USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 770 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 53 THR OG1 : rot 144:sc= 1.23 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -4.74! C(o=-3.5!,f=-2.9!) USER MOD Set 2.1: A 38 TYR OH : rot 2:sc= 0.573 USER MOD Set 2.2: A 55 HIS : no HE2:sc= -1.06 K(o=-0.49,f=-2.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= -0.0797 (180deg=-0.295) USER MOD Single : A 2 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.73) USER MOD Single : A 4 ASN : amide:sc= -0.195 K(o=-0.19,f=-2.5!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -8.94! C(o=-8.9!,f=-19!) USER MOD Single : A 9 ASN : amide:sc= -0.0696 X(o=-0.07,f=-0.41) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0465 USER MOD Single : A 21 THR OG1 : rot 89:sc= 1.16 USER MOD Single : A 23 LYS NZ :NH3+ -129:sc= 0.057 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00699 X(o=-0.007,f=-0.29) USER MOD Single : A 30 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 35 ASN : amide:sc= -1.91 K(o=-1.9,f=-1.3) USER MOD Single : A 36 GLN : amide:sc= -0.0253 K(o=-0.025,f=-1.3) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.844 USER MOD Single : A 48 HIS : no HD1:sc= -4.59 X(o=-4.6,f=-4.9!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -170:sc= -2.86 USER MOD Single : A 57 ASN : amide:sc= -2.08 K(o=-2.1,f=-4) USER MOD Single : A 64 SER OG : rot 180:sc= -1.47 USER MOD Single : A 68 GLN : amide:sc= -0.0089 K(o=-0.0089,f=-1.1) USER MOD Single : A 70 MET CE :methyl -170:sc= -16.3! (180deg=-17.4!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -175:sc= -0.0319 (180deg=-0.1) USER MOD Single : A 84 GLN : amide:sc=-0.000836 X(o=-0.00084,f=0) USER MOD Single : A 86 THR OG1 : rot -72:sc= 0.56 USER MOD Single : A 87 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0058) USER MOD Single : A 88 HIS : no HE2:sc= -9.17! K(o=-9.2!,f=-4.8) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -1.82 K(o=-1.8,f=-1) USER MOD Single : A 95 HIS : no HD1:sc= -0.683 X(o=-0.68,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.419 -10.632 -5.912 1.00 0.00 N ATOM 2 CA MET A 1 4.390 -9.852 -6.646 1.00 0.00 C ATOM 3 C MET A 1 3.002 -10.459 -6.462 1.00 0.00 C ATOM 4 O MET A 1 2.151 -10.362 -7.345 1.00 0.00 O ATOM 5 CB MET A 1 4.763 -9.827 -8.129 1.00 0.00 C ATOM 6 CG MET A 1 5.912 -8.886 -8.452 1.00 0.00 C ATOM 7 SD MET A 1 6.848 -9.407 -9.903 1.00 0.00 S ATOM 8 CE MET A 1 7.834 -7.944 -10.213 1.00 0.00 C ATOM 0 H1 MET A 1 6.317 -10.601 -6.436 1.00 0.00 H new ATOM 0 H2 MET A 1 5.556 -10.222 -4.966 1.00 0.00 H new ATOM 0 H3 MET A 1 5.106 -11.619 -5.820 1.00 0.00 H new ATOM 0 HA MET A 1 4.360 -8.837 -6.249 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.031 -10.835 -8.445 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.889 -9.532 -8.710 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.519 -7.883 -8.618 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.582 -8.828 -7.594 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.468 -8.111 -11.084 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.176 -7.095 -10.400 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.458 -7.735 -9.344 1.00 0.00 H new ATOM 20 N GLN A 2 2.784 -11.085 -5.310 1.00 0.00 N ATOM 21 CA GLN A 2 1.498 -11.706 -5.012 1.00 0.00 C ATOM 22 C GLN A 2 0.589 -10.741 -4.258 1.00 0.00 C ATOM 23 O GLN A 2 0.161 -11.021 -3.136 1.00 0.00 O ATOM 24 CB GLN A 2 1.703 -12.983 -4.193 1.00 0.00 C ATOM 25 CG GLN A 2 0.639 -14.039 -4.438 1.00 0.00 C ATOM 26 CD GLN A 2 0.594 -14.497 -5.882 1.00 0.00 C ATOM 27 OE1 GLN A 2 1.624 -14.593 -6.548 1.00 0.00 O ATOM 28 NE2 GLN A 2 -0.607 -14.781 -6.374 1.00 0.00 N ATOM 0 H GLN A 2 3.479 -11.176 -4.569 1.00 0.00 H new ATOM 0 HA GLN A 2 1.018 -11.963 -5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.681 -13.403 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.713 -12.728 -3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.830 -14.898 -3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.335 -13.640 -4.157 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.435 -14.687 -5.785 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.701 -15.093 -7.341 1.00 0.00 H new ATOM 37 N LEU A 3 0.295 -9.605 -4.881 1.00 0.00 N ATOM 38 CA LEU A 3 -0.567 -8.599 -4.269 1.00 0.00 C ATOM 39 C LEU A 3 -2.002 -8.740 -4.765 1.00 0.00 C ATOM 40 O LEU A 3 -2.246 -8.873 -5.965 1.00 0.00 O ATOM 41 CB LEU A 3 -0.044 -7.192 -4.571 1.00 0.00 C ATOM 42 CG LEU A 3 -0.073 -6.789 -6.051 1.00 0.00 C ATOM 43 CD1 LEU A 3 -0.833 -5.484 -6.236 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.341 -6.666 -6.598 1.00 0.00 C ATOM 0 H LEU A 3 0.640 -9.357 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.557 -8.756 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.634 -6.473 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.982 -7.118 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.591 -7.569 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.842 -5.215 -7.292 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.857 -5.606 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.345 -4.694 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.301 -6.380 -7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.884 -5.907 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.853 -7.624 -6.502 1.00 0.00 H new ATOM 56 N ASN A 4 -2.951 -8.713 -3.834 1.00 0.00 N ATOM 57 CA ASN A 4 -4.361 -8.840 -4.178 1.00 0.00 C ATOM 58 C ASN A 4 -5.188 -7.763 -3.484 1.00 0.00 C ATOM 59 O ASN A 4 -4.972 -7.459 -2.312 1.00 0.00 O ATOM 60 CB ASN A 4 -4.879 -10.226 -3.790 1.00 0.00 C ATOM 61 CG ASN A 4 -4.780 -11.222 -4.930 1.00 0.00 C ATOM 62 OD1 ASN A 4 -4.663 -10.841 -6.094 1.00 0.00 O ATOM 63 ND2 ASN A 4 -4.828 -12.507 -4.598 1.00 0.00 N ATOM 0 H ASN A 4 -2.768 -8.604 -2.836 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.460 -8.711 -5.256 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.311 -10.597 -2.937 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.918 -10.146 -3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.767 -13.223 -5.322 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.926 -12.778 -3.619 1.00 0.00 H new ATOM 70 N ILE A 5 -6.137 -7.189 -4.216 1.00 0.00 N ATOM 71 CA ILE A 5 -6.997 -6.144 -3.669 1.00 0.00 C ATOM 72 C ILE A 5 -8.467 -6.529 -3.775 1.00 0.00 C ATOM 73 O ILE A 5 -8.858 -7.287 -4.662 1.00 0.00 O ATOM 74 CB ILE A 5 -6.785 -4.789 -4.379 1.00 0.00 C ATOM 75 CG1 ILE A 5 -6.318 -4.995 -5.823 1.00 0.00 C ATOM 76 CG2 ILE A 5 -5.786 -3.938 -3.610 1.00 0.00 C ATOM 77 CD1 ILE A 5 -6.678 -3.849 -6.743 1.00 0.00 C ATOM 0 H ILE A 5 -6.330 -7.429 -5.188 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.720 -6.038 -2.620 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.740 -4.265 -4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.237 -5.131 -5.831 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.757 -5.914 -6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.648 -2.986 -4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.162 -3.756 -2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.831 -4.461 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.317 -4.063 -7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.761 -3.726 -6.765 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.216 -2.931 -6.379 1.00 0.00 H new ATOM 89 N THR A 6 -9.279 -5.990 -2.872 1.00 0.00 N ATOM 90 CA THR A 6 -10.709 -6.265 -2.868 1.00 0.00 C ATOM 91 C THR A 6 -11.491 -4.967 -2.689 1.00 0.00 C ATOM 92 O THR A 6 -11.342 -4.278 -1.680 1.00 0.00 O ATOM 93 CB THR A 6 -11.061 -7.247 -1.749 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.971 -8.110 -1.479 1.00 0.00 O ATOM 95 CG2 THR A 6 -12.262 -8.109 -2.067 1.00 0.00 C ATOM 0 H THR A 6 -8.969 -5.359 -2.133 1.00 0.00 H new ATOM 0 HA THR A 6 -10.979 -6.714 -3.824 1.00 0.00 H new ATOM 0 HB THR A 6 -11.298 -6.628 -0.884 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.215 -8.729 -0.760 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.458 -8.783 -1.233 1.00 0.00 H new ATOM 0 HG22 THR A 6 -13.132 -7.474 -2.232 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.063 -8.693 -2.966 1.00 0.00 H new ATOM 103 N GLY A 7 -12.314 -4.635 -3.676 1.00 0.00 N ATOM 104 CA GLY A 7 -13.093 -3.416 -3.607 1.00 0.00 C ATOM 105 C GLY A 7 -14.519 -3.650 -3.153 1.00 0.00 C ATOM 106 O GLY A 7 -15.251 -4.434 -3.758 1.00 0.00 O ATOM 0 H GLY A 7 -12.455 -5.188 -4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.609 -2.720 -2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.103 -2.942 -4.588 1.00 0.00 H new ATOM 110 N ASN A 8 -14.917 -2.963 -2.087 1.00 0.00 N ATOM 111 CA ASN A 8 -16.268 -3.090 -1.552 1.00 0.00 C ATOM 112 C ASN A 8 -17.085 -1.842 -1.868 1.00 0.00 C ATOM 113 O ASN A 8 -16.816 -0.763 -1.342 1.00 0.00 O ATOM 114 CB ASN A 8 -16.223 -3.319 -0.038 1.00 0.00 C ATOM 115 CG ASN A 8 -15.576 -2.174 0.703 1.00 0.00 C ATOM 116 OD1 ASN A 8 -16.234 -1.185 1.020 1.00 0.00 O ATOM 117 ND2 ASN A 8 -14.285 -2.305 0.986 1.00 0.00 N ATOM 0 H ASN A 8 -14.322 -2.311 -1.576 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.745 -3.949 -2.023 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.237 -3.461 0.335 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.675 -4.238 0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -13.795 -1.565 1.488 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -13.783 -3.146 0.701 1.00 0.00 H new ATOM 124 N ASN A 9 -18.081 -1.993 -2.736 1.00 0.00 N ATOM 125 CA ASN A 9 -18.931 -0.873 -3.127 1.00 0.00 C ATOM 126 C ASN A 9 -18.125 0.175 -3.886 1.00 0.00 C ATOM 127 O ASN A 9 -18.344 1.377 -3.728 1.00 0.00 O ATOM 128 CB ASN A 9 -19.583 -0.241 -1.895 1.00 0.00 C ATOM 129 CG ASN A 9 -20.750 0.657 -2.255 1.00 0.00 C ATOM 130 OD1 ASN A 9 -21.639 0.265 -3.010 1.00 0.00 O ATOM 131 ND2 ASN A 9 -20.752 1.870 -1.715 1.00 0.00 N ATOM 0 H ASN A 9 -18.319 -2.879 -3.182 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.713 -1.253 -3.784 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.928 -1.029 -1.225 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.838 0.338 -1.349 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -21.512 2.519 -1.921 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.994 2.153 -1.094 1.00 0.00 H new ATOM 138 N VAL A 10 -17.193 -0.288 -4.712 1.00 0.00 N ATOM 139 CA VAL A 10 -16.354 0.606 -5.500 1.00 0.00 C ATOM 140 C VAL A 10 -15.907 -0.060 -6.797 1.00 0.00 C ATOM 141 O VAL A 10 -15.471 -1.211 -6.796 1.00 0.00 O ATOM 142 CB VAL A 10 -15.114 1.057 -4.706 1.00 0.00 C ATOM 143 CG1 VAL A 10 -14.271 -0.143 -4.317 1.00 0.00 C ATOM 144 CG2 VAL A 10 -14.296 2.060 -5.507 1.00 0.00 C ATOM 0 H VAL A 10 -17.000 -1.280 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.958 1.481 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.448 1.551 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.398 0.192 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.862 -0.818 -3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.946 -0.666 -5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.425 2.365 -4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.968 1.600 -6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.908 2.934 -5.729 1.00 0.00 H new ATOM 154 N GLU A 11 -16.017 0.670 -7.903 1.00 0.00 N ATOM 155 CA GLU A 11 -15.622 0.145 -9.205 1.00 0.00 C ATOM 156 C GLU A 11 -14.102 0.064 -9.321 1.00 0.00 C ATOM 157 O GLU A 11 -13.411 1.082 -9.276 1.00 0.00 O ATOM 158 CB GLU A 11 -16.184 1.024 -10.324 1.00 0.00 C ATOM 159 CG GLU A 11 -15.783 2.485 -10.210 1.00 0.00 C ATOM 160 CD GLU A 11 -16.972 3.403 -10.000 1.00 0.00 C ATOM 161 OE1 GLU A 11 -17.611 3.786 -11.002 1.00 0.00 O ATOM 162 OE2 GLU A 11 -17.265 3.738 -8.832 1.00 0.00 O ATOM 0 H GLU A 11 -16.376 1.625 -7.923 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.030 -0.861 -9.302 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.844 0.637 -11.284 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.272 0.953 -10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.087 2.603 -9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.253 2.784 -11.115 1.00 0.00 H new ATOM 169 N ILE A 12 -13.590 -1.154 -9.470 1.00 0.00 N ATOM 170 CA ILE A 12 -12.154 -1.368 -9.592 1.00 0.00 C ATOM 171 C ILE A 12 -11.674 -1.084 -11.013 1.00 0.00 C ATOM 172 O ILE A 12 -11.715 -1.958 -11.878 1.00 0.00 O ATOM 173 CB ILE A 12 -11.765 -2.810 -9.210 1.00 0.00 C ATOM 174 CG1 ILE A 12 -12.331 -3.167 -7.832 1.00 0.00 C ATOM 175 CG2 ILE A 12 -10.251 -2.978 -9.227 1.00 0.00 C ATOM 176 CD1 ILE A 12 -11.703 -2.385 -6.698 1.00 0.00 C ATOM 0 H ILE A 12 -14.149 -2.007 -9.509 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.672 -0.675 -8.902 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.193 -3.491 -9.946 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.406 -2.989 -7.833 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.184 -4.232 -7.653 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.995 -4.002 -8.955 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.872 -2.763 -10.226 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.800 -2.289 -8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.152 -2.690 -5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.631 -2.582 -6.670 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.873 -1.320 -6.853 1.00 0.00 H new ATOM 188 N THR A 13 -11.217 0.141 -11.244 1.00 0.00 N ATOM 189 CA THR A 13 -10.727 0.538 -12.559 1.00 0.00 C ATOM 190 C THR A 13 -9.211 0.373 -12.643 1.00 0.00 C ATOM 191 O THR A 13 -8.499 0.629 -11.673 1.00 0.00 O ATOM 192 CB THR A 13 -11.110 1.989 -12.854 1.00 0.00 C ATOM 193 OG1 THR A 13 -11.219 2.733 -11.654 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.422 2.120 -13.598 1.00 0.00 C ATOM 0 H THR A 13 -11.175 0.876 -10.538 1.00 0.00 H new ATOM 0 HA THR A 13 -11.190 -0.110 -13.304 1.00 0.00 H new ATOM 0 HB THR A 13 -10.311 2.377 -13.486 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.463 3.659 -11.864 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.636 3.174 -13.776 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.353 1.598 -14.552 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.223 1.683 -13.002 1.00 0.00 H new ATOM 202 N GLU A 14 -8.732 -0.070 -13.805 1.00 0.00 N ATOM 203 CA GLU A 14 -7.300 -0.287 -14.028 1.00 0.00 C ATOM 204 C GLU A 14 -6.445 0.784 -13.354 1.00 0.00 C ATOM 205 O GLU A 14 -5.377 0.488 -12.819 1.00 0.00 O ATOM 206 CB GLU A 14 -7.003 -0.318 -15.528 1.00 0.00 C ATOM 207 CG GLU A 14 -7.594 0.857 -16.289 1.00 0.00 C ATOM 208 CD GLU A 14 -8.315 0.432 -17.553 1.00 0.00 C ATOM 209 OE1 GLU A 14 -7.631 0.091 -18.541 1.00 0.00 O ATOM 210 OE2 GLU A 14 -9.563 0.440 -17.556 1.00 0.00 O ATOM 0 H GLU A 14 -9.317 -0.287 -14.612 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.042 -1.246 -13.580 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.923 -0.330 -15.676 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.393 -1.245 -15.948 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.289 1.391 -15.641 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.798 1.555 -16.547 1.00 0.00 H new ATOM 217 N ALA A 15 -6.915 2.026 -13.381 1.00 0.00 N ATOM 218 CA ALA A 15 -6.185 3.129 -12.768 1.00 0.00 C ATOM 219 C ALA A 15 -6.077 2.939 -11.259 1.00 0.00 C ATOM 220 O ALA A 15 -5.005 3.102 -10.678 1.00 0.00 O ATOM 221 CB ALA A 15 -6.860 4.453 -13.090 1.00 0.00 C ATOM 0 H ALA A 15 -7.796 2.294 -13.820 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.176 3.141 -13.181 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.304 5.267 -12.626 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.881 4.598 -14.170 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.880 4.445 -12.705 1.00 0.00 H new ATOM 227 N LEU A 16 -7.197 2.596 -10.631 1.00 0.00 N ATOM 228 CA LEU A 16 -7.233 2.385 -9.187 1.00 0.00 C ATOM 229 C LEU A 16 -6.224 1.320 -8.763 1.00 0.00 C ATOM 230 O LEU A 16 -5.238 1.619 -8.090 1.00 0.00 O ATOM 231 CB LEU A 16 -8.640 1.970 -8.749 1.00 0.00 C ATOM 232 CG LEU A 16 -8.788 1.650 -7.261 1.00 0.00 C ATOM 233 CD1 LEU A 16 -9.274 2.872 -6.499 1.00 0.00 C ATOM 234 CD2 LEU A 16 -9.740 0.480 -7.059 1.00 0.00 C ATOM 0 H LEU A 16 -8.093 2.458 -11.099 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.967 3.324 -8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.334 2.771 -9.003 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.939 1.094 -9.325 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.810 1.368 -6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.374 2.626 -5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.556 3.683 -6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.242 3.184 -6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.833 0.266 -5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.719 0.733 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.350 -0.399 -7.573 1.00 0.00 H new ATOM 246 N ARG A 17 -6.483 0.075 -9.158 1.00 0.00 N ATOM 247 CA ARG A 17 -5.598 -1.035 -8.812 1.00 0.00 C ATOM 248 C ARG A 17 -4.139 -0.678 -9.087 1.00 0.00 C ATOM 249 O ARG A 17 -3.245 -1.047 -8.325 1.00 0.00 O ATOM 250 CB ARG A 17 -5.993 -2.304 -9.579 1.00 0.00 C ATOM 251 CG ARG A 17 -5.924 -2.168 -11.092 1.00 0.00 C ATOM 252 CD ARG A 17 -5.548 -3.487 -11.749 1.00 0.00 C ATOM 253 NE ARG A 17 -5.776 -3.469 -13.191 1.00 0.00 N ATOM 254 CZ ARG A 17 -6.953 -3.715 -13.761 1.00 0.00 C ATOM 255 NH1 ARG A 17 -8.018 -3.983 -13.016 1.00 0.00 N ATOM 256 NH2 ARG A 17 -7.068 -3.684 -15.082 1.00 0.00 N ATOM 0 H ARG A 17 -7.295 -0.190 -9.716 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.706 -1.229 -7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.340 -3.120 -9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.008 -2.584 -9.297 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.888 -1.831 -11.473 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.192 -1.405 -11.358 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.498 -3.703 -11.551 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.129 -4.293 -11.301 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.985 -3.255 -13.798 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.938 -4.001 -11.999 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.917 -4.171 -13.460 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.255 -3.472 -15.660 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.970 -3.872 -15.520 1.00 0.00 H new ATOM 270 N GLU A 18 -3.905 0.044 -10.179 1.00 0.00 N ATOM 271 CA GLU A 18 -2.556 0.453 -10.550 1.00 0.00 C ATOM 272 C GLU A 18 -1.938 1.335 -9.469 1.00 0.00 C ATOM 273 O GLU A 18 -0.796 1.122 -9.060 1.00 0.00 O ATOM 274 CB GLU A 18 -2.577 1.201 -11.885 1.00 0.00 C ATOM 275 CG GLU A 18 -2.283 0.316 -13.084 1.00 0.00 C ATOM 276 CD GLU A 18 -3.086 0.707 -14.309 1.00 0.00 C ATOM 277 OE1 GLU A 18 -2.942 1.858 -14.771 1.00 0.00 O ATOM 278 OE2 GLU A 18 -3.859 -0.139 -14.808 1.00 0.00 O ATOM 0 H GLU A 18 -4.632 0.357 -10.822 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.946 -0.445 -10.653 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.555 1.664 -12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.845 2.008 -11.851 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.220 0.370 -13.319 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.500 -0.721 -12.827 1.00 0.00 H new ATOM 285 N PHE A 19 -2.699 2.325 -9.011 1.00 0.00 N ATOM 286 CA PHE A 19 -2.226 3.242 -7.978 1.00 0.00 C ATOM 287 C PHE A 19 -1.750 2.483 -6.743 1.00 0.00 C ATOM 288 O PHE A 19 -0.678 2.763 -6.207 1.00 0.00 O ATOM 289 CB PHE A 19 -3.336 4.220 -7.591 1.00 0.00 C ATOM 290 CG PHE A 19 -2.872 5.325 -6.685 1.00 0.00 C ATOM 291 CD1 PHE A 19 -1.936 6.248 -7.119 1.00 0.00 C ATOM 292 CD2 PHE A 19 -3.373 5.439 -5.398 1.00 0.00 C ATOM 293 CE1 PHE A 19 -1.506 7.265 -6.287 1.00 0.00 C ATOM 294 CE2 PHE A 19 -2.948 6.454 -4.561 1.00 0.00 C ATOM 295 CZ PHE A 19 -2.013 7.369 -5.007 1.00 0.00 C ATOM 0 H PHE A 19 -3.646 2.513 -9.339 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.381 3.798 -8.384 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.757 4.656 -8.497 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.138 3.670 -7.099 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.537 6.173 -8.120 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.104 4.727 -5.045 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.774 7.977 -6.638 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.346 6.532 -3.560 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.680 8.163 -4.356 1.00 0.00 H new ATOM 305 N VAL A 20 -2.552 1.521 -6.296 1.00 0.00 N ATOM 306 CA VAL A 20 -2.204 0.724 -5.125 1.00 0.00 C ATOM 307 C VAL A 20 -0.922 -0.063 -5.365 1.00 0.00 C ATOM 308 O VAL A 20 0.020 0.008 -4.574 1.00 0.00 O ATOM 309 CB VAL A 20 -3.333 -0.254 -4.748 1.00 0.00 C ATOM 310 CG1 VAL A 20 -3.083 -0.852 -3.371 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.686 0.440 -4.796 1.00 0.00 C ATOM 0 H VAL A 20 -3.444 1.275 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.054 1.421 -4.301 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.342 -1.064 -5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.890 -1.540 -3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.135 -1.390 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.044 -0.054 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.468 -0.269 -4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.693 1.273 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.867 0.814 -5.803 1.00 0.00 H new ATOM 321 N THR A 21 -0.891 -0.812 -6.463 1.00 0.00 N ATOM 322 CA THR A 21 0.278 -1.611 -6.808 1.00 0.00 C ATOM 323 C THR A 21 1.487 -0.715 -7.063 1.00 0.00 C ATOM 324 O THR A 21 2.625 -1.104 -6.804 1.00 0.00 O ATOM 325 CB THR A 21 -0.009 -2.465 -8.045 1.00 0.00 C ATOM 326 OG1 THR A 21 -1.358 -2.896 -8.053 1.00 0.00 O ATOM 327 CG2 THR A 21 0.867 -3.696 -8.137 1.00 0.00 C ATOM 0 H THR A 21 -1.661 -0.882 -7.128 1.00 0.00 H new ATOM 0 HA THR A 21 0.503 -2.268 -5.968 1.00 0.00 H new ATOM 0 HB THR A 21 0.205 -1.821 -8.898 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.912 -2.228 -8.508 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.613 -4.257 -9.036 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.914 -3.395 -8.181 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.706 -4.323 -7.260 1.00 0.00 H new ATOM 335 N ALA A 22 1.229 0.488 -7.567 1.00 0.00 N ATOM 336 CA ALA A 22 2.294 1.441 -7.852 1.00 0.00 C ATOM 337 C ALA A 22 3.077 1.775 -6.588 1.00 0.00 C ATOM 338 O ALA A 22 4.308 1.795 -6.594 1.00 0.00 O ATOM 339 CB ALA A 22 1.720 2.706 -8.470 1.00 0.00 C ATOM 0 H ALA A 22 0.292 0.825 -7.786 1.00 0.00 H new ATOM 0 HA ALA A 22 2.979 0.983 -8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.527 3.408 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.208 2.457 -9.400 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.012 3.161 -7.777 1.00 0.00 H new ATOM 345 N LYS A 23 2.354 2.034 -5.503 1.00 0.00 N ATOM 346 CA LYS A 23 2.982 2.362 -4.228 1.00 0.00 C ATOM 347 C LYS A 23 3.765 1.168 -3.693 1.00 0.00 C ATOM 348 O LYS A 23 4.955 1.276 -3.394 1.00 0.00 O ATOM 349 CB LYS A 23 1.923 2.792 -3.210 1.00 0.00 C ATOM 350 CG LYS A 23 1.025 3.915 -3.703 1.00 0.00 C ATOM 351 CD LYS A 23 1.474 5.265 -3.168 1.00 0.00 C ATOM 352 CE LYS A 23 0.533 6.377 -3.600 1.00 0.00 C ATOM 353 NZ LYS A 23 1.142 7.723 -3.419 1.00 0.00 N ATOM 0 H LYS A 23 1.334 2.023 -5.481 1.00 0.00 H new ATOM 0 HA LYS A 23 3.674 3.188 -4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.306 1.931 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.420 3.111 -2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.031 3.935 -4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.002 3.723 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.521 5.229 -2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.482 5.481 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.264 6.238 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.390 6.316 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.486 8.333 -2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.033 7.633 -2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.333 8.146 -4.350 1.00 0.00 H new ATOM 367 N PHE A 24 3.089 0.027 -3.583 1.00 0.00 N ATOM 368 CA PHE A 24 3.722 -1.191 -3.092 1.00 0.00 C ATOM 369 C PHE A 24 5.007 -1.479 -3.862 1.00 0.00 C ATOM 370 O PHE A 24 6.033 -1.814 -3.270 1.00 0.00 O ATOM 371 CB PHE A 24 2.761 -2.376 -3.211 1.00 0.00 C ATOM 372 CG PHE A 24 2.009 -2.666 -1.943 1.00 0.00 C ATOM 373 CD1 PHE A 24 2.537 -3.518 -0.987 1.00 0.00 C ATOM 374 CD2 PHE A 24 0.772 -2.086 -1.706 1.00 0.00 C ATOM 375 CE1 PHE A 24 1.848 -3.787 0.180 1.00 0.00 C ATOM 376 CE2 PHE A 24 0.079 -2.351 -0.541 1.00 0.00 C ATOM 377 CZ PHE A 24 0.617 -3.202 0.404 1.00 0.00 C ATOM 0 H PHE A 24 2.104 -0.078 -3.827 1.00 0.00 H new ATOM 0 HA PHE A 24 3.973 -1.045 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.047 -2.176 -4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.324 -3.263 -3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.499 -3.978 -1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.345 -1.419 -2.441 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.272 -4.454 0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.884 -1.893 -0.369 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.077 -3.410 1.316 1.00 0.00 H new ATOM 387 N ALA A 25 4.943 -1.337 -5.183 1.00 0.00 N ATOM 388 CA ALA A 25 6.103 -1.575 -6.034 1.00 0.00 C ATOM 389 C ALA A 25 7.301 -0.759 -5.562 1.00 0.00 C ATOM 390 O ALA A 25 8.375 -1.304 -5.305 1.00 0.00 O ATOM 391 CB ALA A 25 5.773 -1.245 -7.480 1.00 0.00 C ATOM 0 H ALA A 25 4.101 -1.059 -5.686 1.00 0.00 H new ATOM 0 HA ALA A 25 6.365 -2.631 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.648 -1.427 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.949 -1.874 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.485 -0.197 -7.557 1.00 0.00 H new ATOM 397 N LYS A 26 7.110 0.553 -5.444 1.00 0.00 N ATOM 398 CA LYS A 26 8.174 1.444 -4.995 1.00 0.00 C ATOM 399 C LYS A 26 8.750 0.974 -3.663 1.00 0.00 C ATOM 400 O LYS A 26 9.919 1.213 -3.360 1.00 0.00 O ATOM 401 CB LYS A 26 7.649 2.875 -4.861 1.00 0.00 C ATOM 402 CG LYS A 26 8.745 3.907 -4.644 1.00 0.00 C ATOM 403 CD LYS A 26 8.385 4.878 -3.531 1.00 0.00 C ATOM 404 CE LYS A 26 9.604 5.644 -3.044 1.00 0.00 C ATOM 405 NZ LYS A 26 9.228 6.810 -2.199 1.00 0.00 N ATOM 0 H LYS A 26 6.228 1.021 -5.653 1.00 0.00 H new ATOM 0 HA LYS A 26 8.968 1.425 -5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.090 3.134 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.949 2.920 -4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.679 3.401 -4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.915 4.459 -5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.632 5.580 -3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.941 4.331 -2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.248 4.975 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.182 5.989 -3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.088 7.305 -1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.634 7.462 -2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.699 6.479 -1.367 1.00 0.00 H new ATOM 419 N LEU A 27 7.921 0.296 -2.873 1.00 0.00 N ATOM 420 CA LEU A 27 8.350 -0.217 -1.577 1.00 0.00 C ATOM 421 C LEU A 27 9.082 -1.546 -1.740 1.00 0.00 C ATOM 422 O LEU A 27 9.940 -1.901 -0.930 1.00 0.00 O ATOM 423 CB LEU A 27 7.146 -0.395 -0.650 1.00 0.00 C ATOM 424 CG LEU A 27 6.682 0.877 0.061 1.00 0.00 C ATOM 425 CD1 LEU A 27 5.984 1.812 -0.914 1.00 0.00 C ATOM 426 CD2 LEU A 27 5.761 0.530 1.221 1.00 0.00 C ATOM 0 H LEU A 27 6.950 0.090 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 27 9.034 0.506 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.314 -0.791 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.394 -1.144 0.102 1.00 0.00 H new ATOM 0 HG LEU A 27 7.559 1.390 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.662 2.711 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.674 2.086 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.116 1.310 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.439 1.446 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.889 -0.005 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.294 -0.100 1.933 1.00 0.00 H new ATOM 438 N GLU A 28 8.734 -2.276 -2.796 1.00 0.00 N ATOM 439 CA GLU A 28 9.350 -3.568 -3.083 1.00 0.00 C ATOM 440 C GLU A 28 10.843 -3.427 -3.378 1.00 0.00 C ATOM 441 O GLU A 28 11.573 -4.419 -3.389 1.00 0.00 O ATOM 442 CB GLU A 28 8.646 -4.235 -4.268 1.00 0.00 C ATOM 443 CG GLU A 28 7.627 -5.287 -3.857 1.00 0.00 C ATOM 444 CD GLU A 28 6.421 -5.318 -4.774 1.00 0.00 C ATOM 445 OE1 GLU A 28 5.626 -4.355 -4.743 1.00 0.00 O ATOM 446 OE2 GLU A 28 6.271 -6.305 -5.524 1.00 0.00 O ATOM 0 H GLU A 28 8.024 -1.992 -3.471 1.00 0.00 H new ATOM 0 HA GLU A 28 9.240 -4.192 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.146 -3.469 -4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.395 -4.698 -4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.103 -6.268 -3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.298 -5.090 -2.837 1.00 0.00 H new ATOM 453 N GLN A 29 11.295 -2.198 -3.613 1.00 0.00 N ATOM 454 CA GLN A 29 12.704 -1.950 -3.901 1.00 0.00 C ATOM 455 C GLN A 29 13.566 -2.208 -2.670 1.00 0.00 C ATOM 456 O GLN A 29 14.477 -3.036 -2.699 1.00 0.00 O ATOM 457 CB GLN A 29 12.900 -0.510 -4.382 1.00 0.00 C ATOM 458 CG GLN A 29 14.329 -0.194 -4.791 1.00 0.00 C ATOM 459 CD GLN A 29 14.678 -0.742 -6.162 1.00 0.00 C ATOM 460 OE1 GLN A 29 13.924 -0.574 -7.120 1.00 0.00 O ATOM 461 NE2 GLN A 29 15.826 -1.403 -6.262 1.00 0.00 N ATOM 0 H GLN A 29 10.710 -1.363 -3.610 1.00 0.00 H new ATOM 0 HA GLN A 29 13.014 -2.636 -4.689 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.239 -0.326 -5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.599 0.173 -3.588 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.473 0.886 -4.788 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.015 -0.609 -4.052 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.421 -1.519 -5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.112 -1.795 -7.159 1.00 0.00 H new ATOM 470 N TYR A 30 13.273 -1.494 -1.587 1.00 0.00 N ATOM 471 CA TYR A 30 14.025 -1.649 -0.345 1.00 0.00 C ATOM 472 C TYR A 30 13.458 -2.778 0.516 1.00 0.00 C ATOM 473 O TYR A 30 14.094 -3.212 1.475 1.00 0.00 O ATOM 474 CB TYR A 30 14.051 -0.339 0.454 1.00 0.00 C ATOM 475 CG TYR A 30 12.781 0.477 0.362 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.602 0.035 0.947 1.00 0.00 C ATOM 477 CD2 TYR A 30 12.764 1.695 -0.308 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.443 0.783 0.869 1.00 0.00 C ATOM 479 CE2 TYR A 30 11.608 2.447 -0.392 1.00 0.00 C ATOM 480 CZ TYR A 30 10.450 1.987 0.199 1.00 0.00 C ATOM 481 OH TYR A 30 9.298 2.735 0.119 1.00 0.00 O ATOM 0 H TYR A 30 12.523 -0.804 -1.544 1.00 0.00 H new ATOM 0 HA TYR A 30 15.047 -1.909 -0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.244 -0.571 1.501 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.885 0.269 0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.591 -0.909 1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.669 2.059 -0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.535 0.425 1.331 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.611 3.390 -0.918 1.00 0.00 H new ATOM 0 HH TYR A 30 9.475 3.556 -0.386 1.00 0.00 H new ATOM 491 N PHE A 31 12.267 -3.260 0.165 1.00 0.00 N ATOM 492 CA PHE A 31 11.637 -4.344 0.912 1.00 0.00 C ATOM 493 C PHE A 31 11.757 -5.662 0.154 1.00 0.00 C ATOM 494 O PHE A 31 11.273 -5.790 -0.970 1.00 0.00 O ATOM 495 CB PHE A 31 10.160 -4.035 1.180 1.00 0.00 C ATOM 496 CG PHE A 31 9.930 -2.914 2.159 1.00 0.00 C ATOM 497 CD1 PHE A 31 10.880 -2.592 3.118 1.00 0.00 C ATOM 498 CD2 PHE A 31 8.754 -2.182 2.118 1.00 0.00 C ATOM 499 CE1 PHE A 31 10.661 -1.564 4.014 1.00 0.00 C ATOM 500 CE2 PHE A 31 8.531 -1.152 3.013 1.00 0.00 C ATOM 501 CZ PHE A 31 9.484 -0.842 3.962 1.00 0.00 C ATOM 0 H PHE A 31 11.723 -2.919 -0.627 1.00 0.00 H new ATOM 0 HA PHE A 31 12.156 -4.436 1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.676 -3.783 0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.675 -4.936 1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.802 -3.152 3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.003 -2.419 1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.409 -1.325 4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.610 -0.589 2.969 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.310 -0.038 4.662 1.00 0.00 H new ATOM 511 N ASP A 32 12.407 -6.640 0.776 1.00 0.00 N ATOM 512 CA ASP A 32 12.590 -7.949 0.159 1.00 0.00 C ATOM 513 C ASP A 32 11.708 -8.999 0.830 1.00 0.00 C ATOM 514 O ASP A 32 11.323 -9.987 0.208 1.00 0.00 O ATOM 515 CB ASP A 32 14.057 -8.374 0.244 1.00 0.00 C ATOM 516 CG ASP A 32 14.591 -8.335 1.663 1.00 0.00 C ATOM 517 OD1 ASP A 32 14.466 -9.355 2.372 1.00 0.00 O ATOM 518 OD2 ASP A 32 15.134 -7.285 2.064 1.00 0.00 O ATOM 0 H ASP A 32 12.816 -6.551 1.706 1.00 0.00 H new ATOM 0 HA ASP A 32 12.298 -7.871 -0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.163 -9.383 -0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.659 -7.719 -0.386 1.00 0.00 H new ATOM 523 N ARG A 33 11.392 -8.776 2.102 1.00 0.00 N ATOM 524 CA ARG A 33 10.558 -9.704 2.855 1.00 0.00 C ATOM 525 C ARG A 33 9.084 -9.523 2.501 1.00 0.00 C ATOM 526 O ARG A 33 8.279 -9.111 3.336 1.00 0.00 O ATOM 527 CB ARG A 33 10.761 -9.503 4.359 1.00 0.00 C ATOM 528 CG ARG A 33 12.221 -9.368 4.766 1.00 0.00 C ATOM 529 CD ARG A 33 12.739 -10.634 5.431 1.00 0.00 C ATOM 530 NE ARG A 33 13.533 -11.448 4.513 1.00 0.00 N ATOM 531 CZ ARG A 33 13.019 -12.366 3.695 1.00 0.00 C ATOM 532 NH1 ARG A 33 11.712 -12.591 3.672 1.00 0.00 N ATOM 533 NH2 ARG A 33 13.818 -13.060 2.896 1.00 0.00 N ATOM 0 H ARG A 33 11.701 -7.961 2.632 1.00 0.00 H new ATOM 0 HA ARG A 33 10.856 -10.718 2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.221 -8.610 4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.321 -10.346 4.892 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.825 -9.146 3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.332 -8.526 5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.346 -10.367 6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.897 -11.220 5.800 1.00 0.00 H new ATOM 0 HE ARG A 33 14.543 -11.305 4.497 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.092 -12.060 4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.327 -13.295 3.043 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.824 -12.891 2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.427 -13.763 2.269 1.00 0.00 H new ATOM 547 N ILE A 34 8.739 -9.836 1.256 1.00 0.00 N ATOM 548 CA ILE A 34 7.364 -9.708 0.791 1.00 0.00 C ATOM 549 C ILE A 34 6.972 -10.895 -0.083 1.00 0.00 C ATOM 550 O ILE A 34 7.625 -11.180 -1.088 1.00 0.00 O ATOM 551 CB ILE A 34 7.156 -8.406 -0.006 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.733 -7.214 0.761 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.678 -8.193 -0.295 1.00 0.00 C ATOM 554 CD1 ILE A 34 7.853 -5.959 -0.077 1.00 0.00 C ATOM 0 H ILE A 34 9.393 -10.180 0.552 1.00 0.00 H new ATOM 0 HA ILE A 34 6.730 -9.684 1.677 1.00 0.00 H new ATOM 0 HB ILE A 34 7.683 -8.491 -0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.100 -7.006 1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.718 -7.481 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.547 -7.269 -0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.297 -9.031 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.130 -8.126 0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.269 -5.155 0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.510 -6.150 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.867 -5.668 -0.439 1.00 0.00 H new ATOM 566 N ASN A 35 5.907 -11.588 0.306 1.00 0.00 N ATOM 567 CA ASN A 35 5.434 -12.747 -0.445 1.00 0.00 C ATOM 568 C ASN A 35 3.967 -12.589 -0.836 1.00 0.00 C ATOM 569 O ASN A 35 3.624 -12.639 -2.018 1.00 0.00 O ATOM 570 CB ASN A 35 5.624 -14.026 0.373 1.00 0.00 C ATOM 571 CG ASN A 35 5.268 -13.844 1.836 1.00 0.00 C ATOM 572 OD1 ASN A 35 4.255 -14.359 2.310 1.00 0.00 O ATOM 573 ND2 ASN A 35 6.104 -13.107 2.560 1.00 0.00 N ATOM 0 H ASN A 35 5.355 -11.368 1.135 1.00 0.00 H new ATOM 0 HA ASN A 35 6.025 -12.818 -1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.007 -14.818 -0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.661 -14.352 0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.918 -12.949 3.550 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.932 -12.699 2.125 1.00 0.00 H new ATOM 580 N GLN A 36 3.107 -12.402 0.159 1.00 0.00 N ATOM 581 CA GLN A 36 1.677 -12.242 -0.088 1.00 0.00 C ATOM 582 C GLN A 36 1.137 -11.001 0.613 1.00 0.00 C ATOM 583 O GLN A 36 1.159 -10.908 1.840 1.00 0.00 O ATOM 584 CB GLN A 36 0.914 -13.480 0.389 1.00 0.00 C ATOM 585 CG GLN A 36 -0.574 -13.433 0.083 1.00 0.00 C ATOM 586 CD GLN A 36 -1.190 -14.813 -0.029 1.00 0.00 C ATOM 587 OE1 GLN A 36 -0.554 -15.818 0.293 1.00 0.00 O ATOM 588 NE2 GLN A 36 -2.434 -14.871 -0.491 1.00 0.00 N ATOM 0 H GLN A 36 3.373 -12.357 1.143 1.00 0.00 H new ATOM 0 HA GLN A 36 1.532 -12.123 -1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.345 -14.365 -0.079 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.052 -13.589 1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.085 -12.874 0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.732 -12.892 -0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.924 -14.013 -0.746 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.899 -15.773 -0.591 1.00 0.00 H new ATOM 597 N VAL A 37 0.647 -10.049 -0.176 1.00 0.00 N ATOM 598 CA VAL A 37 0.096 -8.814 0.366 1.00 0.00 C ATOM 599 C VAL A 37 -1.339 -8.603 -0.104 1.00 0.00 C ATOM 600 O VAL A 37 -1.652 -8.798 -1.278 1.00 0.00 O ATOM 601 CB VAL A 37 0.941 -7.585 -0.037 1.00 0.00 C ATOM 602 CG1 VAL A 37 2.029 -7.322 0.994 1.00 0.00 C ATOM 603 CG2 VAL A 37 1.542 -7.768 -1.425 1.00 0.00 C ATOM 0 H VAL A 37 0.621 -10.111 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 37 0.114 -8.913 1.451 1.00 0.00 H new ATOM 0 HB VAL A 37 0.283 -6.716 -0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.613 -6.453 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.572 -7.133 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.682 -8.192 1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.132 -6.889 -1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.183 -8.650 -1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.742 -7.896 -2.154 1.00 0.00 H new ATOM 613 N TYR A 38 -2.208 -8.201 0.818 1.00 0.00 N ATOM 614 CA TYR A 38 -3.610 -7.963 0.493 1.00 0.00 C ATOM 615 C TYR A 38 -4.078 -6.620 1.044 1.00 0.00 C ATOM 616 O TYR A 38 -3.753 -6.250 2.172 1.00 0.00 O ATOM 617 CB TYR A 38 -4.492 -9.095 1.031 1.00 0.00 C ATOM 618 CG TYR A 38 -4.014 -9.685 2.340 1.00 0.00 C ATOM 619 CD1 TYR A 38 -2.861 -10.457 2.394 1.00 0.00 C ATOM 620 CD2 TYR A 38 -4.718 -9.472 3.520 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.423 -11.002 3.586 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.284 -10.012 4.715 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.137 -10.776 4.742 1.00 0.00 C ATOM 624 OH TYR A 38 -2.703 -11.316 5.931 1.00 0.00 O ATOM 0 H TYR A 38 -1.967 -8.033 1.795 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.701 -7.938 -0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.506 -8.718 1.164 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.542 -9.888 0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.298 -10.634 1.490 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.618 -8.875 3.502 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.525 -11.602 3.611 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.841 -9.836 5.624 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.868 -11.806 5.782 1.00 0.00 H new ATOM 634 N VAL A 39 -4.842 -5.895 0.234 1.00 0.00 N ATOM 635 CA VAL A 39 -5.355 -4.587 0.629 1.00 0.00 C ATOM 636 C VAL A 39 -6.826 -4.436 0.249 1.00 0.00 C ATOM 637 O VAL A 39 -7.270 -4.961 -0.772 1.00 0.00 O ATOM 638 CB VAL A 39 -4.548 -3.448 -0.024 1.00 0.00 C ATOM 639 CG1 VAL A 39 -4.888 -2.111 0.615 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.055 -3.724 0.072 1.00 0.00 C ATOM 0 H VAL A 39 -5.120 -6.191 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.254 -4.520 1.712 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.820 -3.400 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.307 -1.322 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.951 -1.906 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.650 -2.145 1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.503 -2.908 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.766 -3.804 1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.824 -4.658 -0.440 1.00 0.00 H new ATOM 650 N VAL A 40 -7.576 -3.713 1.073 1.00 0.00 N ATOM 651 CA VAL A 40 -8.995 -3.492 0.817 1.00 0.00 C ATOM 652 C VAL A 40 -9.416 -2.097 1.241 1.00 0.00 C ATOM 653 O VAL A 40 -9.013 -1.602 2.295 1.00 0.00 O ATOM 654 CB VAL A 40 -9.872 -4.528 1.544 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.326 -4.404 1.107 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.352 -5.936 1.299 1.00 0.00 C ATOM 0 H VAL A 40 -7.226 -3.270 1.923 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.141 -3.602 -0.258 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.822 -4.328 2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.928 -5.145 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.693 -3.405 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.399 -4.573 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.985 -6.654 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.367 -6.149 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.330 -6.016 1.670 1.00 0.00 H new ATOM 666 N LEU A 41 -10.216 -1.460 0.400 1.00 0.00 N ATOM 667 CA LEU A 41 -10.686 -0.111 0.661 1.00 0.00 C ATOM 668 C LEU A 41 -12.195 0.014 0.466 1.00 0.00 C ATOM 669 O LEU A 41 -12.740 -0.408 -0.554 1.00 0.00 O ATOM 670 CB LEU A 41 -9.945 0.884 -0.239 1.00 0.00 C ATOM 671 CG LEU A 41 -9.550 0.358 -1.626 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.479 -0.716 -1.510 1.00 0.00 C ATOM 673 CD2 LEU A 41 -10.765 -0.168 -2.377 1.00 0.00 C ATOM 0 H LEU A 41 -10.555 -1.860 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.474 0.120 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.573 1.765 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.042 1.210 0.277 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.138 1.190 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.214 -1.075 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.595 -0.298 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.859 -1.546 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.457 -0.534 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.218 -0.982 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.491 0.635 -2.502 1.00 0.00 H new ATOM 685 N LYS A 42 -12.861 0.607 1.450 1.00 0.00 N ATOM 686 CA LYS A 42 -14.303 0.803 1.389 1.00 0.00 C ATOM 687 C LYS A 42 -14.621 2.254 1.036 1.00 0.00 C ATOM 688 O LYS A 42 -14.023 3.182 1.582 1.00 0.00 O ATOM 689 CB LYS A 42 -14.953 0.410 2.723 1.00 0.00 C ATOM 690 CG LYS A 42 -16.329 1.019 2.948 1.00 0.00 C ATOM 691 CD LYS A 42 -16.965 0.504 4.230 1.00 0.00 C ATOM 692 CE LYS A 42 -16.238 1.024 5.461 1.00 0.00 C ATOM 693 NZ LYS A 42 -16.133 -0.015 6.522 1.00 0.00 N ATOM 0 H LYS A 42 -12.424 0.961 2.301 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.714 0.161 0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -15.037 -0.676 2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.296 0.713 3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.244 2.105 2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.974 0.785 2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.010 0.810 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.952 -0.586 4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.239 1.358 5.179 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.765 1.893 5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.632 0.378 7.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.086 -0.316 6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.608 -0.834 6.155 1.00 0.00 H new ATOM 707 N VAL A 43 -15.558 2.438 0.111 1.00 0.00 N ATOM 708 CA VAL A 43 -15.947 3.773 -0.325 1.00 0.00 C ATOM 709 C VAL A 43 -17.395 4.082 0.037 1.00 0.00 C ATOM 710 O VAL A 43 -18.322 3.440 -0.454 1.00 0.00 O ATOM 711 CB VAL A 43 -15.768 3.935 -1.846 1.00 0.00 C ATOM 712 CG1 VAL A 43 -15.999 5.380 -2.262 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.387 3.462 -2.274 1.00 0.00 C ATOM 0 H VAL A 43 -16.061 1.680 -0.350 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.294 4.474 0.195 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.511 3.315 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.868 5.474 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.012 5.679 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.283 6.024 -1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.278 3.584 -3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.626 4.052 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.266 2.410 -2.014 1.00 0.00 H new ATOM 723 N GLU A 44 -17.580 5.081 0.894 1.00 0.00 N ATOM 724 CA GLU A 44 -18.911 5.492 1.317 1.00 0.00 C ATOM 725 C GLU A 44 -19.022 7.013 1.329 1.00 0.00 C ATOM 726 O GLU A 44 -18.028 7.716 1.505 1.00 0.00 O ATOM 727 CB GLU A 44 -19.239 4.927 2.701 1.00 0.00 C ATOM 728 CG GLU A 44 -18.090 5.022 3.689 1.00 0.00 C ATOM 729 CD GLU A 44 -18.404 4.360 5.016 1.00 0.00 C ATOM 730 OE1 GLU A 44 -19.326 3.517 5.054 1.00 0.00 O ATOM 731 OE2 GLU A 44 -17.730 4.684 6.015 1.00 0.00 O ATOM 0 H GLU A 44 -16.821 5.621 1.309 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.632 5.095 0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.099 5.460 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.531 3.882 2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.204 4.557 3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.848 6.071 3.859 1.00 0.00 H new ATOM 738 N LYS A 45 -20.236 7.513 1.130 1.00 0.00 N ATOM 739 CA LYS A 45 -20.481 8.953 1.106 1.00 0.00 C ATOM 740 C LYS A 45 -19.936 9.643 2.357 1.00 0.00 C ATOM 741 O LYS A 45 -19.705 10.853 2.352 1.00 0.00 O ATOM 742 CB LYS A 45 -21.980 9.230 0.975 1.00 0.00 C ATOM 743 CG LYS A 45 -22.296 10.583 0.360 1.00 0.00 C ATOM 744 CD LYS A 45 -22.953 11.517 1.364 1.00 0.00 C ATOM 745 CE LYS A 45 -24.458 11.586 1.161 1.00 0.00 C ATOM 746 NZ LYS A 45 -25.135 12.330 2.259 1.00 0.00 N ATOM 0 H LYS A 45 -21.069 6.942 0.983 1.00 0.00 H new ATOM 0 HA LYS A 45 -19.956 9.361 0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.434 8.448 0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.439 9.172 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.378 11.037 -0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.955 10.448 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -22.737 11.175 2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.526 12.515 1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.674 12.070 0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.863 10.576 1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.160 12.354 2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -24.951 11.854 3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.768 13.302 2.297 1.00 0.00 H new ATOM 760 N VAL A 46 -19.738 8.880 3.428 1.00 0.00 N ATOM 761 CA VAL A 46 -19.230 9.439 4.676 1.00 0.00 C ATOM 762 C VAL A 46 -17.701 9.523 4.679 1.00 0.00 C ATOM 763 O VAL A 46 -17.132 10.572 4.372 1.00 0.00 O ATOM 764 CB VAL A 46 -19.708 8.622 5.893 1.00 0.00 C ATOM 765 CG1 VAL A 46 -19.202 9.236 7.189 1.00 0.00 C ATOM 766 CG2 VAL A 46 -21.226 8.523 5.901 1.00 0.00 C ATOM 0 H VAL A 46 -19.921 7.877 3.457 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.631 10.450 4.752 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.297 7.616 5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.552 8.643 8.034 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.112 9.252 7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.579 10.255 7.280 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.548 7.943 6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.656 9.523 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.563 8.031 4.989 1.00 0.00 H new ATOM 776 N THR A 47 -17.039 8.424 5.034 1.00 0.00 N ATOM 777 CA THR A 47 -15.578 8.394 5.079 1.00 0.00 C ATOM 778 C THR A 47 -15.022 7.196 4.315 1.00 0.00 C ATOM 779 O THR A 47 -15.684 6.171 4.176 1.00 0.00 O ATOM 780 CB THR A 47 -15.097 8.353 6.530 1.00 0.00 C ATOM 781 OG1 THR A 47 -15.855 9.237 7.335 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.638 8.727 6.686 1.00 0.00 C ATOM 0 H THR A 47 -17.488 7.546 5.294 1.00 0.00 H new ATOM 0 HA THR A 47 -15.211 9.302 4.600 1.00 0.00 H new ATOM 0 HB THR A 47 -15.228 7.319 6.849 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.533 9.195 8.260 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.360 8.678 7.739 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.021 8.032 6.115 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.481 9.740 6.316 1.00 0.00 H new ATOM 790 N HIS A 48 -13.789 7.329 3.836 1.00 0.00 N ATOM 791 CA HIS A 48 -13.132 6.255 3.101 1.00 0.00 C ATOM 792 C HIS A 48 -12.134 5.531 4.000 1.00 0.00 C ATOM 793 O HIS A 48 -11.360 6.165 4.717 1.00 0.00 O ATOM 794 CB HIS A 48 -12.419 6.811 1.868 1.00 0.00 C ATOM 795 CG HIS A 48 -13.321 7.581 0.955 1.00 0.00 C ATOM 796 ND1 HIS A 48 -13.364 7.379 -0.409 1.00 0.00 N ATOM 797 CD2 HIS A 48 -14.221 8.559 1.215 1.00 0.00 C ATOM 798 CE1 HIS A 48 -14.248 8.199 -0.947 1.00 0.00 C ATOM 799 NE2 HIS A 48 -14.783 8.925 0.016 1.00 0.00 N ATOM 0 H HIS A 48 -13.224 8.172 3.944 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.892 5.545 2.775 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.603 7.458 2.190 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.972 5.986 1.314 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.454 8.974 2.185 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.492 8.264 -1.997 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.498 9.642 -0.109 1.00 0.00 H new ATOM 808 N THR A 49 -12.161 4.202 3.969 1.00 0.00 N ATOM 809 CA THR A 49 -11.261 3.406 4.797 1.00 0.00 C ATOM 810 C THR A 49 -10.526 2.352 3.975 1.00 0.00 C ATOM 811 O THR A 49 -11.092 1.750 3.065 1.00 0.00 O ATOM 812 CB THR A 49 -12.040 2.730 5.925 1.00 0.00 C ATOM 813 OG1 THR A 49 -12.754 3.689 6.687 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.159 1.951 6.878 1.00 0.00 C ATOM 0 H THR A 49 -12.793 3.656 3.383 1.00 0.00 H new ATOM 0 HA THR A 49 -10.519 4.083 5.221 1.00 0.00 H new ATOM 0 HB THR A 49 -12.718 2.034 5.431 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.247 3.237 7.403 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.775 1.497 7.654 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.632 1.170 6.330 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.435 2.624 7.337 1.00 0.00 H new ATOM 822 N SER A 50 -9.259 2.135 4.312 1.00 0.00 N ATOM 823 CA SER A 50 -8.436 1.150 3.618 1.00 0.00 C ATOM 824 C SER A 50 -7.595 0.353 4.609 1.00 0.00 C ATOM 825 O SER A 50 -7.146 0.886 5.626 1.00 0.00 O ATOM 826 CB SER A 50 -7.529 1.836 2.593 1.00 0.00 C ATOM 827 OG SER A 50 -8.274 2.685 1.736 1.00 0.00 O ATOM 0 H SER A 50 -8.778 2.629 5.064 1.00 0.00 H new ATOM 0 HA SER A 50 -9.101 0.462 3.095 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.765 2.417 3.110 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.010 1.082 2.001 1.00 0.00 H new ATOM 0 HG SER A 50 -7.704 2.986 0.998 1.00 0.00 H new ATOM 833 N ASP A 51 -7.385 -0.925 4.311 1.00 0.00 N ATOM 834 CA ASP A 51 -6.599 -1.794 5.181 1.00 0.00 C ATOM 835 C ASP A 51 -5.426 -2.410 4.426 1.00 0.00 C ATOM 836 O ASP A 51 -5.518 -2.679 3.228 1.00 0.00 O ATOM 837 CB ASP A 51 -7.484 -2.897 5.769 1.00 0.00 C ATOM 838 CG ASP A 51 -8.050 -3.821 4.707 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.268 -4.319 3.872 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.278 -4.050 4.718 1.00 0.00 O ATOM 0 H ASP A 51 -7.748 -1.382 3.474 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.200 -1.187 5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.903 -3.482 6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.304 -2.442 6.324 1.00 0.00 H new ATOM 845 N ALA A 52 -4.324 -2.629 5.136 1.00 0.00 N ATOM 846 CA ALA A 52 -3.130 -3.214 4.539 1.00 0.00 C ATOM 847 C ALA A 52 -2.571 -4.336 5.407 1.00 0.00 C ATOM 848 O ALA A 52 -2.565 -4.242 6.634 1.00 0.00 O ATOM 849 CB ALA A 52 -2.073 -2.142 4.315 1.00 0.00 C ATOM 0 H ALA A 52 -4.234 -2.409 6.128 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.410 -3.642 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.187 -2.593 3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.467 -1.377 3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.807 -1.688 5.270 1.00 0.00 H new ATOM 855 N THR A 53 -2.100 -5.397 4.760 1.00 0.00 N ATOM 856 CA THR A 53 -1.535 -6.540 5.469 1.00 0.00 C ATOM 857 C THR A 53 -0.310 -7.081 4.742 1.00 0.00 C ATOM 858 O THR A 53 -0.431 -7.725 3.700 1.00 0.00 O ATOM 859 CB THR A 53 -2.583 -7.644 5.618 1.00 0.00 C ATOM 860 OG1 THR A 53 -3.892 -7.114 5.497 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.502 -8.371 6.944 1.00 0.00 C ATOM 0 H THR A 53 -2.098 -5.489 3.744 1.00 0.00 H new ATOM 0 HA THR A 53 -1.228 -6.204 6.459 1.00 0.00 H new ATOM 0 HB THR A 53 -2.370 -8.354 4.819 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.463 -7.758 5.028 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.273 -9.141 6.985 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.521 -8.834 7.046 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.654 -7.662 7.758 1.00 0.00 H new ATOM 869 N LEU A 54 0.869 -6.816 5.294 1.00 0.00 N ATOM 870 CA LEU A 54 2.114 -7.277 4.691 1.00 0.00 C ATOM 871 C LEU A 54 2.634 -8.526 5.395 1.00 0.00 C ATOM 872 O LEU A 54 2.511 -8.664 6.612 1.00 0.00 O ATOM 873 CB LEU A 54 3.169 -6.171 4.743 1.00 0.00 C ATOM 874 CG LEU A 54 3.098 -5.157 3.598 1.00 0.00 C ATOM 875 CD1 LEU A 54 3.196 -3.735 4.132 1.00 0.00 C ATOM 876 CD2 LEU A 54 4.200 -5.422 2.582 1.00 0.00 C ATOM 0 H LEU A 54 0.989 -6.285 6.157 1.00 0.00 H new ATOM 0 HA LEU A 54 1.911 -7.529 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.068 -5.637 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.157 -6.631 4.740 1.00 0.00 H new ATOM 0 HG LEU A 54 2.135 -5.270 3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.144 -3.030 3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.372 -3.547 4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.143 -3.608 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.134 -4.692 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.172 -5.338 3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.084 -6.426 2.173 1.00 0.00 H new ATOM 888 N HIS A 55 3.220 -9.434 4.620 1.00 0.00 N ATOM 889 CA HIS A 55 3.762 -10.673 5.166 1.00 0.00 C ATOM 890 C HIS A 55 5.284 -10.612 5.248 1.00 0.00 C ATOM 891 O HIS A 55 5.947 -10.126 4.332 1.00 0.00 O ATOM 892 CB HIS A 55 3.337 -11.866 4.306 1.00 0.00 C ATOM 893 CG HIS A 55 1.994 -12.417 4.671 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.810 -13.699 5.145 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.763 -11.853 4.632 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.526 -13.900 5.380 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.131 -12.796 5.077 1.00 0.00 N ATOM 0 H HIS A 55 3.331 -9.334 3.611 1.00 0.00 H new ATOM 0 HA HIS A 55 3.364 -10.799 6.173 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.324 -11.563 3.259 1.00 0.00 H new ATOM 0 HB3 HIS A 55 4.083 -12.656 4.400 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.550 -14.385 5.291 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.528 -10.849 4.311 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.088 -14.813 5.756 1.00 0.00 H new ATOM 906 N VAL A 56 5.832 -11.107 6.353 1.00 0.00 N ATOM 907 CA VAL A 56 7.275 -11.109 6.558 1.00 0.00 C ATOM 908 C VAL A 56 7.745 -12.450 7.113 1.00 0.00 C ATOM 909 O VAL A 56 6.989 -13.158 7.776 1.00 0.00 O ATOM 910 CB VAL A 56 7.711 -9.986 7.519 1.00 0.00 C ATOM 911 CG1 VAL A 56 9.221 -9.803 7.477 1.00 0.00 C ATOM 912 CG2 VAL A 56 7.001 -8.683 7.182 1.00 0.00 C ATOM 0 H VAL A 56 5.297 -11.512 7.121 1.00 0.00 H new ATOM 0 HA VAL A 56 7.734 -10.938 5.584 1.00 0.00 H new ATOM 0 HB VAL A 56 7.429 -10.274 8.532 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.510 -9.006 8.162 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.708 -10.731 7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.528 -9.540 6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.323 -7.904 7.873 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.247 -8.388 6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.924 -8.822 7.270 1.00 0.00 H new ATOM 922 N ASN A 57 8.999 -12.793 6.837 1.00 0.00 N ATOM 923 CA ASN A 57 9.564 -14.051 7.312 1.00 0.00 C ATOM 924 C ASN A 57 9.663 -14.057 8.835 1.00 0.00 C ATOM 925 O ASN A 57 10.523 -13.396 9.416 1.00 0.00 O ATOM 926 CB ASN A 57 10.947 -14.277 6.698 1.00 0.00 C ATOM 927 CG ASN A 57 10.869 -14.792 5.274 1.00 0.00 C ATOM 928 OD1 ASN A 57 9.956 -14.445 4.525 1.00 0.00 O ATOM 929 ND2 ASN A 57 11.829 -15.629 4.893 1.00 0.00 N ATOM 0 H ASN A 57 9.641 -12.220 6.289 1.00 0.00 H new ATOM 0 HA ASN A 57 8.902 -14.860 7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.506 -13.341 6.713 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.501 -14.989 7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.827 -16.010 3.947 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.567 -15.890 5.547 1.00 0.00 H new ATOM 936 N GLY A 58 8.777 -14.813 9.476 1.00 0.00 N ATOM 937 CA GLY A 58 8.782 -14.894 10.925 1.00 0.00 C ATOM 938 C GLY A 58 7.719 -14.024 11.569 1.00 0.00 C ATOM 939 O GLY A 58 7.318 -14.266 12.707 1.00 0.00 O ATOM 0 H GLY A 58 8.056 -15.371 9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.628 -15.930 11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.762 -14.596 11.297 1.00 0.00 H new ATOM 943 N GLY A 59 7.262 -13.006 10.844 1.00 0.00 N ATOM 944 CA GLY A 59 6.246 -12.118 11.378 1.00 0.00 C ATOM 945 C GLY A 59 5.367 -11.516 10.298 1.00 0.00 C ATOM 946 O GLY A 59 5.720 -11.533 9.119 1.00 0.00 O ATOM 0 H GLY A 59 7.576 -12.782 9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.623 -12.668 12.083 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.728 -11.316 11.937 1.00 0.00 H new ATOM 950 N GLU A 60 4.219 -10.982 10.701 1.00 0.00 N ATOM 951 CA GLU A 60 3.287 -10.371 9.762 1.00 0.00 C ATOM 952 C GLU A 60 2.671 -9.107 10.354 1.00 0.00 C ATOM 953 O GLU A 60 2.212 -9.108 11.496 1.00 0.00 O ATOM 954 CB GLU A 60 2.185 -11.363 9.386 1.00 0.00 C ATOM 955 CG GLU A 60 2.698 -12.600 8.667 1.00 0.00 C ATOM 956 CD GLU A 60 1.763 -13.786 8.808 1.00 0.00 C ATOM 957 OE1 GLU A 60 0.680 -13.764 8.187 1.00 0.00 O ATOM 958 OE2 GLU A 60 2.114 -14.735 9.539 1.00 0.00 O ATOM 0 H GLU A 60 3.912 -10.960 11.673 1.00 0.00 H new ATOM 0 HA GLU A 60 3.841 -10.098 8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.661 -11.670 10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.456 -10.860 8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.832 -12.372 7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.678 -12.866 9.063 1.00 0.00 H new ATOM 965 N ILE A 61 2.669 -8.030 9.575 1.00 0.00 N ATOM 966 CA ILE A 61 2.112 -6.761 10.031 1.00 0.00 C ATOM 967 C ILE A 61 0.721 -6.532 9.450 1.00 0.00 C ATOM 968 O ILE A 61 0.483 -6.778 8.268 1.00 0.00 O ATOM 969 CB ILE A 61 3.015 -5.572 9.645 1.00 0.00 C ATOM 970 CG1 ILE A 61 4.492 -5.937 9.821 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.663 -4.348 10.478 1.00 0.00 C ATOM 972 CD1 ILE A 61 5.179 -6.311 8.526 1.00 0.00 C ATOM 0 H ILE A 61 3.046 -8.010 8.627 1.00 0.00 H new ATOM 0 HA ILE A 61 2.049 -6.820 11.118 1.00 0.00 H new ATOM 0 HB ILE A 61 2.845 -5.336 8.594 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.016 -5.093 10.270 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.572 -6.770 10.519 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.309 -3.517 10.194 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.622 -4.075 10.302 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.806 -4.574 11.535 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.222 -6.558 8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.680 -7.174 8.085 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.131 -5.471 7.833 1.00 0.00 H new ATOM 984 N HIS A 62 -0.189 -6.043 10.287 1.00 0.00 N ATOM 985 CA HIS A 62 -1.554 -5.763 9.860 1.00 0.00 C ATOM 986 C HIS A 62 -1.999 -4.393 10.359 1.00 0.00 C ATOM 987 O HIS A 62 -2.168 -4.189 11.561 1.00 0.00 O ATOM 988 CB HIS A 62 -2.506 -6.844 10.377 1.00 0.00 C ATOM 989 CG HIS A 62 -3.743 -7.002 9.550 1.00 0.00 C ATOM 990 ND1 HIS A 62 -4.628 -8.045 9.711 1.00 0.00 N ATOM 991 CD2 HIS A 62 -4.242 -6.238 8.548 1.00 0.00 C ATOM 992 CE1 HIS A 62 -5.619 -7.919 8.844 1.00 0.00 C ATOM 993 NE2 HIS A 62 -5.407 -6.829 8.127 1.00 0.00 N ATOM 0 H HIS A 62 -0.004 -5.832 11.268 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.580 -5.763 8.770 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.977 -7.796 10.409 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.792 -6.604 11.401 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.804 -5.333 8.154 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.458 -8.591 8.740 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.011 -6.483 7.382 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.187 -3.455 9.436 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.609 -2.108 9.802 1.00 0.00 C ATOM 1004 C ALA A 63 -3.617 -1.554 8.802 1.00 0.00 C ATOM 1005 O ALA A 63 -3.785 -2.095 7.710 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.404 -1.186 9.902 1.00 0.00 C ATOM 0 H ALA A 63 -2.055 -3.601 8.435 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.096 -2.161 10.776 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.734 -0.184 10.176 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.720 -1.563 10.662 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.893 -1.149 8.940 1.00 0.00 H new ATOM 1012 N SER A 64 -4.279 -0.466 9.182 1.00 0.00 N ATOM 1013 CA SER A 64 -5.265 0.176 8.322 1.00 0.00 C ATOM 1014 C SER A 64 -5.152 1.692 8.434 1.00 0.00 C ATOM 1015 O SER A 64 -4.755 2.214 9.476 1.00 0.00 O ATOM 1016 CB SER A 64 -6.678 -0.274 8.700 1.00 0.00 C ATOM 1017 OG SER A 64 -6.960 -1.562 8.179 1.00 0.00 O ATOM 0 H SER A 64 -4.149 -0.009 10.085 1.00 0.00 H new ATOM 0 HA SER A 64 -5.070 -0.118 7.291 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.781 -0.287 9.785 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.405 0.443 8.319 1.00 0.00 H new ATOM 0 HG SER A 64 -7.868 -1.827 8.436 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.491 2.397 7.361 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.414 3.852 7.359 1.00 0.00 C ATOM 1025 C ALA A 65 -6.578 4.475 6.599 1.00 0.00 C ATOM 1026 O ALA A 65 -7.160 3.856 5.709 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.091 4.308 6.763 1.00 0.00 C ATOM 0 H ALA A 65 -5.820 1.988 6.487 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.476 4.189 8.394 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.046 5.397 6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.268 3.909 7.356 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.009 3.946 5.738 1.00 0.00 H new ATOM 1033 N GLU A 66 -6.905 5.711 6.958 1.00 0.00 N ATOM 1034 CA GLU A 66 -7.993 6.439 6.317 1.00 0.00 C ATOM 1035 C GLU A 66 -7.592 7.890 6.074 1.00 0.00 C ATOM 1036 O GLU A 66 -6.635 8.385 6.670 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.255 6.381 7.178 1.00 0.00 C ATOM 1038 CG GLU A 66 -8.997 6.640 8.653 1.00 0.00 C ATOM 1039 CD GLU A 66 -10.266 6.609 9.481 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -10.820 5.506 9.678 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -10.707 7.685 9.936 1.00 0.00 O ATOM 0 H GLU A 66 -6.429 6.232 7.694 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.202 5.968 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.971 7.115 6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.717 5.400 7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.301 5.892 9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.516 7.611 8.769 1.00 0.00 H new ATOM 1048 N GLY A 67 -8.323 8.567 5.195 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.017 9.952 4.896 1.00 0.00 C ATOM 1050 C GLY A 67 -9.253 10.762 4.558 1.00 0.00 C ATOM 1051 O GLY A 67 -9.982 11.196 5.450 1.00 0.00 O ATOM 0 H GLY A 67 -9.119 8.182 4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.515 10.402 5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.320 9.994 4.059 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.487 10.966 3.267 1.00 0.00 N ATOM 1056 CA GLN A 68 -10.644 11.733 2.811 1.00 0.00 C ATOM 1057 C GLN A 68 -11.285 11.099 1.572 1.00 0.00 C ATOM 1058 O GLN A 68 -12.457 11.344 1.283 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.234 13.174 2.504 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.413 14.101 2.260 1.00 0.00 C ATOM 1061 CD GLN A 68 -11.021 15.355 1.502 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -9.838 15.627 1.299 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -12.017 16.126 1.080 1.00 0.00 N ATOM 0 H GLN A 68 -8.893 10.612 2.517 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.382 11.729 3.613 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.644 13.560 3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.589 13.180 1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.181 13.567 1.700 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.854 14.382 3.216 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.983 15.861 1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.816 16.983 0.565 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.519 10.288 0.845 1.00 0.00 N ATOM 1073 CA ASP A 69 -11.022 9.628 -0.353 1.00 0.00 C ATOM 1074 C ASP A 69 -10.257 8.333 -0.614 1.00 0.00 C ATOM 1075 O ASP A 69 -9.314 8.003 0.107 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.911 10.558 -1.566 1.00 0.00 C ATOM 1077 CG ASP A 69 -9.573 11.269 -1.634 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -9.186 11.909 -0.634 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -8.913 11.190 -2.691 1.00 0.00 O ATOM 0 H ASP A 69 -9.547 10.073 1.067 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.073 9.386 -0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.058 9.979 -2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.710 11.298 -1.526 1.00 0.00 H new ATOM 1084 N MET A 70 -10.668 7.600 -1.641 1.00 0.00 N ATOM 1085 CA MET A 70 -10.023 6.338 -1.989 1.00 0.00 C ATOM 1086 C MET A 70 -8.534 6.530 -2.274 1.00 0.00 C ATOM 1087 O MET A 70 -7.749 5.588 -2.169 1.00 0.00 O ATOM 1088 CB MET A 70 -10.704 5.710 -3.205 1.00 0.00 C ATOM 1089 CG MET A 70 -10.206 4.311 -3.526 1.00 0.00 C ATOM 1090 SD MET A 70 -11.314 3.022 -2.925 1.00 0.00 S ATOM 1091 CE MET A 70 -11.449 1.987 -4.379 1.00 0.00 C ATOM 0 H MET A 70 -11.446 7.857 -2.249 1.00 0.00 H new ATOM 0 HA MET A 70 -10.123 5.671 -1.133 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.779 5.673 -3.030 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.544 6.351 -4.072 1.00 0.00 H new ATOM 0 HG2 MET A 70 -10.090 4.210 -4.605 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.219 4.171 -3.084 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.236 1.248 -4.228 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.693 2.604 -5.244 1.00 0.00 H new ATOM 0 HE3 MET A 70 -10.501 1.478 -4.552 1.00 0.00 H new ATOM 1101 N TYR A 71 -8.151 7.749 -2.639 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.754 8.051 -2.940 1.00 0.00 C ATOM 1103 C TYR A 71 -5.981 8.389 -1.669 1.00 0.00 C ATOM 1104 O TYR A 71 -4.841 7.962 -1.491 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.662 9.210 -3.932 1.00 0.00 C ATOM 1106 CG TYR A 71 -7.232 8.889 -5.295 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.667 7.902 -6.092 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -8.337 9.575 -5.786 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -7.186 7.607 -7.338 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -8.861 9.285 -7.030 1.00 0.00 C ATOM 1111 CZ TYR A 71 -8.282 8.301 -7.803 1.00 0.00 C ATOM 1112 OH TYR A 71 -8.801 8.009 -9.043 1.00 0.00 O ATOM 0 H TYR A 71 -8.785 8.542 -2.734 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.307 7.164 -3.388 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.189 10.071 -3.521 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.617 9.499 -4.044 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.808 7.356 -5.732 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.793 10.347 -5.184 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.735 6.836 -7.945 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.721 9.827 -7.396 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.572 8.587 -9.219 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.609 9.160 -0.789 1.00 0.00 N ATOM 1123 CA ALA A 72 -5.978 9.555 0.465 1.00 0.00 C ATOM 1124 C ALA A 72 -5.815 8.358 1.395 1.00 0.00 C ATOM 1125 O ALA A 72 -4.798 8.220 2.075 1.00 0.00 O ATOM 1126 CB ALA A 72 -6.789 10.651 1.141 1.00 0.00 C ATOM 0 H ALA A 72 -7.553 9.524 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.985 9.943 0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.307 10.936 2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.848 11.518 0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.794 10.284 1.349 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.825 7.493 1.419 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.796 6.305 2.264 1.00 0.00 C ATOM 1134 C ALA A 73 -5.569 5.448 1.969 1.00 0.00 C ATOM 1135 O ALA A 73 -4.951 4.896 2.880 1.00 0.00 O ATOM 1136 CB ALA A 73 -8.068 5.494 2.074 1.00 0.00 C ATOM 0 H ALA A 73 -7.674 7.593 0.862 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.736 6.630 3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.034 4.610 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.931 6.102 2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.152 5.188 1.031 1.00 0.00 H new ATOM 1142 N ILE A 74 -5.222 5.341 0.691 1.00 0.00 N ATOM 1143 CA ILE A 74 -4.067 4.553 0.277 1.00 0.00 C ATOM 1144 C ILE A 74 -2.769 5.292 0.586 1.00 0.00 C ATOM 1145 O ILE A 74 -1.742 4.673 0.870 1.00 0.00 O ATOM 1146 CB ILE A 74 -4.117 4.223 -1.227 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.448 3.557 -1.582 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.951 3.322 -1.614 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.643 2.207 -0.926 1.00 0.00 C ATOM 0 H ILE A 74 -5.724 5.790 -0.076 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.097 3.620 0.840 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.034 5.154 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.265 4.216 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.508 3.438 -2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.002 3.099 -2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.011 3.828 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.005 2.393 -1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.607 1.794 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.847 1.532 -1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.615 2.322 0.158 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.822 6.618 0.534 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.649 7.441 0.813 1.00 0.00 C ATOM 1163 C ASP A 75 -1.177 7.238 2.250 1.00 0.00 C ATOM 1164 O ASP A 75 -0.019 6.899 2.492 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.967 8.918 0.565 1.00 0.00 C ATOM 1166 CG ASP A 75 -1.207 9.482 -0.619 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -1.373 8.951 -1.738 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -0.446 10.454 -0.428 1.00 0.00 O ATOM 0 H ASP A 75 -3.663 7.146 0.302 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.847 7.135 0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.037 9.033 0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.723 9.494 1.458 1.00 0.00 H new ATOM 1173 N GLY A 76 -2.084 7.445 3.199 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.742 7.278 4.600 1.00 0.00 C ATOM 1175 C GLY A 76 -1.502 5.827 4.966 1.00 0.00 C ATOM 1176 O GLY A 76 -0.725 5.529 5.874 1.00 0.00 O ATOM 0 H GLY A 76 -3.049 7.725 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.848 7.860 4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.546 7.678 5.218 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.167 4.922 4.255 1.00 0.00 N ATOM 1181 CA LEU A 77 -2.021 3.493 4.506 1.00 0.00 C ATOM 1182 C LEU A 77 -0.622 3.020 4.122 1.00 0.00 C ATOM 1183 O LEU A 77 0.007 2.251 4.848 1.00 0.00 O ATOM 1184 CB LEU A 77 -3.078 2.711 3.719 1.00 0.00 C ATOM 1185 CG LEU A 77 -2.935 1.189 3.766 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.755 0.714 5.200 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -4.146 0.522 3.130 1.00 0.00 C ATOM 0 H LEU A 77 -2.813 5.153 3.500 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.165 3.312 5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.063 2.979 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.042 3.031 2.678 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.048 0.908 3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.655 -0.371 5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.858 1.167 5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.623 1.006 5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.029 -0.561 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.047 0.810 3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.231 0.838 2.090 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.143 3.494 2.978 1.00 0.00 N ATOM 1200 CA ILE A 78 1.184 3.129 2.496 1.00 0.00 C ATOM 1201 C ILE A 78 2.268 3.944 3.199 1.00 0.00 C ATOM 1202 O ILE A 78 3.447 3.590 3.155 1.00 0.00 O ATOM 1203 CB ILE A 78 1.297 3.331 0.971 1.00 0.00 C ATOM 1204 CG1 ILE A 78 0.289 2.440 0.246 1.00 0.00 C ATOM 1205 CG2 ILE A 78 2.712 3.036 0.490 1.00 0.00 C ATOM 1206 CD1 ILE A 78 0.458 0.969 0.553 1.00 0.00 C ATOM 0 H ILE A 78 -0.653 4.132 2.367 1.00 0.00 H new ATOM 0 HA ILE A 78 1.331 2.073 2.724 1.00 0.00 H new ATOM 0 HB ILE A 78 1.072 4.373 0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.720 2.747 0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.387 2.593 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.768 3.185 -0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.412 3.708 0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.969 2.004 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.289 0.395 0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.455 0.647 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.331 0.804 1.623 1.00 0.00 H new ATOM 1218 N ASP A 79 1.864 5.030 3.853 1.00 0.00 N ATOM 1219 CA ASP A 79 2.808 5.880 4.567 1.00 0.00 C ATOM 1220 C ASP A 79 3.221 5.236 5.886 1.00 0.00 C ATOM 1221 O ASP A 79 4.400 4.977 6.121 1.00 0.00 O ATOM 1222 CB ASP A 79 2.195 7.259 4.823 1.00 0.00 C ATOM 1223 CG ASP A 79 3.239 8.359 4.856 1.00 0.00 C ATOM 1224 OD1 ASP A 79 3.865 8.552 5.920 1.00 0.00 O ATOM 1225 OD2 ASP A 79 3.429 9.028 3.819 1.00 0.00 O ATOM 0 H ASP A 79 0.893 5.340 3.902 1.00 0.00 H new ATOM 0 HA ASP A 79 3.697 6.000 3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.464 7.479 4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.657 7.244 5.771 1.00 0.00 H new ATOM 1230 N LYS A 80 2.237 4.976 6.743 1.00 0.00 N ATOM 1231 CA LYS A 80 2.496 4.358 8.037 1.00 0.00 C ATOM 1232 C LYS A 80 3.011 2.933 7.862 1.00 0.00 C ATOM 1233 O LYS A 80 3.864 2.474 8.622 1.00 0.00 O ATOM 1234 CB LYS A 80 1.228 4.354 8.895 1.00 0.00 C ATOM 1235 CG LYS A 80 -0.015 3.903 8.147 1.00 0.00 C ATOM 1236 CD LYS A 80 -0.799 2.866 8.937 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.904 3.512 9.760 1.00 0.00 C ATOM 1238 NZ LYS A 80 -1.361 4.463 10.768 1.00 0.00 N ATOM 0 H LYS A 80 1.255 5.184 6.564 1.00 0.00 H new ATOM 0 HA LYS A 80 3.262 4.945 8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.383 3.699 9.753 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.062 5.358 9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.651 4.765 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.272 3.485 7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.232 2.137 8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.123 2.322 9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.590 4.039 9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.481 2.737 10.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.136 4.818 11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.662 3.976 11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.905 5.261 10.282 1.00 0.00 H new ATOM 1252 N LEU A 81 2.493 2.238 6.853 1.00 0.00 N ATOM 1253 CA LEU A 81 2.909 0.868 6.579 1.00 0.00 C ATOM 1254 C LEU A 81 4.398 0.810 6.255 1.00 0.00 C ATOM 1255 O LEU A 81 5.135 0.007 6.826 1.00 0.00 O ATOM 1256 CB LEU A 81 2.098 0.287 5.417 1.00 0.00 C ATOM 1257 CG LEU A 81 0.749 -0.336 5.795 1.00 0.00 C ATOM 1258 CD1 LEU A 81 0.900 -1.830 6.031 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.156 0.342 7.025 1.00 0.00 C ATOM 0 H LEU A 81 1.786 2.601 6.214 1.00 0.00 H new ATOM 0 HA LEU A 81 2.725 0.272 7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.921 1.079 4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.702 -0.472 4.920 1.00 0.00 H new ATOM 0 HG LEU A 81 0.062 -0.183 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.067 -2.256 6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.268 -2.307 5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.608 -2.001 6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.800 -0.120 7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.839 0.230 7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.005 1.402 6.819 1.00 0.00 H new ATOM 1271 N ALA A 82 4.838 1.671 5.341 1.00 0.00 N ATOM 1272 CA ALA A 82 6.241 1.716 4.950 1.00 0.00 C ATOM 1273 C ALA A 82 7.143 1.902 6.166 1.00 0.00 C ATOM 1274 O ALA A 82 8.012 1.075 6.440 1.00 0.00 O ATOM 1275 CB ALA A 82 6.474 2.831 3.940 1.00 0.00 C ATOM 0 H ALA A 82 4.243 2.345 4.859 1.00 0.00 H new ATOM 0 HA ALA A 82 6.494 0.763 4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.527 2.852 3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.864 2.653 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.198 3.788 4.384 1.00 0.00 H new ATOM 1281 N ARG A 83 6.928 2.995 6.891 1.00 0.00 N ATOM 1282 CA ARG A 83 7.719 3.296 8.082 1.00 0.00 C ATOM 1283 C ARG A 83 7.788 2.090 9.016 1.00 0.00 C ATOM 1284 O ARG A 83 8.786 1.885 9.707 1.00 0.00 O ATOM 1285 CB ARG A 83 7.126 4.496 8.823 1.00 0.00 C ATOM 1286 CG ARG A 83 7.346 5.820 8.110 1.00 0.00 C ATOM 1287 CD ARG A 83 7.831 6.898 9.068 1.00 0.00 C ATOM 1288 NE ARG A 83 7.162 8.177 8.836 1.00 0.00 N ATOM 1289 CZ ARG A 83 7.149 9.177 9.715 1.00 0.00 C ATOM 1290 NH1 ARG A 83 7.767 9.050 10.884 1.00 0.00 N ATOM 1291 NH2 ARG A 83 6.518 10.306 9.425 1.00 0.00 N ATOM 0 H ARG A 83 6.212 3.689 6.675 1.00 0.00 H new ATOM 0 HA ARG A 83 8.732 3.538 7.760 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.056 4.338 8.956 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.566 4.551 9.819 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.076 5.687 7.311 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.416 6.141 7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.654 6.577 10.095 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.908 7.026 8.955 1.00 0.00 H new ATOM 0 HE ARG A 83 6.677 8.311 7.949 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.254 8.183 11.112 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.754 9.819 11.554 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.042 10.409 8.529 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.508 11.072 10.098 1.00 0.00 H new ATOM 1305 N GLN A 84 6.723 1.295 9.031 1.00 0.00 N ATOM 1306 CA GLN A 84 6.665 0.109 9.879 1.00 0.00 C ATOM 1307 C GLN A 84 7.494 -1.027 9.286 1.00 0.00 C ATOM 1308 O GLN A 84 8.262 -1.682 9.989 1.00 0.00 O ATOM 1309 CB GLN A 84 5.215 -0.344 10.061 1.00 0.00 C ATOM 1310 CG GLN A 84 4.351 0.667 10.800 1.00 0.00 C ATOM 1311 CD GLN A 84 3.971 0.203 12.193 1.00 0.00 C ATOM 1312 OE1 GLN A 84 4.409 0.774 13.191 1.00 0.00 O ATOM 1313 NE2 GLN A 84 3.152 -0.840 12.266 1.00 0.00 N ATOM 0 H GLN A 84 5.888 1.450 8.466 1.00 0.00 H new ATOM 0 HA GLN A 84 7.082 0.369 10.852 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.777 -0.537 9.082 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.203 -1.288 10.607 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.886 1.614 10.870 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.445 0.855 10.224 1.00 0.00 H new ATOM 0 HE21 GLN A 84 2.813 -1.283 11.412 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.862 -1.198 13.176 1.00 0.00 H new ATOM 1322 N LEU A 85 7.333 -1.251 7.985 1.00 0.00 N ATOM 1323 CA LEU A 85 8.068 -2.305 7.293 1.00 0.00 C ATOM 1324 C LEU A 85 9.573 -2.090 7.414 1.00 0.00 C ATOM 1325 O LEU A 85 10.326 -3.032 7.667 1.00 0.00 O ATOM 1326 CB LEU A 85 7.666 -2.354 5.815 1.00 0.00 C ATOM 1327 CG LEU A 85 6.434 -3.207 5.485 1.00 0.00 C ATOM 1328 CD1 LEU A 85 6.788 -4.687 5.501 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.293 -2.919 6.452 1.00 0.00 C ATOM 0 H LEU A 85 6.700 -0.717 7.389 1.00 0.00 H new ATOM 0 HA LEU A 85 7.815 -3.255 7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.481 -1.335 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.511 -2.733 5.241 1.00 0.00 H new ATOM 0 HG LEU A 85 6.100 -2.942 4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.902 -5.276 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.563 -4.884 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.154 -4.963 6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.433 -3.537 6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.612 -3.146 7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.016 -1.867 6.385 1.00 0.00 H new ATOM 1341 N THR A 86 10.009 -0.849 7.228 1.00 0.00 N ATOM 1342 CA THR A 86 11.425 -0.511 7.313 1.00 0.00 C ATOM 1343 C THR A 86 11.949 -0.674 8.737 1.00 0.00 C ATOM 1344 O THR A 86 13.054 -1.172 8.949 1.00 0.00 O ATOM 1345 CB THR A 86 11.658 0.922 6.835 1.00 0.00 C ATOM 1346 OG1 THR A 86 10.509 1.719 7.061 1.00 0.00 O ATOM 1347 CG2 THR A 86 11.998 1.016 5.363 1.00 0.00 C ATOM 0 H THR A 86 9.400 -0.058 7.017 1.00 0.00 H new ATOM 0 HA THR A 86 11.971 -1.199 6.667 1.00 0.00 H new ATOM 0 HB THR A 86 12.510 1.283 7.412 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.803 1.462 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.151 2.060 5.091 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.909 0.452 5.163 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.179 0.603 4.773 1.00 0.00 H new ATOM 1355 N LYS A 87 11.150 -0.245 9.710 1.00 0.00 N ATOM 1356 CA LYS A 87 11.537 -0.337 11.116 1.00 0.00 C ATOM 1357 C LYS A 87 11.952 -1.758 11.489 1.00 0.00 C ATOM 1358 O LYS A 87 13.107 -2.006 11.835 1.00 0.00 O ATOM 1359 CB LYS A 87 10.385 0.119 12.013 1.00 0.00 C ATOM 1360 CG LYS A 87 10.826 0.525 13.410 1.00 0.00 C ATOM 1361 CD LYS A 87 11.242 1.986 13.460 1.00 0.00 C ATOM 1362 CE LYS A 87 11.828 2.354 14.814 1.00 0.00 C ATOM 1363 NZ LYS A 87 10.798 2.328 15.889 1.00 0.00 N ATOM 0 H LYS A 87 10.232 0.169 9.552 1.00 0.00 H new ATOM 0 HA LYS A 87 12.395 0.318 11.267 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.880 0.962 11.541 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.655 -0.687 12.091 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.012 0.353 14.114 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.659 -0.103 13.727 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.977 2.183 12.679 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.379 2.618 13.252 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.631 1.660 15.063 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.272 3.348 14.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.225 2.634 16.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.020 2.971 15.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.429 1.361 15.993 1.00 0.00 H new ATOM 1377 N HIS A 88 11.003 -2.686 11.419 1.00 0.00 N ATOM 1378 CA HIS A 88 11.274 -4.079 11.757 1.00 0.00 C ATOM 1379 C HIS A 88 12.325 -4.677 10.822 1.00 0.00 C ATOM 1380 O HIS A 88 13.223 -5.395 11.259 1.00 0.00 O ATOM 1381 CB HIS A 88 9.979 -4.902 11.707 1.00 0.00 C ATOM 1382 CG HIS A 88 9.629 -5.411 10.341 1.00 0.00 C ATOM 1383 ND1 HIS A 88 8.635 -4.858 9.563 1.00 0.00 N ATOM 1384 CD2 HIS A 88 10.147 -6.431 9.616 1.00 0.00 C ATOM 1385 CE1 HIS A 88 8.555 -5.515 8.421 1.00 0.00 C ATOM 1386 NE2 HIS A 88 9.462 -6.473 8.427 1.00 0.00 N ATOM 0 H HIS A 88 10.042 -2.500 11.132 1.00 0.00 H new ATOM 0 HA HIS A 88 11.670 -4.111 12.772 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.074 -5.750 12.386 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.157 -4.289 12.076 1.00 0.00 H new ATOM 0 HD1 HIS A 88 8.052 -4.064 9.828 1.00 0.00 H new ATOM 0 HD2 HIS A 88 10.949 -7.089 9.917 1.00 0.00 H new ATOM 0 HE1 HIS A 88 7.864 -5.304 7.618 1.00 0.00 H new ATOM 1395 N LYS A 89 12.202 -4.376 9.533 1.00 0.00 N ATOM 1396 CA LYS A 89 13.138 -4.884 8.535 1.00 0.00 C ATOM 1397 C LYS A 89 14.570 -4.450 8.846 1.00 0.00 C ATOM 1398 O LYS A 89 15.528 -5.060 8.369 1.00 0.00 O ATOM 1399 CB LYS A 89 12.741 -4.400 7.138 1.00 0.00 C ATOM 1400 CG LYS A 89 13.550 -5.039 6.020 1.00 0.00 C ATOM 1401 CD LYS A 89 13.758 -4.077 4.859 1.00 0.00 C ATOM 1402 CE LYS A 89 15.235 -3.835 4.593 1.00 0.00 C ATOM 1403 NZ LYS A 89 15.760 -2.683 5.378 1.00 0.00 N ATOM 0 H LYS A 89 11.463 -3.783 9.155 1.00 0.00 H new ATOM 0 HA LYS A 89 13.096 -5.973 8.564 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.684 -4.611 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 89 12.861 -3.318 7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.518 -5.358 6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.038 -5.933 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.287 -4.480 3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.267 -3.129 5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 89 15.801 -4.733 4.843 1.00 0.00 H new ATOM 0 HE3 LYS A 89 15.387 -3.649 3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.770 -2.551 5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.238 -1.821 5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 15.639 -2.871 6.394 1.00 0.00 H new ATOM 1417 N ASP A 90 14.713 -3.399 9.649 1.00 0.00 N ATOM 1418 CA ASP A 90 16.031 -2.897 10.017 1.00 0.00 C ATOM 1419 C ASP A 90 16.676 -3.790 11.073 1.00 0.00 C ATOM 1420 O ASP A 90 17.894 -3.963 11.095 1.00 0.00 O ATOM 1421 CB ASP A 90 15.927 -1.463 10.541 1.00 0.00 C ATOM 1422 CG ASP A 90 17.155 -0.637 10.216 1.00 0.00 C ATOM 1423 OD1 ASP A 90 17.746 -0.852 9.137 1.00 0.00 O ATOM 1424 OD2 ASP A 90 17.527 0.224 11.041 1.00 0.00 O ATOM 0 H ASP A 90 13.934 -2.881 10.056 1.00 0.00 H new ATOM 0 HA ASP A 90 16.658 -2.906 9.125 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.047 -0.985 10.111 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.782 -1.484 11.621 1.00 0.00 H new ATOM 1429 N LYS A 91 15.848 -4.354 11.946 1.00 0.00 N ATOM 1430 CA LYS A 91 16.334 -5.230 13.009 1.00 0.00 C ATOM 1431 C LYS A 91 17.170 -6.373 12.439 1.00 0.00 C ATOM 1432 O LYS A 91 18.085 -6.872 13.094 1.00 0.00 O ATOM 1433 CB LYS A 91 15.159 -5.795 13.808 1.00 0.00 C ATOM 1434 CG LYS A 91 14.712 -4.893 14.948 1.00 0.00 C ATOM 1435 CD LYS A 91 13.199 -4.892 15.098 1.00 0.00 C ATOM 1436 CE LYS A 91 12.781 -4.579 16.527 1.00 0.00 C ATOM 1437 NZ LYS A 91 11.419 -5.099 16.832 1.00 0.00 N ATOM 0 H LYS A 91 14.837 -4.221 11.939 1.00 0.00 H new ATOM 0 HA LYS A 91 16.966 -4.638 13.670 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.318 -5.960 13.135 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.439 -6.767 14.213 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.171 -5.227 15.879 1.00 0.00 H new ATOM 0 HG3 LYS A 91 15.061 -3.876 14.767 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.766 -4.155 14.421 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.803 -5.865 14.807 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.500 -5.016 17.220 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.802 -3.501 16.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.170 -4.866 17.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.729 -4.663 16.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.406 -6.131 16.707 1.00 0.00 H new ATOM 1451 N LEU A 92 16.850 -6.783 11.215 1.00 0.00 N ATOM 1452 CA LEU A 92 17.573 -7.866 10.561 1.00 0.00 C ATOM 1453 C LEU A 92 18.960 -7.406 10.123 1.00 0.00 C ATOM 1454 O LEU A 92 19.966 -7.778 10.725 1.00 0.00 O ATOM 1455 CB LEU A 92 16.786 -8.375 9.351 1.00 0.00 C ATOM 1456 CG LEU A 92 15.642 -9.337 9.682 1.00 0.00 C ATOM 1457 CD1 LEU A 92 14.364 -8.562 9.971 1.00 0.00 C ATOM 1458 CD2 LEU A 92 15.428 -10.325 8.544 1.00 0.00 C ATOM 0 H LEU A 92 16.096 -6.382 10.658 1.00 0.00 H new ATOM 0 HA LEU A 92 17.688 -8.678 11.278 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.377 -7.518 8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 92 17.476 -8.875 8.672 1.00 0.00 H new ATOM 0 HG LEU A 92 15.911 -9.901 10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.560 -9.260 10.205 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.526 -7.897 10.820 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.090 -7.973 9.096 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.611 -11.001 8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.180 -9.782 7.632 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.340 -10.901 8.386 1.00 0.00 H new ATOM 1470 N LYS A 93 19.004 -6.593 9.071 1.00 0.00 N ATOM 1471 CA LYS A 93 20.267 -6.080 8.551 1.00 0.00 C ATOM 1472 C LYS A 93 21.133 -7.212 8.002 1.00 0.00 C ATOM 1473 O LYS A 93 21.211 -7.415 6.790 1.00 0.00 O ATOM 1474 CB LYS A 93 21.025 -5.320 9.643 1.00 0.00 C ATOM 1475 CG LYS A 93 21.026 -3.812 9.447 1.00 0.00 C ATOM 1476 CD LYS A 93 21.070 -3.077 10.776 1.00 0.00 C ATOM 1477 CE LYS A 93 22.500 -2.829 11.229 1.00 0.00 C ATOM 1478 NZ LYS A 93 22.641 -2.937 12.708 1.00 0.00 N ATOM 0 H LYS A 93 18.179 -6.275 8.562 1.00 0.00 H new ATOM 0 HA LYS A 93 20.041 -5.394 7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 93 20.580 -5.552 10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 93 22.055 -5.675 9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.886 -3.523 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.134 -3.515 8.895 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.546 -2.126 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 93 20.543 -3.659 11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.163 -3.548 10.748 1.00 0.00 H new ATOM 0 HE3 LYS A 93 22.816 -1.837 10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 23.630 -2.761 12.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 22.028 -2.234 13.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.364 -3.891 13.014 1.00 0.00 H new ATOM 1492 N GLN A 94 21.779 -7.947 8.900 1.00 0.00 N ATOM 1493 CA GLN A 94 22.639 -9.058 8.506 1.00 0.00 C ATOM 1494 C GLN A 94 22.165 -10.363 9.137 1.00 0.00 C ATOM 1495 O GLN A 94 21.167 -10.390 9.857 1.00 0.00 O ATOM 1496 CB GLN A 94 24.086 -8.777 8.908 1.00 0.00 C ATOM 1497 CG GLN A 94 24.263 -8.497 10.391 1.00 0.00 C ATOM 1498 CD GLN A 94 24.083 -7.030 10.732 1.00 0.00 C ATOM 1499 OE1 GLN A 94 24.845 -6.177 10.276 1.00 0.00 O ATOM 1500 NE2 GLN A 94 23.073 -6.731 11.540 1.00 0.00 N ATOM 0 H GLN A 94 21.724 -7.794 9.907 1.00 0.00 H new ATOM 0 HA GLN A 94 22.585 -9.161 7.422 1.00 0.00 H new ATOM 0 HB2 GLN A 94 24.703 -9.632 8.632 1.00 0.00 H new ATOM 0 HB3 GLN A 94 24.453 -7.922 8.339 1.00 0.00 H new ATOM 0 HG2 GLN A 94 23.544 -9.089 10.957 1.00 0.00 H new ATOM 0 HG3 GLN A 94 25.257 -8.819 10.702 1.00 0.00 H new ATOM 0 HE21 GLN A 94 22.467 -7.471 11.894 1.00 0.00 H new ATOM 0 HE22 GLN A 94 22.903 -5.761 11.807 1.00 0.00 H new ATOM 1509 N HIS A 95 22.890 -11.444 8.864 1.00 0.00 N ATOM 1510 CA HIS A 95 22.545 -12.753 9.406 1.00 0.00 C ATOM 1511 C HIS A 95 23.751 -13.392 10.088 1.00 0.00 C ATOM 1512 O HIS A 95 23.612 -13.819 11.254 1.00 0.00 O ATOM 1513 CB HIS A 95 22.027 -13.667 8.295 1.00 0.00 C ATOM 1514 CG HIS A 95 20.534 -13.703 8.198 1.00 0.00 C ATOM 1515 ND1 HIS A 95 19.745 -12.576 8.302 1.00 0.00 N ATOM 1516 CD2 HIS A 95 19.682 -14.739 8.005 1.00 0.00 C ATOM 1517 CE1 HIS A 95 18.474 -12.916 8.178 1.00 0.00 C ATOM 1518 NE2 HIS A 95 18.409 -14.222 7.998 1.00 0.00 N ATOM 1519 OXT HIS A 95 24.823 -13.461 9.452 1.00 0.00 O ATOM 0 H HIS A 95 23.720 -11.439 8.271 1.00 0.00 H new ATOM 0 HA HIS A 95 21.759 -12.617 10.149 1.00 0.00 H new ATOM 0 HB2 HIS A 95 22.437 -13.335 7.341 1.00 0.00 H new ATOM 0 HB3 HIS A 95 22.396 -14.678 8.466 1.00 0.00 H new ATOM 0 HD2 HIS A 95 19.953 -15.777 7.880 1.00 0.00 H new ATOM 0 HE1 HIS A 95 17.632 -12.241 8.217 1.00 0.00 H new ATOM 0 HE2 HIS A 95 17.552 -14.761 7.874 1.00 0.00 H new TER 1528 HIS A 95