.894 -5.148 1.00 72.44 C ATOM 900 OE1 GLU A 62 6.046 13.955 -6.299 1.00 61.21 O ATOM 901 OE2 GLU A 62 4.730 14.730 -4.713 1.00 43.04 O ATOM 0 H GLU A 62 6.014 10.763 -2.618 1.00 54.14 H new ATOM 0 HA GLU A 62 7.849 10.691 -4.780 1.00 70.32 H new ATOM 0 HB2 GLU A 62 7.295 12.938 -2.806 1.00 62.23 H new ATOM 0 HB3 GLU A 62 7.933 13.093 -4.430 1.00 62.23 H new ATOM 0 HG2 GLU A 62 5.631 11.757 -5.001 1.00 54.42 H new ATOM 0 HG3 GLU A 62 5.123 12.560 -3.528 1.00 54.42 H new ATOM 906 N ALA A 63 9.033 10.763 -1.738 1.00 45.43 N ATOM 907 CA ALA A 63 10.194 10.595 -0.891 1.00 63.20 C ATOM 908 C ALA A 63 10.903 9.260 -1.102 1.00 44.04 C ATOM 909 O ALA A 63 11.974 9.065 -0.520 1.00 34.12 O ATOM 910 CB ALA A 63 9.752 10.703 0.567 1.00 11.35 C ATOM 0 H ALA A 63 8.154 10.719 -1.223 1.00 45.43 H new ATOM 0 HA ALA A 63 10.907 11.377 -1.153 1.00 63.20 H new ATOM 0 HB1 ALA A 63 10.616 10.578 1.219 1.00 11.35 H new ATOM 0 HB2 ALA A 63 9.305 11.682 0.740 1.00 11.35 H new ATOM 0 HB3 ALA A 63 9.019 9.926 0.784 1.00 11.35 H new ATOM 916 N ASN A 64 10.301 8.371 -1.890 1.00 63.11 N ATOM 917 CA ASN A 64 10.844 7.111 -2.368 1.00 51.42 C ATOM 918 C ASN A 64 10.952 7.124 -3.892 1.00 22.11 C ATOM 919 O ASN A 64 11.310 6.119 -4.492 1.00 53.33 O ATOM 920 CB ASN A 64 9.964 5.957 -1.872 1.00 61.13 C ATOM 921 CG ASN A 64 10.226 5.666 -0.409 1.00 23.41 C ATOM 922 OD1 ASN A 64 11.346 5.359 -0.020 1.00 31.45 O ATOM 923 ND2 ASN A 64 9.228 5.785 0.441 1.00 52.21 N ATOM 0 H ASN A 64 9.353 8.528 -2.233 1.00 63.11 H new ATOM 0 HA ASN A 64 11.850 6.970 -1.972 1.00 51.42 H new ATOM 0 HB2 ASN A 64 8.913 6.209 -2.014 1.00 61.13 H new ATOM 0 HB3 ASN A 64 10.161 5.064 -2.465 1.00 61.13 H new ATOM 0 HD21 ASN A 64 9.383 5.621 1.436 1.00 52.21 H new ATOM 0 HD22 ASN A 64 8.300 6.041 0.105 1.00 52.21 H new ATOM 929 N GLN A 65 10.647 8.246 -4.555 1.00 24.41 N ATOM 930 CA GLN A 65 10.731 8.403 -6.010 1.00 31.43 C ATOM 931 C GLN A 65 9.794 7.417 -6.734 1.00 21.25 C ATOM 932 O GLN A 65 9.951 7.158 -7.931 1.00 72.14 O ATOM 933 CB GLN A 65 12.201 8.320 -6.474 1.00 44.22 C ATOM 934 CG GLN A 65 13.108 9.362 -5.791 1.00 63.54 C ATOM 935 CD GLN A 65 14.566 8.917 -5.797 1.00 10.12 C ATOM 936 OE1 GLN A 65 15.296 9.153 -6.761 1.00 70.44 O ATOM 937 NE2 GLN A 65 15.029 8.275 -4.737 1.00 45.12 N ATOM 0 H GLN A 65 10.327 9.091 -4.081 1.00 24.41 H new ATOM 0 HA GLN A 65 10.375 9.396 -6.285 1.00 31.43 H new ATOM 0 HB2 GLN A 65 12.585 7.321 -6.268 1.00 44.22 H new ATOM 0 HB3 GLN A 65 12.244 8.461 -7.554 1.00 44.22 H new ATOM 0 HG2 GLN A 65 13.016 10.319 -6.304 1.00 63.54 H new ATOM 0 HG3 GLN A 65 12.777 9.517 -4.764 1.00 63.54 H new ATOM 0 HE21 GLN A 65 14.413 8.086 -3.946 1.00 45.12 H new ATOM 0 HE22 GLN A 65 16.002 7.969 -4.711 1.00 45.12 H new ATOM 944 N HIS A 66 8.778 6.929 -6.012 1.00 12.44 N ATOM 945 CA HIS A 66 7.784 5.942 -6.415 1.00 43.33 C ATOM 946 C HIS A 66 8.330 4.503 -6.542 1.00 65.40 C ATOM 947 O HIS A 66 7.635 3.652 -7.111 1.00 4.11 O ATOM 948 CB HIS A 66 6.971 6.395 -7.645 1.00 50.21 C ATOM 949 CG HIS A 66 6.263 7.726 -7.542 1.00 53.24 C ATOM 950 ND1 HIS A 66 5.600 8.350 -8.573 1.00 10.42 N ATOM 951 CD2 HIS A 66 6.109 8.513 -6.433 1.00 63.42 C ATOM 952 CE1 HIS A 66 5.055 9.478 -8.093 1.00 4.24 C ATOM 953 NE2 HIS A 66 5.351 9.629 -6.791 1.00 33.41 N ATOM 0 H HIS A 66 8.622 7.243 -5.054 1.00 12.44 H new ATOM 0 HA HIS A 66 7.082 5.888 -5.583 1.00 43.33 H new ATOM 0 HB2 HIS A 66 7.644 6.434 -8.501 1.00 50.21 H new ATOM 0 HB3 HIS A 66 6.225 5.629 -7.860 1.00 50.21 H new ATOM 0 HD1 HIS A 66 5.534 8.014 -9.534 1.00 10.42 H new ATOM 0 HD2 HIS A 66 6.506 8.306 -5.450 1.00 63.42 H new ATOM 0 HE1 HIS A 66 4.461 10.169 -8.673 1.00 4.24 H new ATOM 960 N SER A 67 9.505 4.181 -5.986 1.00 3.03 N ATOM 961 CA SER A 67 10.022 2.823 -5.933 1.00 44.03 C ATOM 962 C SER A 67 10.657 2.557 -4.569 1.00 22.51 C ATOM 963 O SER A 67 11.168 3.450 -3.907 1.00 53.31 O ATOM 964 CB SER A 67 10.979 2.550 -7.109 1.00 74.53 C ATOM 965 OG SER A 67 11.702 3.698 -7.521 1.00 74.31 O ATOM 0 H SER A 67 10.124 4.869 -5.558 1.00 3.03 H new ATOM 0 HA SER A 67 9.198 2.118 -6.045 1.00 44.03 H new ATOM 0 HB2 SER A 67 11.683 1.769 -6.822 1.00 74.53 H new ATOM 0 HB3 SER A 67 10.406 2.167 -7.954 1.00 74.53 H new ATOM 0 HG SER A 67 12.292 3.463 -8.267 1.00 74.31 H new ATOM 970 N LEU A 68 10.615 1.304 -4.139 1.00 41.23 N ATOM 971 CA LEU A 68 11.139 0.824 -2.861 1.00 51.12 C ATOM 972 C LEU A 68 11.996 -0.402 -3.107 1.00 53.44 C ATOM 973 O LEU A 68 12.008 -0.951 -4.212 1.00 33.45 O ATOM 974 CB LEU A 68 10.003 0.422 -1.908 1.00 33.52 C ATOM 975 CG LEU A 68 9.163 1.580 -1.353 1.00 22.14 C ATOM 976 CD1 LEU A 68 7.904 1.027 -0.679 1.00 42.23 C ATOM 977 CD2 LEU A 68 9.955 2.386 -0.327 1.00 43.33 C ATOM 0 H LEU A 68 10.196 0.558 -4.694 1.00 41.23 H new ATOM 0 HA LEU A 68 11.717 1.630 -2.409 1.00 51.12 H new ATOM 0 HB2 LEU A 68 9.340 -0.266 -2.432 1.00 33.52 H new ATOM 0 HB3 LEU A 68 10.433 -0.126 -1.070 1.00 33.52 H new ATOM 0 HG LEU A 68 8.893 2.231 -2.184 1.00 22.14 H new ATOM 0 HD11 LEU A 68 7.310 1.852 -0.286 1.00 42.23 H new ATOM 0 HD12 LEU A 68 7.315 0.471 -1.408 1.00 42.23 H new ATOM 0 HD13 LEU A 68 8.190 0.364 0.138 1.00 42.23 H new ATOM 0 HD21 LEU A 68 9.337 3.201 0.051 1.00 43.33 H new ATOM 0 HD22 LEU A 68 10.246 1.737 0.499 1.00 43.33 H new ATOM 0 HD23 LEU A 68 10.848 2.796 -0.798 1.00 43.33 H new ATOM 988 N ASN A 69 12.643 -0.888 -2.053 1.00 5.12 N ATOM 989 CA ASN A 69 13.404 -2.118 -2.100 1.00 3.14 C ATOM 990 C ASN A 69 13.245 -2.900 -0.804 1.00 42.31 C ATOM 991 O ASN A 69 13.767 -2.497 0.236 1.00 11.01 O ATOM 992 CB ASN A 69 14.847 -1.792 -2.432 1.00 74.52 C ATOM 993 CG ASN A 69 15.593 -3.093 -2.658 1.00 24.55 C ATOM 994 OD1 ASN A 69 15.939 -3.770 -1.700 1.00 24.55 O ATOM 995 ND2 ASN A 69 15.812 -3.504 -3.892 1.00 10.13 N ATOM 0 H ASN A 69 12.650 -0.433 -1.140 1.00 5.12 H new ATOM 0 HA ASN A 69 13.024 -2.770 -2.887 1.00 3.14 H new ATOM 0 HB2 ASN A 69 14.899 -1.166 -3.323 1.00 74.52 H new ATOM 0 HB3 ASN A 69 15.305 -1.229 -1.619 1.00 74.52 H new ATOM 0 HD21 ASN A 69 16.276 -4.397 -4.057 1.00 10.13 H new ATOM 0 HD22 ASN A 69 15.518 -2.928 -4.681 1.00 10.13 H new ATOM 1001 N ILE A 70 12.482 -3.992 -0.878 1.00 10.43 N ATOM 1002 CA ILE A 70 11.995 -4.772 0.255 1.00 4.01 C ATOM 1003 C ILE A 70 12.630 -6.155 0.143 1.00 73.42 C ATOM 1004 O ILE A 70 12.415 -6.875 -0.841 1.00 25.34 O ATOM 1005 CB ILE A 70 10.448 -4.758 0.243 1.00 52.00 C ATOM 1006 CG1 ILE A 70 9.937 -3.346 0.616 1.00 23.12 C ATOM 1007 CG2 ILE A 70 9.777 -5.791 1.169 1.00 10.05 C ATOM 1008 CD1 ILE A 70 8.876 -2.839 -0.359 1.00 45.43 C ATOM 0 H ILE A 70 12.174 -4.372 -1.773 1.00 10.43 H new ATOM 0 HA ILE A 70 12.278 -4.362 1.225 1.00 4.01 H new ATOM 0 HB ILE A 70 10.168 -5.037 -0.773 1.00 52.00 H new ATOM 0 HG12 ILE A 70 9.522 -3.366 1.624 1.00 23.12 H new ATOM 0 HG13 ILE A 70 10.776 -2.650 0.631 1.00 23.12 H new ATOM 0 HG21 ILE A 70 8.694 -5.702 1.089 1.00 10.05 H new ATOM 0 HG22 ILE A 70 10.081 -6.795 0.874 1.00 10.05 H new ATOM 0 HG23 ILE A 70 10.081 -5.608 2.199 1.00 10.05 H new ATOM 0 HD11 ILE A 70 8.548 -1.845 -0.056 1.00 45.43 H new ATOM 0 HD12 ILE A 70 9.298 -2.791 -1.363 1.00 45.43 H new ATOM 0 HD13 ILE A 70 8.024 -3.519 -0.355 1.00 45.43 H new ATOM 1019 N LEU A 71 13.487 -6.482 1.112 1.00 43.03 N ATOM 1020 CA LEU A 71 14.388 -7.624 1.228 1.00 54.10 C ATOM 1021 C LEU A 71 15.477 -7.616 0.155 1.00 21.15 C ATOM 1022 O LEU A 71 16.498 -8.279 0.333 1.00 62.54 O ATOM 1023 CB LEU A 71 13.644 -8.972 1.285 1.00 4.15 C ATOM 1024 CG LEU A 71 12.902 -9.259 2.604 1.00 71.12 C ATOM 1025 CD1 LEU A 71 11.626 -8.437 2.794 1.00 1.03 C ATOM 1026 CD2 LEU A 71 12.470 -10.720 2.618 1.00 1.25 C ATOM 0 H LEU A 71 13.574 -5.879 1.930 1.00 43.03 H new ATOM 0 HA LEU A 71 14.889 -7.512 2.189 1.00 54.10 H new ATOM 0 HB2 LEU A 71 12.924 -9.006 0.467 1.00 4.15 H new ATOM 0 HB3 LEU A 71 14.363 -9.773 1.110 1.00 4.15 H new ATOM 0 HG LEU A 71 13.601 -9.000 3.399 1.00 71.12 H new ATOM 0 HD11 LEU A 71 11.163 -8.698 3.746 1.00 1.03 H new ATOM 0 HD12 LEU A 71 11.873 -7.375 2.790 1.00 1.03 H new ATOM 0 HD13 LEU A 71 10.931 -8.651 1.982 1.00 1.03 H new ATOM 0 HD21 LEU A 71 11.943 -10.935 3.548 1.00 1.25 H new ATOM 0 HD22 LEU A 71 11.808 -10.912 1.773 1.00 1.25 H new ATOM 0 HD23 LEU A 71 13.349 -11.360 2.543 1.00 1.25 H new ATOM 1037 N GLY A 72 15.330 -6.826 -0.907 1.00 45.01 N ATOM 1038 CA GLY A 72 16.207 -6.776 -2.067 1.00 32.25 C ATOM 1039 C GLY A 72 15.424 -6.739 -3.380 1.00 63.44 C ATOM 1040 O GLY A 72 15.992 -6.429 -4.434 1.00 31.41 O ATOM 0 H GLY A 72 14.553 -6.170 -0.982 1.00 45.01 H new ATOM 0 HA2 GLY A 72 16.845 -5.894 -2.001 1.00 32.25 H new ATOM 0 HA3 GLY A 72 16.864 -7.646 -2.062 1.00 32.25 H new ATOM 1044 N GLN A 73 14.117 -7.023 -3.343 1.00 51.13 N ATOM 1045 CA GLN A 73 13.257 -6.946 -4.503 1.00 24.53 C ATOM 1046 C GLN A 73 13.005 -5.481 -4.781 1.00 63.53 C ATOM 1047 O GLN A 73 12.565 -4.751 -3.893 1.00 5.31 O ATOM 1048 CB GLN A 73 11.910 -7.618 -4.240 1.00 33.41 C ATOM 1049 CG GLN A 73 11.920 -9.137 -4.417 1.00 24.25 C ATOM 1050 CD GLN A 73 12.928 -9.881 -3.554 1.00 73.24 C ATOM 1051 OE1 GLN A 73 13.662 -10.719 -4.069 1.00 41.31 O ATOM 1052 NE2 GLN A 73 12.948 -9.666 -2.251 1.00 5.42 N ATOM 0 H GLN A 73 13.633 -7.314 -2.493 1.00 51.13 H new ATOM 0 HA GLN A 73 13.738 -7.450 -5.341 1.00 24.53 H new ATOM 0 HB2 GLN A 73 11.593 -7.384 -3.224 1.00 33.41 H new ATOM 0 HB3 GLN A 73 11.166 -7.190 -4.912 1.00 33.41 H new ATOM 0 HG2 GLN A 73 10.924 -9.519 -4.196 1.00 24.25 H new ATOM 0 HG3 GLN A 73 12.124 -9.364 -5.464 1.00 24.25 H new ATOM 0 HE21 GLN A 73 12.331 -8.965 -1.840 1.00 5.42 H new ATOM 0 HE22 GLN A 73 13.581 -10.201 -1.656 1.00 5.42 H new ATOM 1059 N LYS A 74 13.218 -5.090 -6.030 1.00 41.40 N ATOM 1060 CA LYS A 74 12.798 -3.801 -6.535 1.00 41.01 C ATOM 1061 C LYS A 74 11.283 -3.781 -6.531 1.00 33.13 C ATOM 1062 O LYS A 74 10.659 -4.680 -7.099 1.00 32.53 O ATOM 1063 CB LYS A 74 13.378 -3.601 -7.936 1.00 52.11 C ATOM 1064 CG LYS A 74 12.987 -2.229 -8.508 1.00 32.11 C ATOM 1065 CD LYS A 74 13.791 -1.899 -9.767 1.00 11.03 C ATOM 1066 CE LYS A 74 15.243 -1.618 -9.379 1.00 42.40 C ATOM 1067 NZ LYS A 74 16.047 -1.163 -10.521 1.00 2.31 N ATOM 0 H LYS A 74 13.692 -5.668 -6.724 1.00 41.40 H new ATOM 0 HA LYS A 74 13.161 -2.981 -5.915 1.00 41.01 H new ATOM 0 HB2 LYS A 74 14.464 -3.686 -7.899 1.00 52.11 H new ATOM 0 HB3 LYS A 74 13.019 -4.390 -8.597 1.00 52.11 H new ATOM 0 HG2 LYS A 74 11.922 -2.221 -8.742 1.00 32.11 H new ATOM 0 HG3 LYS A 74 13.154 -1.458 -7.755 1.00 32.11 H new ATOM 0 HD2 LYS A 74 13.745 -2.730 -10.470 1.00 11.03 H new ATOM 0 HD3 LYS A 74 13.362 -1.032 -10.270 1.00 11.03 H new ATOM 0 HE2 LYS A 74 15.267 -0.861 -8.596 1.00 42.40 H new ATOM 0 HE3 LYS A 74 15.687 -2.522 -8.962 1.00 42.40 H new ATOM 0 HZ1 LYS A 74 17.023 -0.985 -10.209 1.00 2.31 H new ATOM 0 HZ2 LYS A 74 16.047 -1.895 -11.259 1.00 2.31 H new ATOM 0 HZ3 LYS A 74 15.641 -0.286 -10.904 1.00 2.31 H new ATOM 1077 N VAL A 75 10.705 -2.758 -5.924 1.00 2.21 N ATOM 1078 CA VAL A 75 9.281 -2.542 -5.766 1.00 44.00 C ATOM 1079 C VAL A 75 8.941 -1.185 -6.371 1.00 41.20 C ATOM 1080 O VAL A 75 9.772 -0.280 -6.417 1.00 43.13 O ATOM 1081 CB VAL A 75 8.926 -2.714 -4.273 1.00 45.23 C ATOM 1082 CG1 VAL A 75 7.551 -2.155 -3.887 1.00 50.01 C ATOM 1083 CG2 VAL A 75 8.979 -4.208 -3.900 1.00 64.12 C ATOM 0 H VAL A 75 11.255 -2.010 -5.502 1.00 2.21 H new ATOM 0 HA VAL A 75 8.669 -3.270 -6.299 1.00 44.00 H new ATOM 0 HB VAL A 75 9.666 -2.136 -3.719 1.00 45.23 H new ATOM 0 HG11 VAL A 75 7.379 -2.316 -2.823 1.00 50.01 H new ATOM 0 HG12 VAL A 75 7.519 -1.087 -4.103 1.00 50.01 H new ATOM 0 HG13 VAL A 75 6.777 -2.665 -4.461 1.00 50.01 H new ATOM 0 HG21 VAL A 75 8.728 -4.329 -2.846 1.00 64.12 H new ATOM 0 HG22 VAL A 75 8.264 -4.761 -4.509 1.00 64.12 H new ATOM 0 HG23 VAL A 75 9.983 -4.593 -4.081 1.00 64.12 H new ATOM 1093 N SER A 76 7.707 -1.046 -6.841 1.00 65.33 N ATOM 1094 CA SER A 76 7.126 0.207 -7.309 1.00 31.41 C ATOM 1095 C SER A 76 5.867 0.502 -6.490 1.00 3.42 C ATOM 1096 O SER A 76 5.292 -0.428 -5.914 1.00 53.13 O ATOM 1097 CB SER A 76 6.858 0.102 -8.814 1.00 3.12 C ATOM 1098 OG SER A 76 6.208 -1.111 -9.162 1.00 42.41 O ATOM 0 H SER A 76 7.060 -1.831 -6.909 1.00 65.33 H new ATOM 0 HA SER A 76 7.809 1.045 -7.165 1.00 31.41 H new ATOM 0 HB2 SER A 76 6.244 0.945 -9.131 1.00 3.12 H new ATOM 0 HB3 SER A 76 7.802 0.174 -9.355 1.00 3.12 H new ATOM 0 HG SER A 76 6.055 -1.134 -10.130 1.00 42.41 H new ATOM 1103 N MET A 77 5.424 1.765 -6.430 1.00 63.44 N ATOM 1104 CA MET A 77 4.228 2.159 -5.682 1.00 21.42 C ATOM 1105 C MET A 77 3.284 3.030 -6.515 1.00 62.31 C ATOM 1106 O MET A 77 3.729 3.736 -7.428 1.00 24.42 O ATOM 1107 CB MET A 77 4.605 2.824 -4.352 1.00 23.14 C ATOM 1108 CG MET A 77 5.395 4.131 -4.463 1.00 54.41 C ATOM 1109 SD MET A 77 6.929 4.189 -3.490 1.00 25.53 S ATOM 1110 CE MET A 77 6.298 4.264 -1.795 1.00 73.51 C ATOM 0 H MET A 77 5.888 2.542 -6.901 1.00 63.44 H new ATOM 0 HA MET A 77 3.675 1.249 -5.449 1.00 21.42 H new ATOM 0 HB2 MET A 77 3.690 3.020 -3.793 1.00 23.14 H new ATOM 0 HB3 MET A 77 5.191 2.116 -3.766 1.00 23.14 H new ATOM 0 HG2 MET A 77 5.641 4.301 -5.511 1.00 54.41 H new ATOM 0 HG3 MET A 77 4.753 4.954 -4.149 1.00 54.41 H new ATOM 0 HE1 MET A 77 7.121 4.464 -1.109 1.00 73.51 H new ATOM 0 HE2 MET A 77 5.559 5.061 -1.717 1.00 73.51 H new ATOM 0 HE3 MET A 77 5.834 3.312 -1.537 1.00 73.51 H new ATOM 1118 N HIS A 78 1.985 2.972 -6.200 1.00 74.42 N ATOM 1119 CA HIS A 78 0.900 3.574 -6.971 1.00 34.51 C ATOM 1120 C HIS A 78 -0.232 4.082 -6.064 1.00 2.42 C ATOM 1121 O HIS A 78 -0.527 3.474 -5.028 1.00 73.10 O ATOM 1122 CB HIS A 78 0.305 2.510 -7.902 1.00 73.52 C ATOM 1123 CG HIS A 78 1.264 1.859 -8.866 1.00 10.41 C ATOM 1124 ND1 HIS A 78 1.342 2.137 -10.210 1.00 71.41 N ATOM 1125 CD2 HIS A 78 2.096 0.802 -8.605 1.00 23.21 C ATOM 1126 CE1 HIS A 78 2.198 1.265 -10.758 1.00 42.33 C ATOM 1127 NE2 HIS A 78 2.678 0.423 -9.822 1.00 14.13 N ATOM 0 H HIS A 78 1.652 2.485 -5.368 1.00 74.42 H new ATOM 0 HA HIS A 78 1.314 4.416 -7.526 1.00 34.51 H new ATOM 0 HB2 HIS A 78 -0.146 1.730 -7.288 1.00 73.52 H new ATOM 0 HB3 HIS A 78 -0.500 2.969 -8.476 1.00 73.52 H new ATOM 0 HD2 HIS A 78 2.271 0.346 -7.642 1.00 23.21 H new ATOM 0 HE1 HIS A 78 2.466 1.240 -11.804 1.00 42.33 H new ATOM 0 HE2 HIS A 78 3.337 -0.341 -9.970 1.00 14.13 H new ATOM 1134 N TYR A 79 -0.927 5.146 -6.485 1.00 21.44 N ATOM 1135 CA TYR A 79 -2.091 5.688 -5.795 1.00 65.52 C ATOM 1136 C TYR A 79 -3.366 4.907 -6.128 1.00 33.05 C ATOM 1137 O TYR A 79 -4.178 5.323 -6.961 1.00 34.35 O ATOM 1138 CB TYR A 79 -2.267 7.173 -6.123 1.00 72.52 C ATOM 1139 CG TYR A 79 -1.307 8.138 -5.463 1.00 74.31 C ATOM 1140 CD1 TYR A 79 -1.011 8.036 -4.088 1.00 31.24 C ATOM 1141 CD2 TYR A 79 -0.822 9.228 -6.206 1.00 2.24 C ATOM 1142 CE1 TYR A 79 -0.278 9.046 -3.448 1.00 62.53 C ATOM 1143 CE2 TYR A 79 -0.072 10.234 -5.577 1.00 64.50 C ATOM 1144 CZ TYR A 79 0.191 10.147 -4.194 1.00 70.22 C ATOM 1145 OH TYR A 79 0.869 11.148 -3.585 1.00 65.14 O ATOM 0 H TYR A 79 -0.686 5.660 -7.332 1.00 21.44 H new ATOM 0 HA TYR A 79 -1.915 5.584 -4.724 1.00 65.52 H new ATOM 0 HB2 TYR A 79 -2.181 7.294 -7.203 1.00 72.52 H new ATOM 0 HB3 TYR A 79 -3.281 7.463 -5.849 1.00 72.52 H new ATOM 0 HD1 TYR A 79 -1.350 7.178 -3.526 1.00 31.24 H new ATOM 0 HD2 TYR A 79 -1.027 9.292 -7.264 1.00 2.24 H new ATOM 0 HE1 TYR A 79 -0.074 8.981 -2.389 1.00 62.53 H new ATOM 0 HE2 TYR A 79 0.302 11.070 -6.149 1.00 64.50 H new ATOM 0 HH TYR A 79 1.697 11.329 -4.077 1.00 65.14 H new ATOM 1154 N SER A 80 -3.583 3.786 -5.446 1.00 12.25 N ATOM 1155 CA SER A 80 -4.730 2.907 -5.655 1.00 72.24 C ATOM 1156 C SER A 80 -5.847 3.279 -4.673 1.00 44.42 C ATOM 1157 O SER A 80 -6.209 2.483 -3.809 1.00 34.32 O ATOM 1158 CB SER A 80 -4.246 1.464 -5.503 1.00 21.11 C ATOM 1159 OG SER A 80 -4.955 0.561 -6.324 1.00 73.12 O ATOM 0 H SER A 80 -2.952 3.456 -4.716 1.00 12.25 H new ATOM 0 HA SER A 80 -5.152 3.019 -6.654 1.00 72.24 H new ATOM 0 HB2 SER A 80 -3.185 1.414 -5.747 1.00 21.11 H new ATOM 0 HB3 SER A 80 -4.348 1.159 -4.462 1.00 21.11 H new ATOM 0 HG SER A 80 -4.607 -0.345 -6.190 1.00 73.12 H new ATOM 1164 N ASP A 81 -6.345 4.513 -4.777 1.00 10.34 N ATOM 1165 CA ASP A 81 -7.382 5.099 -3.910 1.00 70.14 C ATOM 1166 C ASP A 81 -8.643 4.227 -3.769 1.00 73.10 C ATOM 1167 O ASP A 81 -8.898 3.379 -4.627 1.00 32.33 O ATOM 1168 CB ASP A 81 -7.730 6.511 -4.405 1.00 14.12 C ATOM 1169 CG ASP A 81 -8.320 6.620 -5.816 1.00 65.31 C ATOM 1170 OD1 ASP A 81 -9.097 5.766 -6.277 1.00 32.33 O ATOM 1171 OD2 ASP A 81 -7.991 7.626 -6.482 1.00 12.12 O ATOM 0 H ASP A 81 -6.027 5.162 -5.496 1.00 10.34 H new ATOM 0 HA ASP A 81 -6.963 5.154 -2.905 1.00 70.14 H new ATOM 0 HB2 ASP A 81 -8.439 6.952 -3.705 1.00 14.12 H new ATOM 0 HB3 ASP A 81 -6.825 7.118 -4.367 1.00 14.12 H new ATOM 1175 N PRO A 82 -9.427 4.357 -2.677 1.00 21.44 N ATOM 1176 CA PRO A 82 -10.572 3.476 -2.438 1.00 13.21 C ATOM 1177 C PRO A 82 -11.657 3.661 -3.503 1.00 73.41 C ATOM 1178 O PRO A 82 -12.126 2.667 -4.055 1.00 42.22 O ATOM 1179 CB PRO A 82 -11.078 3.803 -1.029 1.00 2.32 C ATOM 1180 CG PRO A 82 -10.563 5.218 -0.770 1.00 34.11 C ATOM 1181 CD PRO A 82 -9.241 5.248 -1.534 1.00 61.40 C ATOM 0 HA PRO A 82 -10.284 2.427 -2.506 1.00 13.21 H new ATOM 0 HB2 PRO A 82 -12.166 3.758 -0.975 1.00 2.32 H new ATOM 0 HB3 PRO A 82 -10.693 3.097 -0.293 1.00 2.32 H new ATOM 0 HG2 PRO A 82 -11.258 5.974 -1.136 1.00 34.11 H new ATOM 0 HG3 PRO A 82 -10.419 5.406 0.294 1.00 34.11 H new ATOM 0 HD2 PRO A 82 -9.000 6.260 -1.861 1.00 61.40 H new ATOM 0 HD3 PRO A 82 -8.417 4.912 -0.905 1.00 61.40 H new ATOM 1186 N LYS A 83 -11.970 4.923 -3.811 1.00 41.40 N ATOM 1187 CA LYS A 83 -12.986 5.475 -4.708 1.00 62.14 C ATOM 1188 C LYS A 83 -14.414 5.042 -4.351 1.00 71.04 C ATOM 1189 O LYS A 83 -14.605 4.107 -3.573 1.00 12.25 O ATOM 1190 CB LYS A 83 -12.611 5.245 -6.185 1.00 3.43 C ATOM 1191 CG LYS A 83 -13.053 3.904 -6.792 1.00 65.32 C ATOM 1192 CD LYS A 83 -13.084 3.974 -8.319 1.00 30.05 C ATOM 1193 CE LYS A 83 -14.225 4.882 -8.793 1.00 65.12 C ATOM 1194 NZ LYS A 83 -14.065 5.241 -10.208 1.00 11.33 N ATOM 0 H LYS A 83 -11.444 5.682 -3.377 1.00 41.40 H new ATOM 0 HA LYS A 83 -12.995 6.555 -4.557 1.00 62.14 H new ATOM 0 HB2 LYS A 83 -13.044 6.050 -6.779 1.00 3.43 H new ATOM 0 HB3 LYS A 83 -11.528 5.325 -6.281 1.00 3.43 H new ATOM 0 HG2 LYS A 83 -12.371 3.115 -6.475 1.00 65.32 H new ATOM 0 HG3 LYS A 83 -14.042 3.640 -6.417 1.00 65.32 H new ATOM 0 HD2 LYS A 83 -12.132 4.353 -8.691 1.00 30.05 H new ATOM 0 HD3 LYS A 83 -13.212 2.973 -8.732 1.00 30.05 H new ATOM 0 HE2 LYS A 83 -15.180 4.376 -8.649 1.00 65.12 H new ATOM 0 HE3 LYS A 83 -14.249 5.787 -8.186 1.00 65.12 H new ATOM 0 HZ1 LYS A 83 -14.851 5.856 -10.501 1.00 11.33 H new ATOM 0 HZ2 LYS A 83 -13.164 5.745 -10.339 1.00 11.33 H new ATOM 0 HZ3 LYS A 83 -14.066 4.377 -10.788 1.00 11.33 H new ATOM 1204 N PRO A 84 -15.458 5.697 -4.882 1.00 43.33 N ATOM 1205 CA PRO A 84 -16.805 5.168 -4.838 1.00 13.34 C ATOM 1206 C PRO A 84 -16.880 3.909 -5.711 1.00 4.13 C ATOM 1207 O PRO A 84 -16.748 3.981 -6.936 1.00 2.25 O ATOM 1208 CB PRO A 84 -17.723 6.294 -5.292 1.00 1.52 C ATOM 1209 CG PRO A 84 -16.843 7.168 -6.176 1.00 23.34 C ATOM 1210 CD PRO A 84 -15.444 6.961 -5.603 1.00 34.04 C ATOM 0 HA PRO A 84 -17.114 4.852 -3.841 1.00 13.34 H new ATOM 0 HB2 PRO A 84 -18.581 5.909 -5.843 1.00 1.52 H new ATOM 0 HB3 PRO A 84 -18.114 6.854 -4.443 1.00 1.52 H new ATOM 0 HG2 PRO A 84 -16.897 6.864 -7.221 1.00 23.34 H new ATOM 0 HG3 PRO A 84 -17.144 8.215 -6.132 1.00 23.34 H new ATOM 0 HD2 PRO A 84 -14.701 6.941 -6.400 1.00 34.04 H new ATOM 0 HD3 PRO A 84 -15.176 7.781 -4.937 1.00 34.04 H new ATOM 1215 N LYS A 85 -16.949 2.744 -5.063 1.00 23.02 N ATOM 1216 CA LYS A 85 -17.130 1.430 -5.696 1.00 31.42 C ATOM 1217 C LYS A 85 -18.444 0.756 -5.254 1.00 32.02 C ATOM 1218 O LYS A 85 -18.491 -0.470 -5.101 1.00 31.33 O ATOM 1219 CB LYS A 85 -15.935 0.509 -5.394 1.00 2.32 C ATOM 1220 CG LYS A 85 -14.634 0.969 -6.051 1.00 13.32 C ATOM 1221 CD LYS A 85 -13.828 -0.226 -6.561 1.00 11.15 C ATOM 1222 CE LYS A 85 -12.494 0.249 -7.131 1.00 1.14 C ATOM 1223 NZ LYS A 85 -12.084 -0.522 -8.318 1.00 11.25 N ATOM 0 H LYS A 85 -16.878 2.685 -4.047 1.00 23.02 H new ATOM 0 HA LYS A 85 -17.186 1.597 -6.772 1.00 31.42 H new ATOM 0 HB2 LYS A 85 -15.790 0.456 -4.315 1.00 2.32 H new ATOM 0 HB3 LYS A 85 -16.168 -0.500 -5.734 1.00 2.32 H new ATOM 0 HG2 LYS A 85 -14.858 1.642 -6.879 1.00 13.32 H new ATOM 0 HG3 LYS A 85 -14.039 1.534 -5.333 1.00 13.32 H new ATOM 0 HD2 LYS A 85 -13.655 -0.932 -5.749 1.00 11.15 H new ATOM 0 HD3 LYS A 85 -14.393 -0.755 -7.328 1.00 11.15 H new ATOM 0 HE2 LYS A 85 -12.570 1.304 -7.395 1.00 1.14 H new ATOM 0 HE3 LYS A 85 -11.724 0.167 -6.364 1.00 1.14 H new ATOM 0 HZ1 LYS A 85 -11.173 -0.162 -8.668 1.00 11.25 H new ATOM 0 HZ2 LYS A 85 -11.985 -1.525 -8.063 1.00 11.25 H new ATOM 0 HZ3 LYS A 85 -12.804 -0.423 -9.062 1.00 11.25 H new ATOM 1233 N ILE A 86 -19.458 1.519 -4.860 1.00 74.20 N ATOM 1234 CA ILE A 86 -20.731 0.992 -4.381 1.00 61.14 C ATOM 1235 C ILE A 86 -21.437 0.301 -5.573 1.00 3.15 C ATOM 1236 O ILE A 86 -21.111 0.526 -6.743 1.00 45.50 O ATOM 1237 CB ILE A 86 -21.566 2.125 -3.718 1.00 52.14 C ATOM 1238 CG1 ILE A 86 -20.805 3.003 -2.682 1.00 12.22 C ATOM 1239 CG2 ILE A 86 -22.753 1.533 -2.932 1.00 2.43 C ATOM 1240 CD1 ILE A 86 -19.743 3.988 -3.180 1.00 22.22 C ATOM 0 H ILE A 86 -19.418 2.538 -4.865 1.00 74.20 H new ATOM 0 HA ILE A 86 -20.592 0.245 -3.600 1.00 61.14 H new ATOM 0 HB ILE A 86 -21.855 2.746 -4.566 1.00 52.14 H new ATOM 0 HG12 ILE A 86 -21.548 3.574 -2.126 1.00 12.22 H new ATOM 0 HG13 ILE A 86 -20.323 2.331 -1.972 1.00 12.22 H new ATOM 0 HG21 ILE A 86 -23.326 2.340 -2.475 1.00 2.43 H new ATOM 0 HG22 ILE A 86 -23.395 0.972 -3.611 1.00 2.43 H new ATOM 0 HG23 ILE A 86 -22.379 0.868 -2.154 1.00 2.43 H new ATOM 0 HD11 ILE A 86 -19.312 4.518 -2.331 1.00 22.22 H new ATOM 0 HD12 ILE A 86 -18.958 3.443 -3.704 1.00 22.22 H new ATOM 0 HD13 ILE A 86 -20.202 4.705 -3.860 1.00 22.22 H new ATOM 1251 N ASN A 87 -22.377 -0.603 -5.289 1.00 1.53 N ATOM 1252 CA ASN A 87 -23.267 -1.149 -6.304 1.00 63.14 C ATOM 1253 C ASN A 87 -24.390 -0.139 -6.525 1.00 65.12 C ATOM 1254 O ASN A 87 -24.899 0.426 -5.559 1.00 45.21 O ATOM 1255 CB ASN A 87 -23.806 -2.527 -5.902 1.00 72.01 C ATOM 1256 CG ASN A 87 -24.976 -2.476 -4.926 1.00 4.33 C ATOM 1257 OD1 ASN A 87 -26.130 -2.542 -5.333 1.00 22.31 O ATOM 1258 ND2 ASN A 87 -24.719 -2.361 -3.632 1.00 65.34 N ATOM 0 H ASN A 87 -22.539 -0.973 -4.352 1.00 1.53 H new ATOM 0 HA ASN A 87 -22.723 -1.307 -7.235 1.00 63.14 H new ATOM 0 HB2 ASN A 87 -24.119 -3.059 -6.800 1.00 72.01 H new ATOM 0 HB3 ASN A 87 -22.998 -3.105 -5.454 1.00 72.01 H new ATOM 0 HD21 ASN A 87 -25.486 -2.326 -2.961 1.00 65.34 H new ATOM 0 HD22 ASN A 87 -23.754 -2.307 -3.307 1.00 65.34 H new ATOM 1264 N GLU A 88 -24.744 0.090 -7.786 1.00 5.41 N ATOM 1265 CA GLU A 88 -25.614 1.171 -8.236 1.00 71.20 C ATOM 1266 C GLU A 88 -25.221 2.483 -7.554 1.00 4.41 C ATOM 1267 O GLU A 88 -25.879 3.015 -6.660 1.00 74.04 O ATOM 1268 CB GLU A 88 -27.096 0.761 -8.185 1.00 53.33 C ATOM 1269 CG GLU A 88 -27.570 0.255 -9.565 1.00 50.24 C ATOM 1270 CD GLU A 88 -26.684 -0.869 -10.124 1.00 43.13 C ATOM 1271 OE1 GLU A 88 -26.975 -2.055 -9.846 1.00 31.22 O ATOM 1272 OE2 GLU A 88 -25.666 -0.577 -10.799 1.00 14.14 O ATOM 0 H GLU A 88 -24.419 -0.497 -8.554 1.00 5.41 H new ATOM 0 HA GLU A 88 -25.466 1.373 -9.297 1.00 71.20 H new ATOM 0 HB2 GLU A 88 -27.237 -0.020 -7.438 1.00 53.33 H new ATOM 0 HB3 GLU A 88 -27.703 1.612 -7.876 1.00 53.33 H new ATOM 0 HG2 GLU A 88 -28.596 -0.104 -9.482 1.00 50.24 H new ATOM 0 HG3 GLU A 88 -27.580 1.088 -10.268 1.00 50.24 H new ATOM 1277 N ASP A 89 -24.067 2.978 -7.988 1.00 1.24 N ATOM 1278 CA ASP A 89 -23.315 4.059 -7.366 1.00 62.11 C ATOM 1279 C ASP A 89 -23.951 5.441 -7.605 1.00 72.24 C ATOM 1280 O ASP A 89 -23.613 6.427 -6.946 1.00 30.24 O ATOM 1281 CB ASP A 89 -21.888 4.004 -7.918 1.00 61.40 C ATOM 1282 CG ASP A 89 -20.851 4.426 -6.885 1.00 5.41 C ATOM 1283 OD1 ASP A 89 -20.937 5.588 -6.429 1.00 53.52 O ATOM 1284 OD2 ASP A 89 -19.935 3.641 -6.564 1.00 53.51 O ATOM 0 H ASP A 89 -23.609 2.617 -8.825 1.00 1.24 H new ATOM 0 HA ASP A 89 -23.318 3.922 -6.285 1.00 62.11 H new ATOM 0 HB2 ASP A 89 -21.670 2.991 -8.255 1.00 61.40 H new ATOM 0 HB3 ASP A 89 -21.813 4.653 -8.791 1.00 61.40 H new ATOM 1288 N TRP A 90 -24.877 5.529 -8.564 1.00 23.01 N ATOM 1289 CA TRP A 90 -25.587 6.739 -8.955 1.00 32.21 C ATOM 1290 C TRP A 90 -27.103 6.548 -9.022 1.00 3.51 C ATOM 1291 O TRP A 90 -27.797 7.475 -9.448 1.00 44.24 O ATOM 1292 CB TRP A 90 -25.027 7.230 -10.295 1.00 3.43 C ATOM 1293 CG TRP A 90 -25.172 6.301 -11.465 1.00 54.32 C ATOM 1294 CD1 TRP A 90 -24.349 5.269 -11.724 1.00 24.05 C ATOM 1295 CD2 TRP A 90 -26.189 6.254 -12.514 1.00 71.12 C ATOM 1296 NE1 TRP A 90 -24.767 4.579 -12.835 1.00 30.42 N ATOM 1297 CE2 TRP A 90 -25.923 5.124 -13.349 1.00 21.13 C ATOM 1298 CE3 TRP A 90 -27.344 7.007 -12.813 1.00 65.30 C ATOM 1299 CZ2 TRP A 90 -26.772 4.747 -14.398 1.00 31.31 C ATOM 1300 CZ3 TRP A 90 -28.190 6.652 -13.882 1.00 2.23 C ATOM 1301 CH2 TRP A 90 -27.911 5.522 -14.671 1.00 4.24 C ATOM 0 H TRP A 90 -25.162 4.717 -9.112 1.00 23.01 H new ATOM 0 HA TRP A 90 -25.423 7.493 -8.185 1.00 32.21 H new ATOM 0 HB2 TRP A 90 -25.517 8.171 -10.545 1.00 3.43 H new ATOM 0 HB3 TRP A 90 -23.967 7.448 -10.162 1.00 3.43 H new ATOM 0 HD1 TRP A 90 -23.478 5.017 -11.138 1.00 24.05 H new ATOM 0 HE1 TRP A 90 -24.285 3.770 -13.228 1.00 30.42 H new ATOM 0 HE3 TRP A 90 -27.584 7.871 -12.211 1.00 65.30 H new ATOM 0 HZ2 TRP A 90 -26.553 3.871 -14.990 1.00 31.31 H new ATOM 0 HZ3 TRP A 90 -29.061 7.253 -14.098 1.00 2.23 H new ATOM 0 HH2 TRP A 90 -28.569 5.251 -15.483 1.00 4.24 H new ATOM 1311 N LEU A 91 -27.594 5.364 -8.641 1.00 5.45 N ATOM 1312 CA LEU A 91 -29.010 5.109 -8.408 1.00 70.21 C ATOM 1313 C LEU A 91 -29.145 5.162 -6.905 1.00 45.21 C ATOM 1314 O LEU A 91 -29.222 6.287 -6.379 1.00 22.31 O ATOM 1315 CB LEU A 91 -29.499 3.772 -9.014 1.00 32.44 C ATOM 1316 CG LEU A 91 -30.169 3.830 -10.397 1.00 22.43 C ATOM 1317 CD1 LEU A 91 -31.395 4.748 -10.407 1.00 50.23 C ATOM 1318 CD2 LEU A 91 -29.187 4.247 -11.493 1.00 23.14 C ATOM 0 H LEU A 91 -27.005 4.546 -8.485 1.00 5.45 H new ATOM 0 HA LEU A 91 -29.645 5.842 -8.906 1.00 70.21 H new ATOM 0 HB2 LEU A 91 -28.644 3.099 -9.081 1.00 32.44 H new ATOM 0 HB3 LEU A 91 -30.205 3.323 -8.315 1.00 32.44 H new ATOM 0 HG LEU A 91 -30.506 2.816 -10.611 1.00 22.43 H new ATOM 0 HD11 LEU A 91 -31.835 4.757 -11.404 1.00 50.23 H new ATOM 0 HD12 LEU A 91 -32.130 4.382 -9.690 1.00 50.23 H new ATOM 0 HD13 LEU A 91 -31.094 5.759 -10.134 1.00 50.23 H new ATOM 0 HD21 LEU A 91 -29.703 4.275 -12.453 1.00 23.14 H new ATOM 0 HD22 LEU A 91 -28.788 5.236 -11.267 1.00 23.14 H new ATOM 0 HD23 LEU A 91 -28.369 3.528 -11.542 1.00 23.14 H new TER 1329 LEU A 91