USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 480 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 Single : A 51 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 76:sc= 1.29 USER MOD Single : A 58 SER OG : rot 92:sc= 0.0626 USER MOD Single : A 63 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.13) USER MOD Single : A 73 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.36) USER MOD Single : A 74 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.82) USER MOD Single : A 77 ASN : amide:sc= -0.016 X(o=-0.016,f=-0.14) USER MOD Single : A 78 ASN : amide:sc= -0.0034 X(o=-0.0034,f=-0.16) USER MOD Single : A 80 LYS NZ :NH3+ 166:sc=-0.00386 (180deg=-0.181) USER MOD Single : A 82 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.7!) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.257 F(o=-1.3,f=-0.26) USER MOD Single : A 87 ASN :FLIP amide:sc= -0.0673 F(o=-0.8,f=-0.067) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.0887 K(o=0.089,f=-2.9!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 0:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.704 X(o=-0.7,f=-0.83) USER MOD Single : A 97 LYS NZ :NH3+ 155:sc= 0.112 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 102 LYS NZ :NH3+ -111:sc= 0.191 (180deg=-0.702) USER MOD Single : A 105 LYS NZ :NH3+ -178:sc= 1.41 (180deg=1.31) USER MOD Single : A 107 GLN : amide:sc=-0.00846 K(o=-0.0085,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 48 0.033 12.077 -5.220 1.00 0.00 N ATOM 9 CA GLU A 48 0.547 10.831 -5.794 1.00 0.00 C ATOM 10 C GLU A 48 0.664 9.787 -4.700 1.00 0.00 C ATOM 11 O GLU A 48 0.118 8.702 -4.843 1.00 0.00 O ATOM 12 CB GLU A 48 1.930 11.074 -6.415 1.00 0.00 C ATOM 13 CG GLU A 48 2.820 9.830 -6.565 1.00 0.00 C ATOM 14 CD GLU A 48 3.975 10.048 -7.546 1.00 0.00 C ATOM 15 OE1 GLU A 48 4.946 10.773 -7.220 1.00 0.00 O ATOM 16 OE2 GLU A 48 3.924 9.451 -8.647 1.00 0.00 O ATOM 0 HA GLU A 48 -0.137 10.481 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.793 11.521 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.459 11.805 -5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.223 9.556 -5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.212 8.992 -6.905 1.00 0.00 H new ATOM 23 N VAL A 49 1.332 10.135 -3.597 1.00 0.00 N ATOM 24 CA VAL A 49 1.543 9.252 -2.456 1.00 0.00 C ATOM 25 C VAL A 49 0.232 8.571 -2.055 1.00 0.00 C ATOM 26 O VAL A 49 0.194 7.353 -1.945 1.00 0.00 O ATOM 27 CB VAL A 49 2.248 10.012 -1.314 1.00 0.00 C ATOM 28 CG1 VAL A 49 1.522 11.295 -0.885 1.00 0.00 C ATOM 29 CG2 VAL A 49 2.493 9.110 -0.100 1.00 0.00 C ATOM 0 H VAL A 49 1.748 11.058 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 49 2.218 8.441 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 49 3.209 10.319 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.077 11.775 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.454 11.976 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.519 11.047 -0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.991 9.681 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.540 8.736 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.123 8.270 -0.392 1.00 0.00 H new ATOM 39 N ARG A 50 -0.866 9.313 -1.897 1.00 0.00 N ATOM 40 CA ARG A 50 -2.133 8.690 -1.524 1.00 0.00 C ATOM 41 C ARG A 50 -2.643 7.733 -2.604 1.00 0.00 C ATOM 42 O ARG A 50 -3.244 6.724 -2.243 1.00 0.00 O ATOM 43 CB ARG A 50 -3.180 9.737 -1.169 1.00 0.00 C ATOM 44 CG ARG A 50 -2.967 10.519 0.140 1.00 0.00 C ATOM 45 CD ARG A 50 -4.307 11.149 0.542 1.00 0.00 C ATOM 46 NE ARG A 50 -4.211 12.478 1.157 1.00 0.00 N ATOM 47 CZ ARG A 50 -4.315 13.669 0.551 1.00 0.00 C ATOM 48 NH1 ARG A 50 -4.396 13.774 -0.777 1.00 0.00 N ATOM 49 NH2 ARG A 50 -4.349 14.754 1.312 1.00 0.00 N ATOM 0 H ARG A 50 -0.903 10.325 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.945 8.091 -0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.234 10.454 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.150 9.242 -1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.608 9.855 0.926 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.209 11.291 0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.937 11.221 -0.344 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.811 10.479 1.238 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.046 12.498 2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.380 12.935 -1.357 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.474 14.693 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.296 14.667 2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.428 15.676 0.883 1.00 0.00 H new ATOM 63 N ASN A 51 -2.437 8.031 -3.892 1.00 0.00 N ATOM 64 CA ASN A 51 -2.892 7.164 -4.980 1.00 0.00 C ATOM 65 C ASN A 51 -2.114 5.859 -4.963 1.00 0.00 C ATOM 66 O ASN A 51 -2.725 4.792 -4.970 1.00 0.00 O ATOM 67 CB ASN A 51 -2.752 7.838 -6.360 1.00 0.00 C ATOM 68 CG ASN A 51 -4.014 8.534 -6.853 1.00 0.00 C ATOM 69 OD1 ASN A 51 -5.076 8.481 -6.235 1.00 0.00 O ATOM 70 ND2 ASN A 51 -3.912 9.226 -7.969 1.00 0.00 N ATOM 0 H ASN A 51 -1.954 8.873 -4.206 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.951 6.966 -4.817 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.944 8.568 -6.314 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.459 7.084 -7.091 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.721 9.729 -8.333 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.024 9.259 -8.469 1.00 0.00 H new ATOM 77 N ILE A 52 -0.777 5.915 -4.947 1.00 0.00 N ATOM 78 CA ILE A 52 0.013 4.693 -4.926 1.00 0.00 C ATOM 79 C ILE A 52 -0.287 3.900 -3.657 1.00 0.00 C ATOM 80 O ILE A 52 -0.296 2.675 -3.725 1.00 0.00 O ATOM 81 CB ILE A 52 1.524 4.975 -5.076 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.294 3.657 -5.226 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.100 5.699 -3.861 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.657 3.819 -5.890 1.00 0.00 C ATOM 0 H ILE A 52 -0.234 6.779 -4.948 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.273 4.091 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 52 1.634 5.605 -5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.430 3.211 -4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.694 2.960 -5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.165 5.875 -4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.589 6.653 -3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.957 5.086 -2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.144 2.847 -5.963 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.528 4.236 -6.889 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.275 4.491 -5.294 1.00 0.00 H new ATOM 96 N VAL A 53 -0.523 4.565 -2.520 1.00 0.00 N ATOM 97 CA VAL A 53 -0.806 3.928 -1.257 1.00 0.00 C ATOM 98 C VAL A 53 -2.093 3.138 -1.430 1.00 0.00 C ATOM 99 O VAL A 53 -2.061 1.913 -1.299 1.00 0.00 O ATOM 100 CB VAL A 53 -0.813 5.036 -0.178 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.547 4.740 1.117 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.627 5.390 0.219 1.00 0.00 C ATOM 0 H VAL A 53 -0.519 5.584 -2.466 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.062 3.203 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.357 5.843 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.472 5.600 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.596 4.537 0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.100 3.870 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.613 6.171 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.123 4.505 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.169 5.746 -0.657 1.00 0.00 H new ATOM 112 N ASP A 54 -3.193 3.813 -1.757 1.00 0.00 N ATOM 113 CA ASP A 54 -4.512 3.219 -1.956 1.00 0.00 C ATOM 114 C ASP A 54 -4.454 1.991 -2.865 1.00 0.00 C ATOM 115 O ASP A 54 -4.868 0.900 -2.472 1.00 0.00 O ATOM 116 CB ASP A 54 -5.442 4.283 -2.554 1.00 0.00 C ATOM 117 CG ASP A 54 -6.786 3.706 -2.997 1.00 0.00 C ATOM 118 OD1 ASP A 54 -6.836 3.066 -4.070 1.00 0.00 O ATOM 119 OD2 ASP A 54 -7.777 3.945 -2.267 1.00 0.00 O ATOM 0 H ASP A 54 -3.190 4.824 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.893 2.881 -0.992 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.613 5.067 -1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.952 4.750 -3.408 1.00 0.00 H new ATOM 124 N LYS A 55 -3.875 2.157 -4.053 1.00 0.00 N ATOM 125 CA LYS A 55 -3.765 1.103 -5.047 1.00 0.00 C ATOM 126 C LYS A 55 -2.894 -0.036 -4.569 1.00 0.00 C ATOM 127 O LYS A 55 -3.253 -1.204 -4.752 1.00 0.00 O ATOM 128 CB LYS A 55 -3.261 1.716 -6.346 1.00 0.00 C ATOM 129 CG LYS A 55 -4.398 2.538 -6.972 1.00 0.00 C ATOM 130 CD LYS A 55 -3.970 3.192 -8.289 1.00 0.00 C ATOM 131 CE LYS A 55 -3.716 2.088 -9.323 1.00 0.00 C ATOM 132 NZ LYS A 55 -3.393 2.600 -10.661 1.00 0.00 N ATOM 0 H LYS A 55 -3.465 3.042 -4.352 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.746 0.661 -5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.396 2.351 -6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.937 0.934 -7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.258 1.892 -7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.718 3.309 -6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.745 3.871 -8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.068 3.786 -8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.897 1.458 -8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.600 1.453 -9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.234 1.802 -11.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.183 3.178 -11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.533 3.183 -10.611 1.00 0.00 H new ATOM 146 N THR A 56 -1.743 0.266 -3.972 1.00 0.00 N ATOM 147 CA THR A 56 -0.903 -0.806 -3.471 1.00 0.00 C ATOM 148 C THR A 56 -1.683 -1.590 -2.410 1.00 0.00 C ATOM 149 O THR A 56 -1.626 -2.821 -2.414 1.00 0.00 O ATOM 150 CB THR A 56 0.424 -0.231 -2.991 1.00 0.00 C ATOM 151 OG1 THR A 56 1.005 0.401 -4.104 1.00 0.00 O ATOM 152 CG2 THR A 56 1.371 -1.331 -2.506 1.00 0.00 C ATOM 0 H THR A 56 -1.384 1.210 -3.829 1.00 0.00 H new ATOM 0 HA THR A 56 -0.647 -1.520 -4.253 1.00 0.00 H new ATOM 0 HB THR A 56 0.254 0.451 -2.158 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.555 1.256 -4.266 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.307 -0.884 -2.171 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.910 -1.869 -1.678 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.572 -2.024 -3.323 1.00 0.00 H new ATOM 160 N ALA A 57 -2.443 -0.903 -1.545 1.00 0.00 N ATOM 161 CA ALA A 57 -3.219 -1.581 -0.521 1.00 0.00 C ATOM 162 C ALA A 57 -4.277 -2.452 -1.176 1.00 0.00 C ATOM 163 O ALA A 57 -4.435 -3.577 -0.733 1.00 0.00 O ATOM 164 CB ALA A 57 -3.876 -0.613 0.452 1.00 0.00 C ATOM 0 H ALA A 57 -2.530 0.113 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.529 -2.196 0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.443 -1.173 1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.108 -0.022 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.548 0.050 -0.093 1.00 0.00 H new ATOM 170 N SER A 58 -4.959 -1.975 -2.221 1.00 0.00 N ATOM 171 CA SER A 58 -5.982 -2.724 -2.940 1.00 0.00 C ATOM 172 C SER A 58 -5.412 -4.080 -3.381 1.00 0.00 C ATOM 173 O SER A 58 -5.951 -5.133 -3.047 1.00 0.00 O ATOM 174 CB SER A 58 -6.495 -1.865 -4.109 1.00 0.00 C ATOM 175 OG SER A 58 -7.450 -2.556 -4.886 1.00 0.00 O ATOM 0 H SER A 58 -4.809 -1.038 -2.595 1.00 0.00 H new ATOM 0 HA SER A 58 -6.837 -2.943 -2.300 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.937 -0.948 -3.720 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.656 -1.571 -4.740 1.00 0.00 H new ATOM 0 HG SER A 58 -8.349 -2.363 -4.547 1.00 0.00 H new ATOM 181 N PHE A 59 -4.271 -4.094 -4.071 1.00 0.00 N ATOM 182 CA PHE A 59 -3.680 -5.349 -4.529 1.00 0.00 C ATOM 183 C PHE A 59 -3.277 -6.270 -3.378 1.00 0.00 C ATOM 184 O PHE A 59 -3.515 -7.481 -3.434 1.00 0.00 O ATOM 185 CB PHE A 59 -2.464 -5.035 -5.390 1.00 0.00 C ATOM 186 CG PHE A 59 -1.960 -6.231 -6.169 1.00 0.00 C ATOM 187 CD1 PHE A 59 -1.098 -7.165 -5.560 1.00 0.00 C ATOM 188 CD2 PHE A 59 -2.419 -6.453 -7.481 1.00 0.00 C ATOM 189 CE1 PHE A 59 -0.713 -8.322 -6.259 1.00 0.00 C ATOM 190 CE2 PHE A 59 -2.017 -7.603 -8.181 1.00 0.00 C ATOM 191 CZ PHE A 59 -1.171 -8.541 -7.567 1.00 0.00 C ATOM 0 H PHE A 59 -3.743 -3.258 -4.323 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.437 -5.881 -5.106 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.717 -4.236 -6.087 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.663 -4.661 -4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.734 -6.992 -4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.080 -5.739 -7.950 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.063 -9.044 -5.788 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.359 -7.766 -9.192 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.873 -9.431 -8.102 1.00 0.00 H new ATOM 201 N VAL A 60 -2.623 -5.709 -2.360 1.00 0.00 N ATOM 202 CA VAL A 60 -2.176 -6.447 -1.184 1.00 0.00 C ATOM 203 C VAL A 60 -3.400 -6.966 -0.419 1.00 0.00 C ATOM 204 O VAL A 60 -3.331 -8.018 0.206 1.00 0.00 O ATOM 205 CB VAL A 60 -1.270 -5.518 -0.353 1.00 0.00 C ATOM 206 CG1 VAL A 60 -0.899 -6.093 1.016 1.00 0.00 C ATOM 207 CG2 VAL A 60 0.043 -5.256 -1.116 1.00 0.00 C ATOM 0 H VAL A 60 -2.387 -4.717 -2.331 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.587 -7.325 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.842 -4.604 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.260 -5.387 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.806 -6.268 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.366 -7.035 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.682 -4.599 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.557 -6.201 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.180 -4.783 -2.072 1.00 0.00 H new ATOM 217 N ALA A 61 -4.523 -6.255 -0.453 1.00 0.00 N ATOM 218 CA ALA A 61 -5.764 -6.634 0.190 1.00 0.00 C ATOM 219 C ALA A 61 -6.315 -7.839 -0.560 1.00 0.00 C ATOM 220 O ALA A 61 -6.703 -8.810 0.085 1.00 0.00 O ATOM 221 CB ALA A 61 -6.749 -5.458 0.153 1.00 0.00 C ATOM 0 H ALA A 61 -4.590 -5.367 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.604 -6.892 1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.681 -5.749 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.318 -4.605 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.949 -5.184 -0.883 1.00 0.00 H new ATOM 227 N ARG A 62 -6.301 -7.801 -1.899 1.00 0.00 N ATOM 228 CA ARG A 62 -6.822 -8.902 -2.699 1.00 0.00 C ATOM 229 C ARG A 62 -6.000 -10.174 -2.584 1.00 0.00 C ATOM 230 O ARG A 62 -6.538 -11.257 -2.368 1.00 0.00 O ATOM 231 CB ARG A 62 -6.906 -8.484 -4.176 1.00 0.00 C ATOM 232 CG ARG A 62 -8.015 -7.456 -4.391 1.00 0.00 C ATOM 233 CD ARG A 62 -8.367 -7.281 -5.868 1.00 0.00 C ATOM 234 NE ARG A 62 -9.518 -6.378 -6.017 1.00 0.00 N ATOM 235 CZ ARG A 62 -10.053 -5.968 -7.171 1.00 0.00 C ATOM 236 NH1 ARG A 62 -9.485 -6.289 -8.330 1.00 0.00 N ATOM 237 NH2 ARG A 62 -11.161 -5.236 -7.157 1.00 0.00 N ATOM 0 H ARG A 62 -5.935 -7.020 -2.443 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.813 -9.125 -2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.951 -8.066 -4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.093 -9.361 -4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.905 -7.765 -3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.703 -6.497 -3.978 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.509 -6.879 -6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.597 -8.250 -6.311 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.948 -6.032 -5.159 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.635 -6.852 -8.343 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.900 -5.972 -9.206 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.598 -4.990 -6.269 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.574 -4.920 -8.034 1.00 0.00 H new ATOM 251 N ASN A 63 -4.693 -10.053 -2.775 1.00 0.00 N ATOM 252 CA ASN A 63 -3.795 -11.206 -2.735 1.00 0.00 C ATOM 253 C ASN A 63 -3.484 -11.669 -1.318 1.00 0.00 C ATOM 254 O ASN A 63 -3.502 -12.867 -1.062 1.00 0.00 O ATOM 255 CB ASN A 63 -2.493 -10.932 -3.494 1.00 0.00 C ATOM 256 CG ASN A 63 -2.697 -10.805 -4.996 1.00 0.00 C ATOM 257 OD1 ASN A 63 -2.324 -11.679 -5.774 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.300 -9.716 -5.448 1.00 0.00 N ATOM 0 H ASN A 63 -4.227 -9.165 -2.960 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.331 -12.015 -3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.044 -10.014 -3.115 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.787 -11.738 -3.296 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.458 -9.599 -6.449 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.607 -8.995 -4.795 1.00 0.00 H new ATOM 265 N GLY A 64 -3.200 -10.755 -0.392 1.00 0.00 N ATOM 266 CA GLY A 64 -2.878 -11.051 0.999 1.00 0.00 C ATOM 267 C GLY A 64 -1.660 -10.248 1.465 1.00 0.00 C ATOM 268 O GLY A 64 -0.954 -9.654 0.640 1.00 0.00 O ATOM 0 H GLY A 64 -3.188 -9.756 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.735 -10.818 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.679 -12.117 1.111 1.00 0.00 H new ATOM 272 N PRO A 65 -1.371 -10.222 2.781 1.00 0.00 N ATOM 273 CA PRO A 65 -0.247 -9.481 3.348 1.00 0.00 C ATOM 274 C PRO A 65 1.110 -9.966 2.844 1.00 0.00 C ATOM 275 O PRO A 65 2.094 -9.243 3.012 1.00 0.00 O ATOM 276 CB PRO A 65 -0.381 -9.595 4.867 1.00 0.00 C ATOM 277 CG PRO A 65 -1.209 -10.860 5.067 1.00 0.00 C ATOM 278 CD PRO A 65 -2.112 -10.890 3.838 1.00 0.00 C ATOM 0 HA PRO A 65 -0.284 -8.439 3.029 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.593 -9.675 5.349 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.876 -8.722 5.291 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.579 -11.748 5.124 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.788 -10.820 5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.355 -11.915 3.557 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.056 -10.381 4.035 1.00 0.00 H new ATOM 286 N GLU A 66 1.186 -11.135 2.202 1.00 0.00 N ATOM 287 CA GLU A 66 2.443 -11.632 1.669 1.00 0.00 C ATOM 288 C GLU A 66 2.970 -10.654 0.616 1.00 0.00 C ATOM 289 O GLU A 66 4.184 -10.470 0.497 1.00 0.00 O ATOM 290 CB GLU A 66 2.273 -13.045 1.091 1.00 0.00 C ATOM 291 CG GLU A 66 1.399 -13.184 -0.172 1.00 0.00 C ATOM 292 CD GLU A 66 1.498 -14.577 -0.805 1.00 0.00 C ATOM 293 OE1 GLU A 66 1.809 -15.557 -0.088 1.00 0.00 O ATOM 294 OE2 GLU A 66 1.283 -14.701 -2.034 1.00 0.00 O ATOM 0 H GLU A 66 0.388 -11.750 2.042 1.00 0.00 H new ATOM 0 HA GLU A 66 3.173 -11.703 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.263 -13.439 0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.848 -13.680 1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.360 -12.978 0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.701 -12.434 -0.903 1.00 0.00 H new ATOM 301 N PHE A 67 2.056 -10.013 -0.128 1.00 0.00 N ATOM 302 CA PHE A 67 2.412 -9.056 -1.158 1.00 0.00 C ATOM 303 C PHE A 67 2.958 -7.786 -0.558 1.00 0.00 C ATOM 304 O PHE A 67 3.749 -7.111 -1.208 1.00 0.00 O ATOM 305 CB PHE A 67 1.253 -8.758 -2.105 1.00 0.00 C ATOM 306 CG PHE A 67 1.345 -9.660 -3.298 1.00 0.00 C ATOM 307 CD1 PHE A 67 2.174 -9.306 -4.377 1.00 0.00 C ATOM 308 CD2 PHE A 67 0.727 -10.912 -3.262 1.00 0.00 C ATOM 309 CE1 PHE A 67 2.341 -10.195 -5.452 1.00 0.00 C ATOM 310 CE2 PHE A 67 0.891 -11.797 -4.335 1.00 0.00 C ATOM 311 CZ PHE A 67 1.693 -11.442 -5.435 1.00 0.00 C ATOM 0 H PHE A 67 1.051 -10.152 -0.024 1.00 0.00 H new ATOM 0 HA PHE A 67 3.198 -9.519 -1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.302 -8.908 -1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.284 -7.715 -2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.681 -8.353 -4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.126 -11.196 -2.411 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.966 -9.921 -6.289 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.399 -12.758 -4.318 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.810 -12.125 -6.263 1.00 0.00 H new ATOM 321 N GLU A 68 2.539 -7.451 0.658 1.00 0.00 N ATOM 322 CA GLU A 68 3.020 -6.261 1.315 1.00 0.00 C ATOM 323 C GLU A 68 4.526 -6.402 1.501 1.00 0.00 C ATOM 324 O GLU A 68 5.281 -5.486 1.196 1.00 0.00 O ATOM 325 CB GLU A 68 2.335 -6.117 2.681 1.00 0.00 C ATOM 326 CG GLU A 68 2.511 -4.712 3.241 1.00 0.00 C ATOM 327 CD GLU A 68 1.827 -4.552 4.600 1.00 0.00 C ATOM 328 OE1 GLU A 68 0.598 -4.745 4.701 1.00 0.00 O ATOM 329 OE2 GLU A 68 2.540 -4.182 5.567 1.00 0.00 O ATOM 0 H GLU A 68 1.867 -7.993 1.201 1.00 0.00 H new ATOM 0 HA GLU A 68 2.796 -5.377 0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.273 -6.342 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.752 -6.844 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.574 -4.491 3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.099 -3.987 2.539 1.00 0.00 H new ATOM 336 N ALA A 69 4.949 -7.568 1.992 1.00 0.00 N ATOM 337 CA ALA A 69 6.341 -7.864 2.254 1.00 0.00 C ATOM 338 C ALA A 69 7.115 -8.073 0.958 1.00 0.00 C ATOM 339 O ALA A 69 8.284 -7.702 0.881 1.00 0.00 O ATOM 340 CB ALA A 69 6.454 -9.116 3.130 1.00 0.00 C ATOM 0 H ALA A 69 4.319 -8.337 2.219 1.00 0.00 H new ATOM 0 HA ALA A 69 6.774 -7.011 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.505 -9.332 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.939 -8.946 4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.998 -9.962 2.616 1.00 0.00 H new ATOM 346 N ARG A 70 6.496 -8.716 -0.037 1.00 0.00 N ATOM 347 CA ARG A 70 7.119 -8.976 -1.330 1.00 0.00 C ATOM 348 C ARG A 70 7.459 -7.657 -1.998 1.00 0.00 C ATOM 349 O ARG A 70 8.620 -7.389 -2.285 1.00 0.00 O ATOM 350 CB ARG A 70 6.174 -9.735 -2.258 1.00 0.00 C ATOM 351 CG ARG A 70 6.199 -11.252 -2.087 1.00 0.00 C ATOM 352 CD ARG A 70 4.877 -11.806 -2.618 1.00 0.00 C ATOM 353 NE ARG A 70 4.997 -13.198 -3.073 1.00 0.00 N ATOM 354 CZ ARG A 70 5.153 -13.602 -4.340 1.00 0.00 C ATOM 355 NH1 ARG A 70 5.125 -12.758 -5.368 1.00 0.00 N ATOM 356 NH2 ARG A 70 5.353 -14.887 -4.566 1.00 0.00 N ATOM 0 H ARG A 70 5.543 -9.071 0.037 1.00 0.00 H new ATOM 0 HA ARG A 70 8.013 -9.575 -1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.157 -9.380 -2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.428 -9.494 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.039 -11.684 -2.631 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.329 -11.516 -1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.120 -11.746 -1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.531 -11.185 -3.444 1.00 0.00 H new ATOM 0 HE ARG A 70 4.958 -13.924 -2.357 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.980 -11.761 -5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.248 -13.108 -6.318 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.385 -15.543 -3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.475 -15.224 -5.521 1.00 0.00 H new ATOM 370 N ILE A 71 6.428 -6.849 -2.253 1.00 0.00 N ATOM 371 CA ILE A 71 6.559 -5.562 -2.922 1.00 0.00 C ATOM 372 C ILE A 71 7.571 -4.707 -2.164 1.00 0.00 C ATOM 373 O ILE A 71 8.472 -4.150 -2.793 1.00 0.00 O ATOM 374 CB ILE A 71 5.174 -4.896 -3.098 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.257 -5.738 -4.019 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.318 -3.489 -3.699 1.00 0.00 C ATOM 377 CD1 ILE A 71 2.782 -5.321 -3.935 1.00 0.00 C ATOM 0 H ILE A 71 5.468 -7.077 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 71 6.946 -5.690 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 71 4.723 -4.829 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.599 -5.642 -5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.348 -6.790 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.332 -3.040 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.924 -2.871 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.801 -3.557 -4.674 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.189 -5.946 -4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.427 -5.443 -2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.682 -4.277 -4.232 1.00 0.00 H new ATOM 389 N ARG A 72 7.450 -4.639 -0.831 1.00 0.00 N ATOM 390 CA ARG A 72 8.355 -3.860 0.000 1.00 0.00 C ATOM 391 C ARG A 72 9.799 -4.260 -0.253 1.00 0.00 C ATOM 392 O ARG A 72 10.611 -3.388 -0.524 1.00 0.00 O ATOM 393 CB ARG A 72 7.974 -4.014 1.480 1.00 0.00 C ATOM 394 CG ARG A 72 8.694 -3.010 2.378 1.00 0.00 C ATOM 395 CD ARG A 72 8.214 -3.126 3.829 1.00 0.00 C ATOM 396 NE ARG A 72 9.160 -3.889 4.653 1.00 0.00 N ATOM 397 CZ ARG A 72 9.009 -4.188 5.944 1.00 0.00 C ATOM 398 NH1 ARG A 72 7.855 -3.961 6.556 1.00 0.00 N ATOM 399 NH2 ARG A 72 10.028 -4.702 6.621 1.00 0.00 N ATOM 0 H ARG A 72 6.721 -5.124 -0.307 1.00 0.00 H new ATOM 0 HA ARG A 72 8.261 -2.807 -0.265 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.897 -3.887 1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.211 -5.026 1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.769 -3.182 2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.517 -1.998 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.085 -2.129 4.251 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.238 -3.610 3.852 1.00 0.00 H new ATOM 0 HE ARG A 72 10.010 -4.220 4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.075 -3.555 6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.747 -4.192 7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.920 -4.866 6.154 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.920 -4.933 7.609 1.00 0.00 H new ATOM 413 N GLN A 73 10.125 -5.552 -0.185 1.00 0.00 N ATOM 414 CA GLN A 73 11.493 -6.006 -0.390 1.00 0.00 C ATOM 415 C GLN A 73 11.978 -5.907 -1.835 1.00 0.00 C ATOM 416 O GLN A 73 13.162 -5.663 -2.062 1.00 0.00 O ATOM 417 CB GLN A 73 11.642 -7.451 0.121 1.00 0.00 C ATOM 418 CG GLN A 73 13.050 -7.725 0.668 1.00 0.00 C ATOM 419 CD GLN A 73 13.372 -6.775 1.818 1.00 0.00 C ATOM 420 OE1 GLN A 73 12.770 -6.835 2.889 1.00 0.00 O ATOM 421 NE2 GLN A 73 14.274 -5.833 1.610 1.00 0.00 N ATOM 0 H GLN A 73 9.458 -6.298 0.011 1.00 0.00 H new ATOM 0 HA GLN A 73 12.127 -5.328 0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.906 -7.636 0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.426 -8.146 -0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.118 -8.757 1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.785 -7.604 -0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.770 -5.789 0.720 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.475 -5.149 2.340 1.00 0.00 H new ATOM 430 N ASN A 74 11.088 -6.068 -2.811 1.00 0.00 N ATOM 431 CA ASN A 74 11.445 -6.020 -4.225 1.00 0.00 C ATOM 432 C ASN A 74 11.828 -4.624 -4.701 1.00 0.00 C ATOM 433 O ASN A 74 12.690 -4.478 -5.575 1.00 0.00 O ATOM 434 CB ASN A 74 10.250 -6.457 -5.092 1.00 0.00 C ATOM 435 CG ASN A 74 9.878 -7.923 -4.947 1.00 0.00 C ATOM 436 OD1 ASN A 74 10.693 -8.751 -4.550 1.00 0.00 O ATOM 437 ND2 ASN A 74 8.649 -8.275 -5.278 1.00 0.00 N ATOM 0 H ASN A 74 10.096 -6.236 -2.642 1.00 0.00 H new ATOM 0 HA ASN A 74 12.301 -6.687 -4.329 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.385 -5.847 -4.832 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.481 -6.254 -6.138 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.361 -9.251 -5.206 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.988 -7.571 -5.606 1.00 0.00 H new ATOM 444 N GLU A 75 11.198 -3.603 -4.120 1.00 0.00 N ATOM 445 CA GLU A 75 11.370 -2.199 -4.471 1.00 0.00 C ATOM 446 C GLU A 75 11.993 -1.360 -3.342 1.00 0.00 C ATOM 447 O GLU A 75 12.029 -0.135 -3.449 1.00 0.00 O ATOM 448 CB GLU A 75 9.980 -1.658 -4.856 1.00 0.00 C ATOM 449 CG GLU A 75 9.196 -2.459 -5.923 1.00 0.00 C ATOM 450 CD GLU A 75 9.470 -2.050 -7.372 1.00 0.00 C ATOM 451 OE1 GLU A 75 10.612 -1.653 -7.691 1.00 0.00 O ATOM 452 OE2 GLU A 75 8.558 -2.223 -8.221 1.00 0.00 O ATOM 0 H GLU A 75 10.528 -3.740 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 75 12.074 -2.123 -5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.372 -1.608 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.100 -0.636 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.434 -3.516 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.130 -2.350 -5.726 1.00 0.00 H new ATOM 459 N ILE A 76 12.535 -1.987 -2.290 1.00 0.00 N ATOM 460 CA ILE A 76 13.143 -1.320 -1.127 1.00 0.00 C ATOM 461 C ILE A 76 14.237 -0.302 -1.481 1.00 0.00 C ATOM 462 O ILE A 76 14.557 0.609 -0.712 1.00 0.00 O ATOM 463 CB ILE A 76 13.698 -2.400 -0.161 1.00 0.00 C ATOM 464 CG1 ILE A 76 14.006 -1.864 1.249 1.00 0.00 C ATOM 465 CG2 ILE A 76 14.945 -3.105 -0.725 1.00 0.00 C ATOM 466 CD1 ILE A 76 12.762 -1.355 1.974 1.00 0.00 C ATOM 0 H ILE A 76 12.564 -3.004 -2.221 1.00 0.00 H new ATOM 0 HA ILE A 76 12.355 -0.737 -0.650 1.00 0.00 H new ATOM 0 HB ILE A 76 12.890 -3.126 -0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.467 -2.655 1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.734 -1.056 1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.295 -3.851 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.693 -3.593 -1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 76 15.732 -2.370 -0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.041 -0.990 2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.313 -0.544 1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.043 -2.168 2.077 1.00 0.00 H new ATOM 478 N ASN A 77 14.858 -0.488 -2.641 1.00 0.00 N ATOM 479 CA ASN A 77 15.934 0.345 -3.148 1.00 0.00 C ATOM 480 C ASN A 77 15.419 1.664 -3.730 1.00 0.00 C ATOM 481 O ASN A 77 16.242 2.513 -4.066 1.00 0.00 O ATOM 482 CB ASN A 77 16.725 -0.458 -4.192 1.00 0.00 C ATOM 483 CG ASN A 77 17.066 -1.857 -3.691 1.00 0.00 C ATOM 484 OD1 ASN A 77 16.335 -2.809 -3.961 1.00 0.00 O ATOM 485 ND2 ASN A 77 18.124 -2.021 -2.924 1.00 0.00 N ATOM 0 H ASN A 77 14.615 -1.250 -3.273 1.00 0.00 H new ATOM 0 HA ASN A 77 16.589 0.618 -2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.143 -0.533 -5.110 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.644 0.073 -4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 77 18.343 -2.944 -2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.724 -1.226 -2.706 1.00 0.00 H new ATOM 492 N ASN A 78 14.097 1.840 -3.861 1.00 0.00 N ATOM 493 CA ASN A 78 13.459 3.042 -4.395 1.00 0.00 C ATOM 494 C ASN A 78 12.525 3.640 -3.340 1.00 0.00 C ATOM 495 O ASN A 78 11.833 2.903 -2.631 1.00 0.00 O ATOM 496 CB ASN A 78 12.705 2.734 -5.706 1.00 0.00 C ATOM 497 CG ASN A 78 13.493 3.191 -6.932 1.00 0.00 C ATOM 498 OD1 ASN A 78 14.712 3.089 -6.990 1.00 0.00 O ATOM 499 ND2 ASN A 78 12.839 3.742 -7.937 1.00 0.00 N ATOM 0 H ASN A 78 13.424 1.124 -3.588 1.00 0.00 H new ATOM 0 HA ASN A 78 14.229 3.776 -4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.516 1.663 -5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.734 3.229 -5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.349 4.079 -8.754 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.824 3.831 -7.897 1.00 0.00 H new ATOM 506 N PRO A 79 12.430 4.977 -3.276 1.00 0.00 N ATOM 507 CA PRO A 79 11.606 5.687 -2.303 1.00 0.00 C ATOM 508 C PRO A 79 10.101 5.647 -2.579 1.00 0.00 C ATOM 509 O PRO A 79 9.309 5.775 -1.642 1.00 0.00 O ATOM 510 CB PRO A 79 12.138 7.118 -2.335 1.00 0.00 C ATOM 511 CG PRO A 79 12.636 7.278 -3.768 1.00 0.00 C ATOM 512 CD PRO A 79 13.199 5.910 -4.083 1.00 0.00 C ATOM 0 HA PRO A 79 11.685 5.209 -1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.359 7.842 -2.097 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.940 7.265 -1.612 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.829 7.550 -4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.395 8.056 -3.848 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.104 5.682 -5.145 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.260 5.857 -3.840 1.00 0.00 H new ATOM 520 N LYS A 80 9.693 5.408 -3.831 1.00 0.00 N ATOM 521 CA LYS A 80 8.291 5.340 -4.248 1.00 0.00 C ATOM 522 C LYS A 80 7.470 4.379 -3.400 1.00 0.00 C ATOM 523 O LYS A 80 6.300 4.650 -3.133 1.00 0.00 O ATOM 524 CB LYS A 80 8.250 4.866 -5.713 1.00 0.00 C ATOM 525 CG LYS A 80 8.058 6.001 -6.718 1.00 0.00 C ATOM 526 CD LYS A 80 6.575 6.354 -6.910 1.00 0.00 C ATOM 527 CE LYS A 80 6.377 7.359 -8.050 1.00 0.00 C ATOM 528 NZ LYS A 80 6.727 6.791 -9.370 1.00 0.00 N ATOM 0 H LYS A 80 10.346 5.253 -4.599 1.00 0.00 H new ATOM 0 HA LYS A 80 7.856 6.332 -4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.178 4.342 -5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.440 4.147 -5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.600 6.883 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.489 5.713 -7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.009 5.447 -7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.177 6.770 -5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.338 7.689 -8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.989 8.241 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.360 7.408 -10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.761 6.720 -9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.306 5.844 -9.463 1.00 0.00 H new ATOM 542 N PHE A 81 8.096 3.287 -2.973 1.00 0.00 N ATOM 543 CA PHE A 81 7.514 2.215 -2.190 1.00 0.00 C ATOM 544 C PHE A 81 7.792 2.321 -0.692 1.00 0.00 C ATOM 545 O PHE A 81 7.341 1.446 0.053 1.00 0.00 O ATOM 546 CB PHE A 81 8.101 0.916 -2.755 1.00 0.00 C ATOM 547 CG PHE A 81 7.712 0.639 -4.207 1.00 0.00 C ATOM 548 CD1 PHE A 81 8.290 1.342 -5.285 1.00 0.00 C ATOM 549 CD2 PHE A 81 6.722 -0.316 -4.486 1.00 0.00 C ATOM 550 CE1 PHE A 81 7.813 1.147 -6.594 1.00 0.00 C ATOM 551 CE2 PHE A 81 6.235 -0.506 -5.787 1.00 0.00 C ATOM 552 CZ PHE A 81 6.772 0.240 -6.846 1.00 0.00 C ATOM 0 H PHE A 81 9.081 3.122 -3.179 1.00 0.00 H new ATOM 0 HA PHE A 81 6.428 2.258 -2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.188 0.958 -2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.773 0.081 -2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.101 2.032 -5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.327 -0.918 -3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.251 1.700 -7.412 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.450 -1.224 -5.973 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.388 0.118 -7.848 1.00 0.00 H new ATOM 562 N ASN A 82 8.505 3.354 -0.222 1.00 0.00 N ATOM 563 CA ASN A 82 8.831 3.513 1.199 1.00 0.00 C ATOM 564 C ASN A 82 7.603 3.570 2.095 1.00 0.00 C ATOM 565 O ASN A 82 7.737 3.266 3.277 1.00 0.00 O ATOM 566 CB ASN A 82 9.692 4.752 1.462 1.00 0.00 C ATOM 567 CG ASN A 82 11.186 4.538 1.298 1.00 0.00 C ATOM 568 OD1 ASN A 82 11.680 3.416 1.216 1.00 0.00 O ATOM 569 ND2 ASN A 82 11.935 5.621 1.284 1.00 0.00 N ATOM 0 H ASN A 82 8.870 4.099 -0.815 1.00 0.00 H new ATOM 0 HA ASN A 82 9.398 2.617 1.452 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.377 5.546 0.785 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.499 5.102 2.476 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.949 5.539 1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.502 6.542 1.353 1.00 0.00 H new ATOM 576 N PHE A 83 6.414 3.892 1.573 1.00 0.00 N ATOM 577 CA PHE A 83 5.201 3.948 2.390 1.00 0.00 C ATOM 578 C PHE A 83 4.882 2.571 2.998 1.00 0.00 C ATOM 579 O PHE A 83 4.152 2.481 3.988 1.00 0.00 O ATOM 580 CB PHE A 83 4.036 4.548 1.592 1.00 0.00 C ATOM 581 CG PHE A 83 3.596 3.717 0.407 1.00 0.00 C ATOM 582 CD1 PHE A 83 2.761 2.601 0.613 1.00 0.00 C ATOM 583 CD2 PHE A 83 4.014 4.037 -0.901 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.333 1.833 -0.477 1.00 0.00 C ATOM 585 CE2 PHE A 83 3.642 3.226 -1.971 1.00 0.00 C ATOM 586 CZ PHE A 83 2.745 2.174 -1.769 1.00 0.00 C ATOM 0 H PHE A 83 6.268 4.117 0.589 1.00 0.00 H new ATOM 0 HA PHE A 83 5.371 4.617 3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.186 4.684 2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.325 5.538 1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.450 2.337 1.613 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.623 4.912 -1.074 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.688 0.981 -0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.046 3.410 -2.955 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.367 1.621 -2.616 1.00 0.00 H new ATOM 596 N LEU A 84 5.410 1.493 2.402 1.00 0.00 N ATOM 597 CA LEU A 84 5.221 0.133 2.886 1.00 0.00 C ATOM 598 C LEU A 84 6.026 -0.073 4.170 1.00 0.00 C ATOM 599 O LEU A 84 5.673 -0.934 4.976 1.00 0.00 O ATOM 600 CB LEU A 84 5.657 -0.883 1.820 1.00 0.00 C ATOM 601 CG LEU A 84 4.695 -0.991 0.630 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.240 -1.992 -0.390 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.304 -1.452 1.051 1.00 0.00 C ATOM 0 H LEU A 84 5.985 1.549 1.562 1.00 0.00 H new ATOM 0 HA LEU A 84 4.163 -0.022 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.645 -0.606 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.754 -1.864 2.286 1.00 0.00 H new ATOM 0 HG LEU A 84 4.615 0.006 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.552 -2.064 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.214 -1.656 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.342 -2.970 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.660 -1.513 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.372 -2.434 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.884 -0.739 1.761 1.00 0.00 H new ATOM 615 N ASN A 85 7.137 0.649 4.341 1.00 0.00 N ATOM 616 CA ASN A 85 7.966 0.573 5.533 1.00 0.00 C ATOM 617 C ASN A 85 7.339 1.460 6.611 1.00 0.00 C ATOM 618 O ASN A 85 6.672 2.446 6.306 1.00 0.00 O ATOM 619 CB ASN A 85 9.396 1.068 5.274 1.00 0.00 C ATOM 620 CG ASN A 85 10.358 -0.063 4.971 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.362 -0.535 3.743 1.00 0.00 O flip ATOM 622 ND2 ASN A 85 11.093 -0.535 5.843 1.00 0.00 N flip ATOM 0 H ASN A 85 7.484 1.308 3.644 1.00 0.00 H new ATOM 0 HA ASN A 85 8.019 -0.470 5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.389 1.768 4.438 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.750 1.617 6.146 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.073 -0.153 6.789 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.720 -1.307 5.618 1.00 0.00 H new ATOM 629 N PRO A 86 7.628 1.189 7.889 1.00 0.00 N ATOM 630 CA PRO A 86 7.089 1.948 9.011 1.00 0.00 C ATOM 631 C PRO A 86 7.694 3.343 9.162 1.00 0.00 C ATOM 632 O PRO A 86 7.125 4.176 9.867 1.00 0.00 O ATOM 633 CB PRO A 86 7.453 1.123 10.246 1.00 0.00 C ATOM 634 CG PRO A 86 8.684 0.337 9.810 1.00 0.00 C ATOM 635 CD PRO A 86 8.417 0.063 8.343 1.00 0.00 C ATOM 0 HA PRO A 86 6.020 2.105 8.865 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.669 1.761 11.103 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.638 0.460 10.538 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.600 0.911 9.952 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.795 -0.586 10.379 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.347 -0.019 7.781 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.879 -0.876 8.208 1.00 0.00 H new ATOM 643 N ASN A 87 8.845 3.587 8.543 1.00 0.00 N ATOM 644 CA ASN A 87 9.564 4.853 8.615 1.00 0.00 C ATOM 645 C ASN A 87 8.811 5.981 7.920 1.00 0.00 C ATOM 646 O ASN A 87 9.028 7.144 8.247 1.00 0.00 O ATOM 647 CB ASN A 87 10.970 4.669 8.022 1.00 0.00 C ATOM 648 CG ASN A 87 11.652 3.445 8.624 1.00 0.00 C ATOM 649 OD1 ASN A 87 11.644 2.328 7.919 1.00 0.00 O flip ATOM 650 ND2 ASN A 87 12.079 3.437 9.775 1.00 0.00 N flip ATOM 0 H ASN A 87 9.315 2.892 7.963 1.00 0.00 H new ATOM 0 HA ASN A 87 9.649 5.144 9.662 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.902 4.558 6.940 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.571 5.558 8.215 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.087 4.298 10.322 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.426 2.570 10.184 1.00 0.00 H new ATOM 657 N ASP A 88 7.936 5.666 6.964 1.00 0.00 N ATOM 658 CA ASP A 88 7.178 6.693 6.261 1.00 0.00 C ATOM 659 C ASP A 88 6.020 7.176 7.131 1.00 0.00 C ATOM 660 O ASP A 88 5.446 6.394 7.900 1.00 0.00 O ATOM 661 CB ASP A 88 6.669 6.160 4.913 1.00 0.00 C ATOM 662 CG ASP A 88 7.526 6.639 3.740 1.00 0.00 C ATOM 663 OD1 ASP A 88 8.707 6.994 3.941 1.00 0.00 O ATOM 664 OD2 ASP A 88 7.009 6.754 2.607 1.00 0.00 O ATOM 0 H ASP A 88 7.738 4.712 6.662 1.00 0.00 H new ATOM 0 HA ASP A 88 7.834 7.540 6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.663 5.070 4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.639 6.482 4.763 1.00 0.00 H new ATOM 669 N PRO A 89 5.630 8.453 6.996 1.00 0.00 N ATOM 670 CA PRO A 89 4.545 9.031 7.772 1.00 0.00 C ATOM 671 C PRO A 89 3.190 8.496 7.308 1.00 0.00 C ATOM 672 O PRO A 89 2.284 8.306 8.119 1.00 0.00 O ATOM 673 CB PRO A 89 4.654 10.541 7.542 1.00 0.00 C ATOM 674 CG PRO A 89 5.430 10.712 6.242 1.00 0.00 C ATOM 675 CD PRO A 89 6.240 9.437 6.112 1.00 0.00 C ATOM 0 HA PRO A 89 4.619 8.776 8.829 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.667 10.997 7.470 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.170 11.026 8.371 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.759 10.844 5.394 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.075 11.590 6.277 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.239 9.083 5.081 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.280 9.611 6.388 1.00 0.00 H new ATOM 683 N TYR A 90 3.061 8.234 6.006 1.00 0.00 N ATOM 684 CA TYR A 90 1.859 7.735 5.348 1.00 0.00 C ATOM 685 C TYR A 90 1.601 6.254 5.595 1.00 0.00 C ATOM 686 O TYR A 90 0.542 5.756 5.213 1.00 0.00 O ATOM 687 CB TYR A 90 1.987 7.987 3.846 1.00 0.00 C ATOM 688 CG TYR A 90 1.882 9.448 3.477 1.00 0.00 C ATOM 689 CD1 TYR A 90 0.616 9.998 3.221 1.00 0.00 C ATOM 690 CD2 TYR A 90 3.027 10.258 3.392 1.00 0.00 C ATOM 691 CE1 TYR A 90 0.487 11.302 2.731 1.00 0.00 C ATOM 692 CE2 TYR A 90 2.904 11.603 3.004 1.00 0.00 C ATOM 693 CZ TYR A 90 1.637 12.119 2.631 1.00 0.00 C ATOM 694 OH TYR A 90 1.507 13.396 2.179 1.00 0.00 O ATOM 0 H TYR A 90 3.832 8.372 5.352 1.00 0.00 H new ATOM 0 HA TYR A 90 1.010 8.270 5.773 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.945 7.599 3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.210 7.430 3.323 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.269 9.407 3.405 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.999 9.848 3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.480 11.680 2.433 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.774 12.243 2.990 1.00 0.00 H new ATOM 0 HH TYR A 90 2.385 13.830 2.168 1.00 0.00 H new ATOM 704 N HIS A 91 2.543 5.551 6.224 1.00 0.00 N ATOM 705 CA HIS A 91 2.405 4.136 6.504 1.00 0.00 C ATOM 706 C HIS A 91 1.125 3.853 7.289 1.00 0.00 C ATOM 707 O HIS A 91 0.353 2.982 6.908 1.00 0.00 O ATOM 708 CB HIS A 91 3.637 3.672 7.273 1.00 0.00 C ATOM 709 CG HIS A 91 3.577 2.203 7.597 1.00 0.00 C ATOM 710 ND1 HIS A 91 3.873 1.192 6.718 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.158 1.629 8.768 1.00 0.00 C ATOM 712 CE1 HIS A 91 3.680 0.029 7.360 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.232 0.243 8.612 1.00 0.00 N ATOM 0 H HIS A 91 3.421 5.954 6.551 1.00 0.00 H new ATOM 0 HA HIS A 91 2.331 3.583 5.568 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.531 3.878 6.684 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.725 4.244 8.197 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.183 1.304 5.753 1.00 0.00 H new ATOM 0 HD2 HIS A 91 2.829 2.154 9.653 1.00 0.00 H new ATOM 0 HE1 HIS A 91 3.860 -0.946 6.931 1.00 0.00 H new ATOM 721 N ALA A 92 0.869 4.606 8.364 1.00 0.00 N ATOM 722 CA ALA A 92 -0.318 4.409 9.188 1.00 0.00 C ATOM 723 C ALA A 92 -1.622 4.495 8.380 1.00 0.00 C ATOM 724 O ALA A 92 -2.573 3.781 8.701 1.00 0.00 O ATOM 725 CB ALA A 92 -0.287 5.414 10.339 1.00 0.00 C ATOM 0 H ALA A 92 1.476 5.362 8.682 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.301 3.396 9.591 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.169 5.278 10.964 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.610 5.254 10.938 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.279 6.427 9.937 1.00 0.00 H new ATOM 731 N TYR A 93 -1.673 5.355 7.359 1.00 0.00 N ATOM 732 CA TYR A 93 -2.834 5.510 6.492 1.00 0.00 C ATOM 733 C TYR A 93 -2.881 4.321 5.523 1.00 0.00 C ATOM 734 O TYR A 93 -3.959 3.797 5.253 1.00 0.00 O ATOM 735 CB TYR A 93 -2.759 6.856 5.759 1.00 0.00 C ATOM 736 CG TYR A 93 -3.699 6.986 4.575 1.00 0.00 C ATOM 737 CD1 TYR A 93 -5.087 7.051 4.772 1.00 0.00 C ATOM 738 CD2 TYR A 93 -3.179 6.983 3.269 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.943 7.149 3.666 1.00 0.00 C ATOM 740 CE2 TYR A 93 -4.021 7.082 2.140 1.00 0.00 C ATOM 741 CZ TYR A 93 -5.420 7.183 2.356 1.00 0.00 C ATOM 742 OH TYR A 93 -6.312 7.298 1.341 1.00 0.00 O ATOM 0 H TYR A 93 -0.897 5.969 7.112 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.756 5.515 7.074 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.978 7.654 6.469 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.737 7.009 5.413 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.494 7.026 5.772 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.111 6.903 3.126 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.011 7.199 3.818 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.612 7.081 1.140 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.834 7.312 0.486 1.00 0.00 H new ATOM 752 N TYR A 94 -1.728 3.869 5.013 1.00 0.00 N ATOM 753 CA TYR A 94 -1.670 2.726 4.107 1.00 0.00 C ATOM 754 C TYR A 94 -2.290 1.504 4.792 1.00 0.00 C ATOM 755 O TYR A 94 -3.065 0.769 4.176 1.00 0.00 O ATOM 756 CB TYR A 94 -0.217 2.440 3.659 1.00 0.00 C ATOM 757 CG TYR A 94 -0.062 1.127 2.912 1.00 0.00 C ATOM 758 CD1 TYR A 94 -0.270 1.032 1.527 1.00 0.00 C ATOM 759 CD2 TYR A 94 0.222 -0.039 3.637 1.00 0.00 C ATOM 760 CE1 TYR A 94 -0.250 -0.215 0.886 1.00 0.00 C ATOM 761 CE2 TYR A 94 0.217 -1.296 3.010 1.00 0.00 C ATOM 762 CZ TYR A 94 -0.030 -1.388 1.630 1.00 0.00 C ATOM 763 OH TYR A 94 -0.045 -2.599 1.021 1.00 0.00 O ATOM 0 H TYR A 94 -0.819 4.284 5.217 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.242 2.956 3.208 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.125 3.255 3.021 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.430 2.429 4.536 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.447 1.928 0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.447 0.030 4.691 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.404 -0.275 -0.181 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.403 -2.190 3.587 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.223 -2.482 0.064 1.00 0.00 H new ATOM 773 N ARG A 95 -1.970 1.302 6.075 1.00 0.00 N ATOM 774 CA ARG A 95 -2.478 0.186 6.871 1.00 0.00 C ATOM 775 C ARG A 95 -4.002 0.167 6.912 1.00 0.00 C ATOM 776 O ARG A 95 -4.573 -0.920 6.834 1.00 0.00 O ATOM 777 CB ARG A 95 -1.886 0.219 8.292 1.00 0.00 C ATOM 778 CG ARG A 95 -0.356 0.035 8.340 1.00 0.00 C ATOM 779 CD ARG A 95 0.141 -1.276 7.721 1.00 0.00 C ATOM 780 NE ARG A 95 -0.298 -2.422 8.523 1.00 0.00 N ATOM 781 CZ ARG A 95 0.272 -2.800 9.672 1.00 0.00 C ATOM 782 NH1 ARG A 95 1.424 -2.265 10.084 1.00 0.00 N ATOM 783 NH2 ARG A 95 -0.346 -3.705 10.410 1.00 0.00 N ATOM 0 H ARG A 95 -1.343 1.918 6.593 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.158 -0.737 6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.142 1.170 8.759 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.354 -0.564 8.888 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.115 0.870 7.821 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.029 0.080 9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.237 -1.371 6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.229 -1.265 7.657 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.090 -2.967 8.182 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.887 -1.553 9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.841 -2.568 10.964 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.235 -4.097 10.098 1.00 0.00 H new ATOM 0 HH22 ARG A 95 0.066 -4.012 11.291 1.00 0.00 H new ATOM 797 N HIS A 96 -4.644 1.331 7.019 1.00 0.00 N ATOM 798 CA HIS A 96 -6.096 1.452 7.051 1.00 0.00 C ATOM 799 C HIS A 96 -6.675 0.942 5.742 1.00 0.00 C ATOM 800 O HIS A 96 -7.549 0.083 5.741 1.00 0.00 O ATOM 801 CB HIS A 96 -6.482 2.931 7.276 1.00 0.00 C ATOM 802 CG HIS A 96 -7.894 3.314 6.897 1.00 0.00 C ATOM 803 ND1 HIS A 96 -9.046 2.884 7.502 1.00 0.00 N ATOM 804 CD2 HIS A 96 -8.264 4.117 5.850 1.00 0.00 C ATOM 805 CE1 HIS A 96 -10.079 3.450 6.866 1.00 0.00 C ATOM 806 NE2 HIS A 96 -9.663 4.204 5.828 1.00 0.00 N ATOM 0 H HIS A 96 -4.160 2.227 7.087 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.501 0.855 7.868 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -6.333 3.168 8.329 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.793 3.556 6.708 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.591 4.601 5.158 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -11.113 3.320 7.148 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.242 4.725 5.169 1.00 0.00 H new ATOM 814 N LYS A 97 -6.176 1.462 4.621 1.00 0.00 N ATOM 815 CA LYS A 97 -6.648 1.099 3.297 1.00 0.00 C ATOM 816 C LYS A 97 -6.633 -0.401 3.066 1.00 0.00 C ATOM 817 O LYS A 97 -7.592 -0.879 2.481 1.00 0.00 O ATOM 818 CB LYS A 97 -5.796 1.790 2.244 1.00 0.00 C ATOM 819 CG LYS A 97 -5.867 3.326 2.230 1.00 0.00 C ATOM 820 CD LYS A 97 -7.285 3.892 2.079 1.00 0.00 C ATOM 821 CE LYS A 97 -7.885 3.502 0.726 1.00 0.00 C ATOM 822 NZ LYS A 97 -9.112 4.253 0.394 1.00 0.00 N ATOM 0 H LYS A 97 -5.426 2.153 4.613 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.684 1.428 3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.757 1.494 2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.095 1.422 1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.433 3.706 3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.251 3.699 1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.918 3.518 2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.260 4.978 2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.143 3.669 -0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.110 2.435 0.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.234 4.280 -0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.933 3.785 0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.034 5.224 0.759 1.00 0.00 H new ATOM 836 N VAL A 98 -5.599 -1.134 3.485 1.00 0.00 N ATOM 837 CA VAL A 98 -5.533 -2.587 3.290 1.00 0.00 C ATOM 838 C VAL A 98 -6.807 -3.216 3.847 1.00 0.00 C ATOM 839 O VAL A 98 -7.585 -3.816 3.109 1.00 0.00 O ATOM 840 CB VAL A 98 -4.277 -3.160 3.970 1.00 0.00 C ATOM 841 CG1 VAL A 98 -4.241 -4.703 3.930 1.00 0.00 C ATOM 842 CG2 VAL A 98 -3.008 -2.625 3.299 1.00 0.00 C ATOM 0 H VAL A 98 -4.789 -0.742 3.966 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.461 -2.819 2.228 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.318 -2.841 5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.336 -5.059 4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.115 -5.101 4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.247 -5.040 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.131 -3.042 3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.003 -2.914 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.986 -1.538 3.377 1.00 0.00 H new ATOM 852 N SER A 99 -7.012 -3.043 5.145 1.00 0.00 N ATOM 853 CA SER A 99 -8.135 -3.539 5.904 1.00 0.00 C ATOM 854 C SER A 99 -9.458 -3.133 5.246 1.00 0.00 C ATOM 855 O SER A 99 -10.362 -3.957 5.113 1.00 0.00 O ATOM 856 CB SER A 99 -7.952 -2.958 7.308 1.00 0.00 C ATOM 857 OG SER A 99 -6.641 -3.246 7.781 1.00 0.00 O ATOM 0 H SER A 99 -6.355 -2.520 5.725 1.00 0.00 H new ATOM 0 HA SER A 99 -8.173 -4.628 5.946 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.113 -1.880 7.290 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.694 -3.380 7.986 1.00 0.00 H new ATOM 0 HG SER A 99 -6.528 -2.871 8.679 1.00 0.00 H new ATOM 863 N GLU A 100 -9.551 -1.898 4.770 1.00 0.00 N ATOM 864 CA GLU A 100 -10.723 -1.346 4.120 1.00 0.00 C ATOM 865 C GLU A 100 -11.015 -2.005 2.777 1.00 0.00 C ATOM 866 O GLU A 100 -12.161 -2.387 2.529 1.00 0.00 O ATOM 867 CB GLU A 100 -10.497 0.158 3.968 1.00 0.00 C ATOM 868 CG GLU A 100 -11.478 0.952 4.829 1.00 0.00 C ATOM 869 CD GLU A 100 -11.595 0.449 6.286 1.00 0.00 C ATOM 870 OE1 GLU A 100 -10.655 0.597 7.087 1.00 0.00 O ATOM 871 OE2 GLU A 100 -12.678 -0.057 6.657 1.00 0.00 O ATOM 0 H GLU A 100 -8.781 -1.232 4.830 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.603 -1.543 4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.475 0.406 4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.614 0.442 2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.169 1.997 4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.463 0.916 4.364 1.00 0.00 H new ATOM 878 N PHE A 101 -10.009 -2.151 1.910 1.00 0.00 N ATOM 879 CA PHE A 101 -10.200 -2.787 0.618 1.00 0.00 C ATOM 880 C PHE A 101 -10.585 -4.249 0.788 1.00 0.00 C ATOM 881 O PHE A 101 -11.307 -4.799 -0.041 1.00 0.00 O ATOM 882 CB PHE A 101 -8.938 -2.692 -0.243 1.00 0.00 C ATOM 883 CG PHE A 101 -8.913 -1.472 -1.126 1.00 0.00 C ATOM 884 CD1 PHE A 101 -9.566 -1.496 -2.371 1.00 0.00 C ATOM 885 CD2 PHE A 101 -8.219 -0.325 -0.718 1.00 0.00 C ATOM 886 CE1 PHE A 101 -9.519 -0.368 -3.209 1.00 0.00 C ATOM 887 CE2 PHE A 101 -8.141 0.781 -1.571 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.796 0.768 -2.813 1.00 0.00 C ATOM 0 H PHE A 101 -9.056 -1.835 2.086 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.008 -2.257 0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.063 -2.680 0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.862 -3.584 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.103 -2.380 -2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.746 -0.295 0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.038 -0.376 -4.156 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.574 1.650 -1.272 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.744 1.630 -3.462 1.00 0.00 H new ATOM 898 N LYS A 102 -10.085 -4.885 1.849 1.00 0.00 N ATOM 899 CA LYS A 102 -10.395 -6.277 2.151 1.00 0.00 C ATOM 900 C LYS A 102 -11.867 -6.384 2.499 1.00 0.00 C ATOM 901 O LYS A 102 -12.531 -7.333 2.091 1.00 0.00 O ATOM 902 CB LYS A 102 -9.541 -6.751 3.322 1.00 0.00 C ATOM 903 CG LYS A 102 -8.144 -7.078 2.827 1.00 0.00 C ATOM 904 CD LYS A 102 -7.172 -7.438 3.942 1.00 0.00 C ATOM 905 CE LYS A 102 -6.878 -8.928 4.121 1.00 0.00 C ATOM 906 NZ LYS A 102 -6.527 -9.620 2.862 1.00 0.00 N ATOM 0 H LYS A 102 -9.455 -4.447 2.521 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.178 -6.904 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.495 -5.978 4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.991 -7.631 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.202 -7.909 2.124 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.753 -6.222 2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.230 -6.922 3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.568 -7.051 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.059 -9.045 4.830 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.751 -9.411 4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.291 -10.275 2.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.399 -8.919 2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.644 -10.153 2.993 1.00 0.00 H new ATOM 920 N GLU A 103 -12.377 -5.416 3.256 1.00 0.00 N ATOM 921 CA GLU A 103 -13.780 -5.401 3.632 1.00 0.00 C ATOM 922 C GLU A 103 -14.650 -5.033 2.421 1.00 0.00 C ATOM 923 O GLU A 103 -15.863 -5.245 2.425 1.00 0.00 O ATOM 924 CB GLU A 103 -14.011 -4.335 4.703 1.00 0.00 C ATOM 925 CG GLU A 103 -13.236 -4.566 6.005 1.00 0.00 C ATOM 926 CD GLU A 103 -14.143 -4.749 7.218 1.00 0.00 C ATOM 927 OE1 GLU A 103 -15.139 -5.497 7.132 1.00 0.00 O ATOM 928 OE2 GLU A 103 -13.878 -4.109 8.262 1.00 0.00 O ATOM 0 H GLU A 103 -11.835 -4.632 3.620 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.045 -6.391 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.732 -3.363 4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.076 -4.292 4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.606 -5.448 5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.572 -3.720 6.180 1.00 0.00 H new ATOM 935 N GLY A 104 -14.034 -4.453 1.386 1.00 0.00 N ATOM 936 CA GLY A 104 -14.678 -4.021 0.158 1.00 0.00 C ATOM 937 C GLY A 104 -15.646 -2.874 0.422 1.00 0.00 C ATOM 938 O GLY A 104 -16.689 -2.806 -0.228 1.00 0.00 O ATOM 0 H GLY A 104 -13.031 -4.267 1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.922 -3.705 -0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.214 -4.858 -0.289 1.00 0.00 H new ATOM 942 N LYS A 105 -15.350 -2.011 1.403 1.00 0.00 N ATOM 943 CA LYS A 105 -16.215 -0.881 1.752 1.00 0.00 C ATOM 944 C LYS A 105 -15.663 0.466 1.304 1.00 0.00 C ATOM 945 O LYS A 105 -16.439 1.422 1.228 1.00 0.00 O ATOM 946 CB LYS A 105 -16.484 -0.870 3.268 1.00 0.00 C ATOM 947 CG LYS A 105 -15.361 -0.212 4.086 1.00 0.00 C ATOM 948 CD LYS A 105 -15.594 -0.254 5.594 1.00 0.00 C ATOM 949 CE LYS A 105 -15.164 -1.607 6.173 1.00 0.00 C ATOM 950 NZ LYS A 105 -14.877 -1.549 7.618 1.00 0.00 N ATOM 0 H LYS A 105 -14.507 -2.078 1.974 1.00 0.00 H new ATOM 0 HA LYS A 105 -17.149 -1.025 1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -17.419 -0.343 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.620 -1.895 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.419 -0.710 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.256 0.827 3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.034 0.547 6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.648 -0.080 5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.951 -2.340 5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.277 -1.956 5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.559 -2.483 7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.131 -0.847 7.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.739 -1.276 8.132 1.00 0.00 H new ATOM 964 N ALA A 106 -14.343 0.581 1.137 1.00 0.00 N ATOM 965 CA ALA A 106 -13.709 1.821 0.736 1.00 0.00 C ATOM 966 C ALA A 106 -14.089 2.195 -0.688 1.00 0.00 C ATOM 967 O ALA A 106 -14.528 1.382 -1.500 1.00 0.00 O ATOM 968 CB ALA A 106 -12.191 1.712 0.882 1.00 0.00 C ATOM 0 H ALA A 106 -13.690 -0.190 1.279 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.065 2.614 1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.728 2.650 0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -11.940 1.504 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.822 0.904 0.251 1.00 0.00 H new ATOM 974 N GLN A 107 -13.850 3.466 -0.960 1.00 0.00 N ATOM 975 CA GLN A 107 -14.093 4.178 -2.187 1.00 0.00 C ATOM 976 C GLN A 107 -12.752 4.352 -2.911 1.00 0.00 C ATOM 977 O GLN A 107 -11.915 5.168 -2.519 1.00 0.00 O ATOM 978 CB GLN A 107 -14.852 5.480 -1.849 1.00 0.00 C ATOM 979 CG GLN A 107 -14.234 6.448 -0.810 1.00 0.00 C ATOM 980 CD GLN A 107 -14.231 6.008 0.655 1.00 0.00 C ATOM 981 OE1 GLN A 107 -13.336 5.283 1.095 1.00 0.00 O ATOM 982 NE2 GLN A 107 -15.160 6.487 1.459 1.00 0.00 N ATOM 0 H GLN A 107 -13.441 4.078 -0.254 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.735 3.641 -2.885 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.989 6.034 -2.778 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -15.844 5.202 -1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.203 6.643 -1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.768 7.396 -0.875 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.897 7.086 1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.142 6.258 2.453 1.00 0.00 H new