USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 925 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 HIS : no HD1:sc= -0.0136 X(o=1.1,f=1.2) USER MOD Set 1.2: A 109 HIS : no HE2:sc= 1.15 K(o=1.1,f=-4.1!) USER MOD Set 2.1: A 99 HIS :FLIP no HE2:sc= -0.395 F(o=-1.1,f=-0.39) USER MOD Set 2.2: A 101 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 27 HIS :FLIP no HD1:sc= -0.521 F(o=-1.8!,f=-0.52) USER MOD Set 3.2: A 70 LYS NZ :NH3+ 179:sc= 0 (180deg=0) USER MOD Set 4.1: A 62 THR OG1 : rot 67:sc= 0.399 USER MOD Set 4.2: A 63 HIS : no HD1:sc= 0.354 K(o=0.75,f=-1.2) USER MOD Set 5.1: A 30 SER OG : rot -115:sc= 0.395 USER MOD Set 5.2: A 33 LYS NZ :NH3+ -116:sc= 0.379 (180deg=-0.27) USER MOD Set 5.3: A 34 HIS : no HD1:sc= -0.526 X(o=0.62,f=0.48) USER MOD Set 5.4: A 59 TYR OH : rot 130:sc= 0.374 USER MOD Set 6.1: A 53 GLN : amide:sc= 1.05 K(o=2.2,f=-12!) USER MOD Set 6.2: A 95 LYS NZ :NH3+ 149:sc= 1.16 (180deg=0) USER MOD Set 7.1: A 32 TYR OH : rot 150:sc= 0.984 USER MOD Set 7.2: A 36 LYS NZ :NH3+ 179:sc= 1.3 (180deg=0.0463) USER MOD Set 8.1: A 21 SER OG : rot 180:sc= 1.09 USER MOD Set 8.2: A 24 THR OG1 : rot 84:sc= 1.22 USER MOD Set 9.1: A 1 MET N :NH3+ -153:sc= 1.33 (180deg=0.325) USER MOD Set 9.2: A 87 TYR OH : rot 130:sc= 0 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.0666 (180deg=-0.516) USER MOD Single : A 3 THR OG1 : rot 124:sc= 1.39 USER MOD Single : A 7 TYR OH : rot -173:sc= -0.535 USER MOD Single : A 9 TYR OH : rot -147:sc= 0.146 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -1.5! USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.878 F(o=-2.1!,f=-0.88) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0645) USER MOD Single : A 28 TYR OH : rot 84:sc= -0.675 USER MOD Single : A 38 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0.015) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.00018) USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= 1.28 (180deg=1.07) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.053) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 52 TYR OH : rot -130:sc= -0.0128 USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -0.0716 (180deg=-0.354) USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 73 SER OG : rot 74:sc= 1.21 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.437 USER MOD Single : A 77 ASN :FLIP amide:sc= -0.188 F(o=-1.7!,f=-0.19) USER MOD Single : A 84 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.87! C(o=-1.9!,f=-3.7!) USER MOD Single : A 93 THR OG1 : rot 170:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.018 X(o=-0.018,f=-0.0006) USER MOD Single : A 106 HIS : no HD1:sc= 0.249 K(o=0.25,f=-1.4) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 110 HIS : no HD1:sc= -0.0346 X(o=-0.035,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.860 9.990 14.749 1.00 15.23 N ATOM 2 CA MET A 1 3.383 9.588 13.426 1.00 30.44 C ATOM 3 C MET A 1 4.006 8.203 13.511 1.00 61.02 C ATOM 4 O MET A 1 4.698 7.882 14.476 1.00 43.43 O ATOM 5 CB MET A 1 4.417 10.599 12.901 1.00 55.31 C ATOM 6 CG MET A 1 5.703 10.669 13.716 1.00 62.15 C ATOM 7 SD MET A 1 5.474 11.420 15.339 1.00 34.41 S ATOM 8 CE MET A 1 5.102 13.110 14.880 1.00 51.23 C ATOM 0 H1 MET A 1 2.076 10.661 14.623 1.00 15.23 H new ATOM 0 H2 MET A 1 2.518 9.149 15.257 1.00 15.23 H new ATOM 0 H3 MET A 1 3.618 10.442 15.299 1.00 15.23 H new ATOM 0 HA MET A 1 2.547 9.567 12.726 1.00 30.44 H new ATOM 0 HB2 MET A 1 4.668 10.342 11.872 1.00 55.31 H new ATOM 0 HB3 MET A 1 3.961 11.589 12.880 1.00 55.31 H new ATOM 0 HG2 MET A 1 6.101 9.662 13.841 1.00 62.15 H new ATOM 0 HG3 MET A 1 6.447 11.239 13.160 1.00 62.15 H new ATOM 0 HE1 MET A 1 5.282 13.766 15.731 1.00 51.23 H new ATOM 0 HE2 MET A 1 5.740 13.410 14.049 1.00 51.23 H new ATOM 0 HE3 MET A 1 4.057 13.184 14.580 1.00 51.23 H new ATOM 20 N ILE A 2 3.748 7.388 12.502 1.00 2.53 N ATOM 21 CA ILE A 2 4.253 6.025 12.461 1.00 75.33 C ATOM 22 C ILE A 2 4.819 5.735 11.073 1.00 14.12 C ATOM 23 O ILE A 2 4.524 6.462 10.119 1.00 24.11 O ATOM 24 CB ILE A 2 3.125 5.014 12.807 1.00 13.44 C ATOM 25 CG1 ILE A 2 3.674 3.588 12.925 1.00 4.33 C ATOM 26 CG2 ILE A 2 2.015 5.072 11.766 1.00 73.22 C ATOM 27 CD1 ILE A 2 2.633 2.559 13.313 1.00 20.41 C ATOM 0 H ILE A 2 3.186 7.650 11.692 1.00 2.53 H new ATOM 0 HA ILE A 2 5.044 5.916 13.203 1.00 75.33 H new ATOM 0 HB ILE A 2 2.710 5.296 13.775 1.00 13.44 H new ATOM 0 HG12 ILE A 2 4.117 3.300 11.972 1.00 4.33 H new ATOM 0 HG13 ILE A 2 4.474 3.578 13.665 1.00 4.33 H new ATOM 0 HG21 ILE A 2 1.235 4.357 12.026 1.00 73.22 H new ATOM 0 HG22 ILE A 2 1.593 6.077 11.740 1.00 73.22 H new ATOM 0 HG23 ILE A 2 2.422 4.824 10.786 1.00 73.22 H new ATOM 0 HD11 ILE A 2 3.099 1.576 13.376 1.00 20.41 H new ATOM 0 HD12 ILE A 2 2.206 2.821 14.281 1.00 20.41 H new ATOM 0 HD13 ILE A 2 1.844 2.539 12.562 1.00 20.41 H new ATOM 39 N THR A 3 5.650 4.707 10.967 1.00 72.20 N ATOM 40 CA THR A 3 6.191 4.277 9.690 1.00 74.32 C ATOM 41 C THR A 3 5.082 3.730 8.793 1.00 32.21 C ATOM 42 O THR A 3 4.248 2.944 9.239 1.00 11.31 O ATOM 43 CB THR A 3 7.271 3.202 9.912 1.00 3.52 C ATOM 44 OG1 THR A 3 6.942 2.428 11.074 1.00 52.30 O ATOM 45 CG2 THR A 3 8.641 3.834 10.093 1.00 74.23 C ATOM 0 H THR A 3 5.966 4.151 11.762 1.00 72.20 H new ATOM 0 HA THR A 3 6.641 5.138 9.196 1.00 74.32 H new ATOM 0 HB THR A 3 7.304 2.559 9.033 1.00 3.52 H new ATOM 0 HG1 THR A 3 6.896 1.479 10.833 1.00 52.30 H new ATOM 0 HG21 THR A 3 9.385 3.052 10.248 1.00 74.23 H new ATOM 0 HG22 THR A 3 8.898 4.408 9.202 1.00 74.23 H new ATOM 0 HG23 THR A 3 8.625 4.496 10.959 1.00 74.23 H new ATOM 53 N PHE A 4 5.078 4.152 7.533 1.00 4.14 N ATOM 54 CA PHE A 4 4.021 3.776 6.598 1.00 70.43 C ATOM 55 C PHE A 4 3.979 2.267 6.382 1.00 3.21 C ATOM 56 O PHE A 4 2.906 1.687 6.245 1.00 71.33 O ATOM 57 CB PHE A 4 4.208 4.496 5.260 1.00 40.41 C ATOM 58 CG PHE A 4 3.199 4.107 4.212 1.00 3.33 C ATOM 59 CD1 PHE A 4 1.840 4.174 4.476 1.00 32.21 C ATOM 60 CD2 PHE A 4 3.611 3.660 2.967 1.00 60.13 C ATOM 61 CE1 PHE A 4 0.913 3.808 3.519 1.00 22.33 C ATOM 62 CE2 PHE A 4 2.689 3.293 2.005 1.00 51.44 C ATOM 63 CZ PHE A 4 1.338 3.366 2.283 1.00 34.12 C ATOM 0 H PHE A 4 5.796 4.756 7.134 1.00 4.14 H new ATOM 0 HA PHE A 4 3.070 4.080 7.034 1.00 70.43 H new ATOM 0 HB2 PHE A 4 4.149 5.572 5.426 1.00 40.41 H new ATOM 0 HB3 PHE A 4 5.209 4.286 4.882 1.00 40.41 H new ATOM 0 HD1 PHE A 4 1.501 4.517 5.442 1.00 32.21 H new ATOM 0 HD2 PHE A 4 4.666 3.598 2.745 1.00 60.13 H new ATOM 0 HE1 PHE A 4 -0.143 3.868 3.738 1.00 22.33 H new ATOM 0 HE2 PHE A 4 3.024 2.950 1.037 1.00 51.44 H new ATOM 0 HZ PHE A 4 0.615 3.078 1.534 1.00 34.12 H new ATOM 73 N ALA A 5 5.146 1.641 6.365 1.00 43.13 N ATOM 74 CA ALA A 5 5.233 0.198 6.189 1.00 25.33 C ATOM 75 C ALA A 5 4.461 -0.524 7.289 1.00 71.34 C ATOM 76 O ALA A 5 3.587 -1.349 7.014 1.00 1.11 O ATOM 77 CB ALA A 5 6.687 -0.242 6.181 1.00 33.44 C ATOM 0 H ALA A 5 6.046 2.109 6.471 1.00 43.13 H new ATOM 0 HA ALA A 5 4.785 -0.063 5.230 1.00 25.33 H new ATOM 0 HB1 ALA A 5 6.739 -1.323 6.049 1.00 33.44 H new ATOM 0 HB2 ALA A 5 7.211 0.250 5.362 1.00 33.44 H new ATOM 0 HB3 ALA A 5 7.155 0.031 7.127 1.00 33.44 H new ATOM 83 N ASP A 6 4.774 -0.182 8.534 1.00 44.33 N ATOM 84 CA ASP A 6 4.124 -0.789 9.690 1.00 31.24 C ATOM 85 C ASP A 6 2.660 -0.388 9.753 1.00 0.20 C ATOM 86 O ASP A 6 1.796 -1.199 10.091 1.00 30.14 O ATOM 87 CB ASP A 6 4.834 -0.378 10.983 1.00 2.31 C ATOM 88 CG ASP A 6 6.260 -0.880 11.046 1.00 52.41 C ATOM 89 OD1 ASP A 6 6.473 -2.011 11.530 1.00 40.02 O ATOM 90 OD2 ASP A 6 7.175 -0.145 10.609 1.00 61.31 O ATOM 0 H ASP A 6 5.479 0.517 8.769 1.00 44.33 H new ATOM 0 HA ASP A 6 4.186 -1.872 9.584 1.00 31.24 H new ATOM 0 HB2 ASP A 6 4.831 0.709 11.066 1.00 2.31 H new ATOM 0 HB3 ASP A 6 4.278 -0.764 11.837 1.00 2.31 H new ATOM 95 N TYR A 7 2.389 0.868 9.418 1.00 43.32 N ATOM 96 CA TYR A 7 1.028 1.387 9.405 1.00 55.43 C ATOM 97 C TYR A 7 0.154 0.603 8.431 1.00 51.24 C ATOM 98 O TYR A 7 -0.949 0.186 8.779 1.00 63.53 O ATOM 99 CB TYR A 7 1.027 2.873 9.029 1.00 13.51 C ATOM 100 CG TYR A 7 -0.360 3.465 8.909 1.00 13.30 C ATOM 101 CD1 TYR A 7 -1.065 3.864 10.038 1.00 40.14 C ATOM 102 CD2 TYR A 7 -0.968 3.617 7.668 1.00 14.30 C ATOM 103 CE1 TYR A 7 -2.335 4.397 9.934 1.00 55.11 C ATOM 104 CE2 TYR A 7 -2.240 4.148 7.557 1.00 73.41 C ATOM 105 CZ TYR A 7 -2.917 4.537 8.693 1.00 63.13 C ATOM 106 OH TYR A 7 -4.185 5.062 8.587 1.00 12.31 O ATOM 0 H TYR A 7 3.099 1.549 9.150 1.00 43.32 H new ATOM 0 HA TYR A 7 0.615 1.273 10.407 1.00 55.43 H new ATOM 0 HB2 TYR A 7 1.587 3.430 9.780 1.00 13.51 H new ATOM 0 HB3 TYR A 7 1.551 3.000 8.082 1.00 13.51 H new ATOM 0 HD1 TYR A 7 -0.613 3.756 11.013 1.00 40.14 H new ATOM 0 HD2 TYR A 7 -0.438 3.316 6.776 1.00 14.30 H new ATOM 0 HE1 TYR A 7 -2.869 4.703 10.821 1.00 55.11 H new ATOM 0 HE2 TYR A 7 -2.700 4.257 6.586 1.00 73.41 H new ATOM 0 HH TYR A 7 -4.494 4.986 7.660 1.00 12.31 H new ATOM 116 N PHE A 8 0.661 0.402 7.217 1.00 22.32 N ATOM 117 CA PHE A 8 -0.084 -0.291 6.171 1.00 71.21 C ATOM 118 C PHE A 8 -0.455 -1.704 6.608 1.00 2.31 C ATOM 119 O PHE A 8 -1.611 -2.115 6.494 1.00 13.22 O ATOM 120 CB PHE A 8 0.741 -0.338 4.880 1.00 32.23 C ATOM 121 CG PHE A 8 0.060 -1.053 3.744 1.00 31.14 C ATOM 122 CD1 PHE A 8 -0.928 -0.424 3.002 1.00 0.52 C ATOM 123 CD2 PHE A 8 0.412 -2.351 3.419 1.00 72.14 C ATOM 124 CE1 PHE A 8 -1.549 -1.079 1.954 1.00 24.22 C ATOM 125 CE2 PHE A 8 -0.205 -3.012 2.374 1.00 12.15 C ATOM 126 CZ PHE A 8 -1.187 -2.375 1.641 1.00 1.40 C ATOM 0 H PHE A 8 1.590 0.712 6.933 1.00 22.32 H new ATOM 0 HA PHE A 8 -1.006 0.261 5.987 1.00 71.21 H new ATOM 0 HB2 PHE A 8 0.969 0.682 4.569 1.00 32.23 H new ATOM 0 HB3 PHE A 8 1.692 -0.829 5.086 1.00 32.23 H new ATOM 0 HD1 PHE A 8 -1.216 0.588 3.245 1.00 0.52 H new ATOM 0 HD2 PHE A 8 1.179 -2.854 3.989 1.00 72.14 H new ATOM 0 HE1 PHE A 8 -2.316 -0.578 1.381 1.00 24.22 H new ATOM 0 HE2 PHE A 8 0.080 -4.025 2.131 1.00 12.15 H new ATOM 0 HZ PHE A 8 -1.671 -2.889 0.824 1.00 1.40 H new ATOM 136 N TYR A 9 0.525 -2.442 7.119 1.00 61.10 N ATOM 137 CA TYR A 9 0.285 -3.813 7.545 1.00 14.23 C ATOM 138 C TYR A 9 -0.652 -3.855 8.747 1.00 2.32 C ATOM 139 O TYR A 9 -1.555 -4.688 8.804 1.00 2.53 O ATOM 140 CB TYR A 9 1.595 -4.534 7.872 1.00 21.53 C ATOM 141 CG TYR A 9 1.385 -6.000 8.182 1.00 43.54 C ATOM 142 CD1 TYR A 9 1.271 -6.935 7.159 1.00 61.02 C ATOM 143 CD2 TYR A 9 1.265 -6.443 9.492 1.00 60.24 C ATOM 144 CE1 TYR A 9 1.048 -8.270 7.434 1.00 44.14 C ATOM 145 CE2 TYR A 9 1.034 -7.773 9.775 1.00 30.21 C ATOM 146 CZ TYR A 9 0.928 -8.683 8.743 1.00 31.10 C ATOM 147 OH TYR A 9 0.681 -10.009 9.025 1.00 61.33 O ATOM 0 H TYR A 9 1.483 -2.117 7.247 1.00 61.10 H new ATOM 0 HA TYR A 9 -0.191 -4.333 6.713 1.00 14.23 H new ATOM 0 HB2 TYR A 9 2.279 -4.438 7.029 1.00 21.53 H new ATOM 0 HB3 TYR A 9 2.070 -4.050 8.725 1.00 21.53 H new ATOM 0 HD1 TYR A 9 1.358 -6.612 6.132 1.00 61.02 H new ATOM 0 HD2 TYR A 9 1.354 -5.735 10.303 1.00 60.24 H new ATOM 0 HE1 TYR A 9 0.968 -8.985 6.629 1.00 44.14 H new ATOM 0 HE2 TYR A 9 0.937 -8.101 10.799 1.00 30.21 H new ATOM 0 HH TYR A 9 0.136 -10.075 9.837 1.00 61.33 H new ATOM 157 N GLN A 10 -0.438 -2.954 9.698 1.00 31.54 N ATOM 158 CA GLN A 10 -1.276 -2.891 10.888 1.00 63.32 C ATOM 159 C GLN A 10 -2.716 -2.573 10.503 1.00 31.35 C ATOM 160 O GLN A 10 -3.649 -3.228 10.965 1.00 41.24 O ATOM 161 CB GLN A 10 -0.740 -1.840 11.859 1.00 20.42 C ATOM 162 CG GLN A 10 -1.471 -1.814 13.189 1.00 54.14 C ATOM 163 CD GLN A 10 -0.901 -0.777 14.130 1.00 74.20 C ATOM 164 OE1 GLN A 10 0.027 -1.058 14.889 1.00 62.11 O ATOM 165 NE2 GLN A 10 -1.456 0.425 14.094 1.00 53.11 N ATOM 0 H GLN A 10 0.307 -2.258 9.668 1.00 31.54 H new ATOM 0 HA GLN A 10 -1.255 -3.862 11.382 1.00 63.32 H new ATOM 0 HB2 GLN A 10 0.318 -2.030 12.039 1.00 20.42 H new ATOM 0 HB3 GLN A 10 -0.813 -0.857 11.394 1.00 20.42 H new ATOM 0 HG2 GLN A 10 -2.527 -1.606 13.018 1.00 54.14 H new ATOM 0 HG3 GLN A 10 -1.411 -2.798 13.655 1.00 54.14 H new ATOM 0 HE21 GLN A 10 -2.223 0.613 13.449 1.00 53.11 H new ATOM 0 HE22 GLN A 10 -1.116 1.162 14.711 1.00 53.11 H new ATOM 174 N TRP A 11 -2.881 -1.579 9.635 1.00 1.43 N ATOM 175 CA TRP A 11 -4.194 -1.209 9.115 1.00 31.51 C ATOM 176 C TRP A 11 -4.875 -2.423 8.495 1.00 70.13 C ATOM 177 O TRP A 11 -6.049 -2.694 8.751 1.00 22.14 O ATOM 178 CB TRP A 11 -4.044 -0.089 8.076 1.00 21.20 C ATOM 179 CG TRP A 11 -5.294 0.190 7.299 1.00 42.43 C ATOM 180 CD1 TRP A 11 -6.352 0.956 7.690 1.00 41.15 C ATOM 181 CD2 TRP A 11 -5.609 -0.298 5.989 1.00 53.25 C ATOM 182 NE1 TRP A 11 -7.310 0.972 6.705 1.00 2.05 N ATOM 183 CE2 TRP A 11 -6.876 0.208 5.651 1.00 3.01 C ATOM 184 CE3 TRP A 11 -4.942 -1.114 5.071 1.00 41.44 C ATOM 185 CZ2 TRP A 11 -7.488 -0.079 4.434 1.00 73.10 C ATOM 186 CZ3 TRP A 11 -5.550 -1.397 3.864 1.00 22.34 C ATOM 187 CH2 TRP A 11 -6.812 -0.880 3.555 1.00 23.52 C ATOM 0 H TRP A 11 -2.115 -1.011 9.274 1.00 1.43 H new ATOM 0 HA TRP A 11 -4.814 -0.848 9.935 1.00 31.51 H new ATOM 0 HB2 TRP A 11 -3.732 0.824 8.583 1.00 21.20 H new ATOM 0 HB3 TRP A 11 -3.248 -0.356 7.381 1.00 21.20 H new ATOM 0 HD1 TRP A 11 -6.426 1.474 8.635 1.00 41.15 H new ATOM 0 HE1 TRP A 11 -8.199 1.470 6.750 1.00 2.05 H new ATOM 0 HE3 TRP A 11 -3.967 -1.517 5.302 1.00 41.44 H new ATOM 0 HZ2 TRP A 11 -8.463 0.317 4.192 1.00 73.10 H new ATOM 0 HZ3 TRP A 11 -5.043 -2.027 3.148 1.00 22.34 H new ATOM 0 HH2 TRP A 11 -7.262 -1.118 2.603 1.00 23.52 H new ATOM 198 N TYR A 12 -4.120 -3.151 7.688 1.00 71.35 N ATOM 199 CA TYR A 12 -4.608 -4.368 7.061 1.00 74.24 C ATOM 200 C TYR A 12 -5.026 -5.403 8.108 1.00 45.25 C ATOM 201 O TYR A 12 -6.133 -5.945 8.048 1.00 65.31 O ATOM 202 CB TYR A 12 -3.524 -4.940 6.138 1.00 21.34 C ATOM 203 CG TYR A 12 -3.632 -6.428 5.906 1.00 44.43 C ATOM 204 CD1 TYR A 12 -4.717 -6.975 5.235 1.00 41.54 C ATOM 205 CD2 TYR A 12 -2.643 -7.288 6.366 1.00 23.05 C ATOM 206 CE1 TYR A 12 -4.816 -8.334 5.031 1.00 5.21 C ATOM 207 CE2 TYR A 12 -2.733 -8.648 6.164 1.00 63.41 C ATOM 208 CZ TYR A 12 -3.820 -9.166 5.499 1.00 12.12 C ATOM 209 OH TYR A 12 -3.908 -10.519 5.299 1.00 30.54 O ATOM 0 H TYR A 12 -3.156 -2.916 7.450 1.00 71.35 H new ATOM 0 HA TYR A 12 -5.491 -4.125 6.471 1.00 74.24 H new ATOM 0 HB2 TYR A 12 -3.574 -4.429 5.177 1.00 21.34 H new ATOM 0 HB3 TYR A 12 -2.546 -4.720 6.565 1.00 21.34 H new ATOM 0 HD1 TYR A 12 -5.497 -6.325 4.867 1.00 41.54 H new ATOM 0 HD2 TYR A 12 -1.790 -6.884 6.890 1.00 23.05 H new ATOM 0 HE1 TYR A 12 -5.667 -8.745 4.508 1.00 5.21 H new ATOM 0 HE2 TYR A 12 -1.955 -9.303 6.526 1.00 63.41 H new ATOM 0 HH TYR A 12 -3.124 -10.959 5.690 1.00 30.54 H new ATOM 219 N GLU A 13 -4.153 -5.641 9.078 1.00 60.23 N ATOM 220 CA GLU A 13 -4.364 -6.692 10.069 1.00 11.44 C ATOM 221 C GLU A 13 -5.507 -6.332 11.026 1.00 13.34 C ATOM 222 O GLU A 13 -5.967 -7.164 11.809 1.00 74.51 O ATOM 223 CB GLU A 13 -3.056 -6.946 10.835 1.00 60.11 C ATOM 224 CG GLU A 13 -3.067 -8.205 11.685 1.00 32.13 C ATOM 225 CD GLU A 13 -1.696 -8.568 12.218 1.00 71.42 C ATOM 226 OE1 GLU A 13 -1.309 -8.041 13.284 1.00 72.23 O ATOM 227 OE2 GLU A 13 -0.999 -9.388 11.577 1.00 14.44 O ATOM 0 H GLU A 13 -3.286 -5.118 9.201 1.00 60.23 H new ATOM 0 HA GLU A 13 -4.654 -7.608 9.554 1.00 11.44 H new ATOM 0 HB2 GLU A 13 -2.236 -7.011 10.120 1.00 60.11 H new ATOM 0 HB3 GLU A 13 -2.852 -6.089 11.477 1.00 60.11 H new ATOM 0 HG2 GLU A 13 -3.752 -8.067 12.522 1.00 32.13 H new ATOM 0 HG3 GLU A 13 -3.452 -9.034 11.092 1.00 32.13 H new ATOM 234 N VAL A 14 -5.968 -5.091 10.959 1.00 24.31 N ATOM 235 CA VAL A 14 -7.099 -4.648 11.770 1.00 52.53 C ATOM 236 C VAL A 14 -8.387 -4.560 10.942 1.00 24.31 C ATOM 237 O VAL A 14 -9.488 -4.728 11.466 1.00 2.23 O ATOM 238 CB VAL A 14 -6.807 -3.273 12.428 1.00 12.13 C ATOM 239 CG1 VAL A 14 -8.024 -2.739 13.171 1.00 14.35 C ATOM 240 CG2 VAL A 14 -5.619 -3.372 13.373 1.00 24.12 C ATOM 0 H VAL A 14 -5.577 -4.371 10.352 1.00 24.31 H new ATOM 0 HA VAL A 14 -7.242 -5.394 12.552 1.00 52.53 H new ATOM 0 HB VAL A 14 -6.566 -2.573 11.628 1.00 12.13 H new ATOM 0 HG11 VAL A 14 -7.783 -1.775 13.619 1.00 14.35 H new ATOM 0 HG12 VAL A 14 -8.852 -2.618 12.473 1.00 14.35 H new ATOM 0 HG13 VAL A 14 -8.310 -3.442 13.954 1.00 14.35 H new ATOM 0 HG21 VAL A 14 -5.431 -2.398 13.824 1.00 24.12 H new ATOM 0 HG22 VAL A 14 -5.837 -4.098 14.156 1.00 24.12 H new ATOM 0 HG23 VAL A 14 -4.737 -3.691 12.817 1.00 24.12 H new ATOM 250 N ASN A 15 -8.253 -4.340 9.639 1.00 51.14 N ATOM 251 CA ASN A 15 -9.421 -4.036 8.810 1.00 74.13 C ATOM 252 C ASN A 15 -9.779 -5.148 7.831 1.00 34.23 C ATOM 253 O ASN A 15 -10.953 -5.341 7.522 1.00 12.51 O ATOM 254 CB ASN A 15 -9.219 -2.736 8.025 1.00 51.34 C ATOM 255 CG ASN A 15 -9.730 -1.513 8.764 1.00 34.54 C ATOM 256 OD1 ASN A 15 -10.906 -1.164 8.661 1.00 70.40 O ATOM 257 ND2 ASN A 15 -8.851 -0.840 9.490 1.00 0.50 N ATOM 0 H ASN A 15 -7.365 -4.365 9.138 1.00 51.14 H new ATOM 0 HA ASN A 15 -10.249 -3.930 9.511 1.00 74.13 H new ATOM 0 HB2 ASN A 15 -8.158 -2.608 7.811 1.00 51.34 H new ATOM 0 HB3 ASN A 15 -9.730 -2.814 7.065 1.00 51.34 H new ATOM 0 HD21 ASN A 15 -9.140 0.001 9.990 1.00 0.50 H new ATOM 0 HD22 ASN A 15 -7.885 -1.163 9.550 1.00 0.50 H new ATOM 264 N LYS A 16 -8.789 -5.866 7.322 1.00 23.11 N ATOM 265 CA LYS A 16 -9.037 -6.809 6.233 1.00 1.42 C ATOM 266 C LYS A 16 -8.737 -8.246 6.636 1.00 13.33 C ATOM 267 O LYS A 16 -9.275 -9.182 6.046 1.00 25.42 O ATOM 268 CB LYS A 16 -8.181 -6.443 5.018 1.00 52.22 C ATOM 269 CG LYS A 16 -8.274 -4.981 4.611 1.00 71.10 C ATOM 270 CD LYS A 16 -9.690 -4.596 4.223 1.00 45.43 C ATOM 271 CE LYS A 16 -9.805 -3.109 3.930 1.00 25.55 C ATOM 272 NZ LYS A 16 -11.200 -2.717 3.603 1.00 51.04 N ATOM 0 H LYS A 16 -7.820 -5.818 7.637 1.00 23.11 H new ATOM 0 HA LYS A 16 -10.096 -6.741 5.986 1.00 1.42 H new ATOM 0 HB2 LYS A 16 -7.140 -6.683 5.235 1.00 52.22 H new ATOM 0 HB3 LYS A 16 -8.482 -7.064 4.174 1.00 52.22 H new ATOM 0 HG2 LYS A 16 -7.939 -4.352 5.435 1.00 71.10 H new ATOM 0 HG3 LYS A 16 -7.603 -4.793 3.773 1.00 71.10 H new ATOM 0 HD2 LYS A 16 -9.995 -5.165 3.345 1.00 45.43 H new ATOM 0 HD3 LYS A 16 -10.374 -4.863 5.029 1.00 45.43 H new ATOM 0 HE2 LYS A 16 -9.461 -2.541 4.794 1.00 25.55 H new ATOM 0 HE3 LYS A 16 -9.150 -2.851 3.098 1.00 25.55 H new ATOM 0 HZ1 LYS A 16 -11.237 -1.696 3.409 1.00 51.04 H new ATOM 0 HZ2 LYS A 16 -11.520 -3.241 2.763 1.00 51.04 H new ATOM 0 HZ3 LYS A 16 -11.821 -2.940 4.407 1.00 51.04 H new ATOM 286 N LEU A 17 -7.896 -8.400 7.651 1.00 53.13 N ATOM 287 CA LEU A 17 -7.337 -9.701 8.026 1.00 54.42 C ATOM 288 C LEU A 17 -8.393 -10.817 8.125 1.00 41.14 C ATOM 289 O LEU A 17 -8.293 -11.817 7.415 1.00 44.43 O ATOM 290 CB LEU A 17 -6.573 -9.577 9.347 1.00 43.53 C ATOM 291 CG LEU A 17 -5.720 -10.785 9.711 1.00 3.51 C ATOM 292 CD1 LEU A 17 -4.491 -10.844 8.824 1.00 4.43 C ATOM 293 CD2 LEU A 17 -5.332 -10.737 11.178 1.00 24.21 C ATOM 0 H LEU A 17 -7.580 -7.629 8.240 1.00 53.13 H new ATOM 0 HA LEU A 17 -6.658 -9.993 7.225 1.00 54.42 H new ATOM 0 HB2 LEU A 17 -5.930 -8.698 9.297 1.00 43.53 H new ATOM 0 HB3 LEU A 17 -7.290 -9.402 10.149 1.00 43.53 H new ATOM 0 HG LEU A 17 -6.303 -11.691 9.547 1.00 3.51 H new ATOM 0 HD11 LEU A 17 -3.889 -11.712 9.094 1.00 4.43 H new ATOM 0 HD12 LEU A 17 -4.798 -10.925 7.781 1.00 4.43 H new ATOM 0 HD13 LEU A 17 -3.901 -9.937 8.959 1.00 4.43 H new ATOM 0 HD21 LEU A 17 -4.723 -11.607 11.422 1.00 24.21 H new ATOM 0 HD22 LEU A 17 -4.762 -9.829 11.374 1.00 24.21 H new ATOM 0 HD23 LEU A 17 -6.232 -10.741 11.793 1.00 24.21 H new ATOM 305 N PRO A 18 -9.420 -10.684 8.993 1.00 63.21 N ATOM 306 CA PRO A 18 -10.414 -11.731 9.192 1.00 2.34 C ATOM 307 C PRO A 18 -11.620 -11.585 8.268 1.00 63.15 C ATOM 308 O PRO A 18 -12.681 -12.155 8.528 1.00 2.52 O ATOM 309 CB PRO A 18 -10.843 -11.533 10.652 1.00 60.12 C ATOM 310 CG PRO A 18 -10.367 -10.166 11.057 1.00 51.50 C ATOM 311 CD PRO A 18 -9.708 -9.535 9.857 1.00 2.00 C ATOM 0 HA PRO A 18 -10.008 -12.719 8.973 1.00 2.34 H new ATOM 0 HB2 PRO A 18 -11.926 -11.612 10.752 1.00 60.12 H new ATOM 0 HB3 PRO A 18 -10.407 -12.300 11.292 1.00 60.12 H new ATOM 0 HG2 PRO A 18 -11.203 -9.556 11.399 1.00 51.50 H new ATOM 0 HG3 PRO A 18 -9.663 -10.236 11.887 1.00 51.50 H new ATOM 0 HD2 PRO A 18 -10.366 -8.817 9.367 1.00 2.00 H new ATOM 0 HD3 PRO A 18 -8.799 -8.999 10.131 1.00 2.00 H new ATOM 319 N HIS A 19 -11.449 -10.835 7.187 1.00 14.31 N ATOM 320 CA HIS A 19 -12.559 -10.533 6.292 1.00 2.40 C ATOM 321 C HIS A 19 -12.275 -11.008 4.873 1.00 74.32 C ATOM 322 O HIS A 19 -13.094 -11.698 4.266 1.00 54.02 O ATOM 323 CB HIS A 19 -12.851 -9.028 6.289 1.00 3.12 C ATOM 324 CG HIS A 19 -13.174 -8.479 7.645 1.00 51.43 C ATOM 325 ND1 HIS A 19 -12.379 -7.812 8.514 1.00 52.32 N flip ATOM 326 CD2 HIS A 19 -14.415 -8.636 8.205 1.00 32.24 C flip ATOM 327 CE1 HIS A 19 -13.135 -7.559 9.628 1.00 24.12 C flip ATOM 328 NE2 HIS A 19 -14.350 -8.071 9.399 1.00 73.45 N flip ATOM 0 H HIS A 19 -10.557 -10.426 6.909 1.00 14.31 H new ATOM 0 HA HIS A 19 -13.434 -11.068 6.661 1.00 2.40 H new ATOM 0 HB2 HIS A 19 -11.986 -8.499 5.888 1.00 3.12 H new ATOM 0 HB3 HIS A 19 -13.686 -8.829 5.617 1.00 3.12 H new ATOM 0 HD2 HIS A 19 -15.271 -9.122 7.762 1.00 32.24 H new ATOM 0 HE1 HIS A 19 -12.812 -7.044 10.521 1.00 24.12 H new ATOM 0 HE2 HIS A 19 -15.126 -8.031 10.060 1.00 73.45 H new ATOM 336 N VAL A 20 -11.113 -10.641 4.350 1.00 2.21 N ATOM 337 CA VAL A 20 -10.753 -10.980 2.981 1.00 14.13 C ATOM 338 C VAL A 20 -10.227 -12.409 2.891 1.00 11.44 C ATOM 339 O VAL A 20 -9.886 -13.020 3.906 1.00 32.30 O ATOM 340 CB VAL A 20 -9.693 -10.006 2.419 1.00 64.42 C ATOM 341 CG1 VAL A 20 -10.192 -8.568 2.491 1.00 62.14 C ATOM 342 CG2 VAL A 20 -8.367 -10.154 3.159 1.00 72.15 C ATOM 0 H VAL A 20 -10.404 -10.108 4.854 1.00 2.21 H new ATOM 0 HA VAL A 20 -11.660 -10.895 2.382 1.00 14.13 H new ATOM 0 HB VAL A 20 -9.524 -10.259 1.372 1.00 64.42 H new ATOM 0 HG11 VAL A 20 -9.431 -7.898 2.091 1.00 62.14 H new ATOM 0 HG12 VAL A 20 -11.106 -8.470 1.905 1.00 62.14 H new ATOM 0 HG13 VAL A 20 -10.397 -8.305 3.529 1.00 62.14 H new ATOM 0 HG21 VAL A 20 -7.639 -9.457 2.744 1.00 72.15 H new ATOM 0 HG22 VAL A 20 -8.515 -9.937 4.217 1.00 72.15 H new ATOM 0 HG23 VAL A 20 -7.999 -11.174 3.046 1.00 72.15 H new ATOM 352 N SER A 21 -10.167 -12.942 1.679 1.00 42.43 N ATOM 353 CA SER A 21 -9.656 -14.288 1.461 1.00 0.34 C ATOM 354 C SER A 21 -8.139 -14.320 1.637 1.00 12.11 C ATOM 355 O SER A 21 -7.474 -13.286 1.552 1.00 51.00 O ATOM 356 CB SER A 21 -10.038 -14.768 0.060 1.00 11.43 C ATOM 357 OG SER A 21 -9.615 -13.842 -0.929 1.00 31.04 O ATOM 0 H SER A 21 -10.466 -12.462 0.830 1.00 42.43 H new ATOM 0 HA SER A 21 -10.101 -14.956 2.199 1.00 0.34 H new ATOM 0 HB2 SER A 21 -9.585 -15.741 -0.131 1.00 11.43 H new ATOM 0 HB3 SER A 21 -11.118 -14.902 -0.000 1.00 11.43 H new ATOM 0 HG SER A 21 -9.869 -14.172 -1.816 1.00 31.04 H new ATOM 363 N GLU A 22 -7.590 -15.506 1.871 1.00 34.14 N ATOM 364 CA GLU A 22 -6.152 -15.660 2.032 1.00 14.54 C ATOM 365 C GLU A 22 -5.445 -15.437 0.702 1.00 24.25 C ATOM 366 O GLU A 22 -4.260 -15.106 0.661 1.00 32.52 O ATOM 367 CB GLU A 22 -5.812 -17.033 2.602 1.00 54.45 C ATOM 368 CG GLU A 22 -6.450 -17.283 3.955 1.00 4.22 C ATOM 369 CD GLU A 22 -5.923 -18.529 4.623 1.00 21.10 C ATOM 370 OE1 GLU A 22 -6.248 -19.641 4.161 1.00 14.04 O ATOM 371 OE2 GLU A 22 -5.183 -18.402 5.617 1.00 42.13 O ATOM 0 H GLU A 22 -8.120 -16.374 1.953 1.00 34.14 H new ATOM 0 HA GLU A 22 -5.803 -14.908 2.740 1.00 14.54 H new ATOM 0 HB2 GLU A 22 -6.140 -17.803 1.903 1.00 54.45 H new ATOM 0 HB3 GLU A 22 -4.730 -17.125 2.693 1.00 54.45 H new ATOM 0 HG2 GLU A 22 -6.270 -16.424 4.602 1.00 4.22 H new ATOM 0 HG3 GLU A 22 -7.530 -17.369 3.833 1.00 4.22 H new ATOM 378 N SER A 23 -6.180 -15.631 -0.384 1.00 64.12 N ATOM 379 CA SER A 23 -5.693 -15.272 -1.704 1.00 53.22 C ATOM 380 C SER A 23 -5.444 -13.767 -1.749 1.00 15.33 C ATOM 381 O SER A 23 -4.416 -13.307 -2.242 1.00 32.11 O ATOM 382 CB SER A 23 -6.711 -15.681 -2.773 1.00 75.20 C ATOM 383 OG SER A 23 -6.197 -15.481 -4.078 1.00 62.42 O ATOM 0 H SER A 23 -7.116 -16.036 -0.375 1.00 64.12 H new ATOM 0 HA SER A 23 -4.760 -15.798 -1.907 1.00 53.22 H new ATOM 0 HB2 SER A 23 -6.978 -16.730 -2.642 1.00 75.20 H new ATOM 0 HB3 SER A 23 -7.626 -15.102 -2.648 1.00 75.20 H new ATOM 0 HG SER A 23 -6.868 -15.752 -4.739 1.00 62.42 H new ATOM 389 N THR A 24 -6.382 -13.015 -1.188 1.00 74.12 N ATOM 390 CA THR A 24 -6.256 -11.571 -1.086 1.00 44.14 C ATOM 391 C THR A 24 -5.108 -11.198 -0.145 1.00 62.22 C ATOM 392 O THR A 24 -4.379 -10.236 -0.392 1.00 33.53 O ATOM 393 CB THR A 24 -7.573 -10.948 -0.579 1.00 42.10 C ATOM 394 OG1 THR A 24 -8.650 -11.325 -1.444 1.00 43.43 O ATOM 395 CG2 THR A 24 -7.483 -9.431 -0.505 1.00 72.11 C ATOM 0 H THR A 24 -7.246 -13.388 -0.794 1.00 74.12 H new ATOM 0 HA THR A 24 -6.039 -11.177 -2.079 1.00 44.14 H new ATOM 0 HB THR A 24 -7.756 -11.324 0.428 1.00 42.10 H new ATOM 0 HG1 THR A 24 -8.983 -12.210 -1.185 1.00 43.43 H new ATOM 0 HG21 THR A 24 -8.429 -9.028 -0.144 1.00 72.11 H new ATOM 0 HG22 THR A 24 -6.683 -9.147 0.178 1.00 72.11 H new ATOM 0 HG23 THR A 24 -7.273 -9.030 -1.497 1.00 72.11 H new ATOM 403 N LYS A 25 -4.943 -11.983 0.923 1.00 64.02 N ATOM 404 CA LYS A 25 -3.850 -11.780 1.872 1.00 74.25 C ATOM 405 C LYS A 25 -2.503 -11.802 1.155 1.00 3.43 C ATOM 406 O LYS A 25 -1.593 -11.046 1.491 1.00 11.42 O ATOM 407 CB LYS A 25 -3.854 -12.861 2.958 1.00 70.45 C ATOM 408 CG LYS A 25 -5.090 -12.870 3.846 1.00 53.14 C ATOM 409 CD LYS A 25 -4.956 -13.915 4.946 1.00 30.22 C ATOM 410 CE LYS A 25 -6.125 -13.887 5.921 1.00 13.40 C ATOM 411 NZ LYS A 25 -5.964 -14.909 6.994 1.00 73.34 N ATOM 0 H LYS A 25 -5.555 -12.766 1.151 1.00 64.02 H new ATOM 0 HA LYS A 25 -4.000 -10.806 2.337 1.00 74.25 H new ATOM 0 HB2 LYS A 25 -3.760 -13.836 2.480 1.00 70.45 H new ATOM 0 HB3 LYS A 25 -2.973 -12.728 3.586 1.00 70.45 H new ATOM 0 HG2 LYS A 25 -5.232 -11.884 4.289 1.00 53.14 H new ATOM 0 HG3 LYS A 25 -5.974 -13.080 3.244 1.00 53.14 H new ATOM 0 HD2 LYS A 25 -4.886 -14.905 4.496 1.00 30.22 H new ATOM 0 HD3 LYS A 25 -4.028 -13.747 5.492 1.00 30.22 H new ATOM 0 HE2 LYS A 25 -6.203 -12.896 6.369 1.00 13.40 H new ATOM 0 HE3 LYS A 25 -7.055 -14.067 5.382 1.00 13.40 H new ATOM 0 HZ1 LYS A 25 -6.875 -15.055 7.474 1.00 73.34 H new ATOM 0 HZ2 LYS A 25 -5.646 -15.806 6.574 1.00 73.34 H new ATOM 0 HZ3 LYS A 25 -5.259 -14.580 7.684 1.00 73.34 H new ATOM 425 N ARG A 26 -2.390 -12.668 0.152 1.00 0.11 N ATOM 426 CA ARG A 26 -1.152 -12.810 -0.605 1.00 64.15 C ATOM 427 C ARG A 26 -0.824 -11.517 -1.351 1.00 1.32 C ATOM 428 O ARG A 26 0.343 -11.160 -1.516 1.00 54.30 O ATOM 429 CB ARG A 26 -1.265 -13.974 -1.589 1.00 21.40 C ATOM 430 CG ARG A 26 0.076 -14.465 -2.113 1.00 42.35 C ATOM 431 CD ARG A 26 0.991 -14.868 -0.968 1.00 32.32 C ATOM 432 NE ARG A 26 2.113 -15.694 -1.409 1.00 63.33 N ATOM 433 CZ ARG A 26 2.949 -16.312 -0.573 1.00 21.35 C ATOM 434 NH1 ARG A 26 2.865 -16.102 0.737 1.00 63.25 N ATOM 435 NH2 ARG A 26 3.885 -17.121 -1.048 1.00 24.02 N ATOM 0 H ARG A 26 -3.143 -13.283 -0.155 1.00 0.11 H new ATOM 0 HA ARG A 26 -0.343 -13.018 0.095 1.00 64.15 H new ATOM 0 HB2 ARG A 26 -1.779 -14.802 -1.101 1.00 21.40 H new ATOM 0 HB3 ARG A 26 -1.884 -13.667 -2.432 1.00 21.40 H new ATOM 0 HG2 ARG A 26 -0.078 -15.315 -2.777 1.00 42.35 H new ATOM 0 HG3 ARG A 26 0.550 -13.681 -2.703 1.00 42.35 H new ATOM 0 HD2 ARG A 26 1.374 -13.971 -0.481 1.00 32.32 H new ATOM 0 HD3 ARG A 26 0.414 -15.414 -0.222 1.00 32.32 H new ATOM 0 HE ARG A 26 2.265 -15.804 -2.412 1.00 63.33 H new ATOM 0 HH11 ARG A 26 2.159 -15.466 1.107 1.00 63.25 H new ATOM 0 HH12 ARG A 26 3.507 -16.577 1.372 1.00 63.25 H new ATOM 0 HH21 ARG A 26 3.967 -17.272 -2.054 1.00 24.02 H new ATOM 0 HH22 ARG A 26 4.524 -17.593 -0.408 1.00 24.02 H new ATOM 449 N HIS A 27 -1.863 -10.815 -1.792 1.00 51.52 N ATOM 450 CA HIS A 27 -1.681 -9.533 -2.460 1.00 24.44 C ATOM 451 C HIS A 27 -1.183 -8.492 -1.468 1.00 32.32 C ATOM 452 O HIS A 27 -0.357 -7.645 -1.805 1.00 50.13 O ATOM 453 CB HIS A 27 -2.982 -9.056 -3.110 1.00 21.03 C ATOM 454 CG HIS A 27 -3.455 -9.924 -4.235 1.00 42.14 C ATOM 455 ND1 HIS A 27 -4.398 -10.896 -4.238 1.00 13.20 N flip ATOM 456 CD2 HIS A 27 -2.935 -9.802 -5.502 1.00 53.43 C flip ATOM 457 CE1 HIS A 27 -4.462 -11.381 -5.517 1.00 70.45 C flip ATOM 458 NE2 HIS A 27 -3.565 -10.696 -6.239 1.00 70.21 N flip ATOM 0 H HIS A 27 -2.835 -11.111 -1.699 1.00 51.52 H new ATOM 0 HA HIS A 27 -0.938 -9.666 -3.246 1.00 24.44 H new ATOM 0 HB2 HIS A 27 -3.761 -9.009 -2.349 1.00 21.03 H new ATOM 0 HB3 HIS A 27 -2.839 -8.042 -3.483 1.00 21.03 H new ATOM 0 HD2 HIS A 27 -2.168 -9.115 -5.827 1.00 53.43 H new ATOM 0 HE1 HIS A 27 -5.112 -12.166 -5.875 1.00 70.45 H new ATOM 0 HE2 HIS A 27 -3.391 -10.847 -7.233 1.00 70.21 H new ATOM 466 N TYR A 28 -1.682 -8.569 -0.238 1.00 52.25 N ATOM 467 CA TYR A 28 -1.234 -7.678 0.822 1.00 61.15 C ATOM 468 C TYR A 28 0.225 -7.939 1.164 1.00 43.15 C ATOM 469 O TYR A 28 0.976 -7.004 1.429 1.00 13.45 O ATOM 470 CB TYR A 28 -2.097 -7.829 2.075 1.00 41.31 C ATOM 471 CG TYR A 28 -3.456 -7.180 1.960 1.00 70.45 C ATOM 472 CD1 TYR A 28 -3.617 -5.819 2.201 1.00 21.14 C ATOM 473 CD2 TYR A 28 -4.579 -7.922 1.625 1.00 32.55 C ATOM 474 CE1 TYR A 28 -4.860 -5.222 2.110 1.00 51.34 C ATOM 475 CE2 TYR A 28 -5.822 -7.330 1.530 1.00 2.41 C ATOM 476 CZ TYR A 28 -5.958 -5.985 1.775 1.00 34.24 C ATOM 477 OH TYR A 28 -7.199 -5.398 1.677 1.00 1.23 O ATOM 0 H TYR A 28 -2.396 -9.239 0.047 1.00 52.25 H new ATOM 0 HA TYR A 28 -1.335 -6.656 0.456 1.00 61.15 H new ATOM 0 HB2 TYR A 28 -2.228 -8.890 2.289 1.00 41.31 H new ATOM 0 HB3 TYR A 28 -1.568 -7.395 2.924 1.00 41.31 H new ATOM 0 HD1 TYR A 28 -2.757 -5.220 2.463 1.00 21.14 H new ATOM 0 HD2 TYR A 28 -4.479 -8.981 1.435 1.00 32.55 H new ATOM 0 HE1 TYR A 28 -4.970 -4.165 2.300 1.00 51.34 H new ATOM 0 HE2 TYR A 28 -6.685 -7.922 1.264 1.00 2.41 H new ATOM 0 HH TYR A 28 -7.303 -4.999 0.788 1.00 1.23 H new ATOM 487 N GLU A 29 0.621 -9.210 1.153 1.00 12.55 N ATOM 488 CA GLU A 29 2.022 -9.569 1.352 1.00 4.54 C ATOM 489 C GLU A 29 2.894 -8.882 0.306 1.00 72.23 C ATOM 490 O GLU A 29 3.880 -8.226 0.641 1.00 22.22 O ATOM 491 CB GLU A 29 2.224 -11.084 1.268 1.00 5.25 C ATOM 492 CG GLU A 29 1.583 -11.867 2.402 1.00 61.44 C ATOM 493 CD GLU A 29 2.023 -13.319 2.408 1.00 61.45 C ATOM 494 OE1 GLU A 29 3.185 -13.585 2.776 1.00 34.03 O ATOM 495 OE2 GLU A 29 1.221 -14.200 2.033 1.00 74.12 O ATOM 0 H GLU A 29 -0.004 -10.003 1.009 1.00 12.55 H new ATOM 0 HA GLU A 29 2.313 -9.236 2.348 1.00 4.54 H new ATOM 0 HB2 GLU A 29 1.818 -11.440 0.322 1.00 5.25 H new ATOM 0 HB3 GLU A 29 3.293 -11.296 1.256 1.00 5.25 H new ATOM 0 HG2 GLU A 29 1.843 -11.405 3.354 1.00 61.44 H new ATOM 0 HG3 GLU A 29 0.498 -11.817 2.310 1.00 61.44 H new ATOM 502 N SER A 30 2.508 -9.027 -0.958 1.00 33.30 N ATOM 503 CA SER A 30 3.237 -8.419 -2.063 1.00 60.05 C ATOM 504 C SER A 30 3.253 -6.897 -1.924 1.00 33.52 C ATOM 505 O SER A 30 4.292 -6.258 -2.095 1.00 74.22 O ATOM 506 CB SER A 30 2.604 -8.830 -3.399 1.00 51.44 C ATOM 507 OG SER A 30 3.345 -8.334 -4.501 1.00 2.44 O ATOM 0 H SER A 30 1.689 -9.564 -1.242 1.00 33.30 H new ATOM 0 HA SER A 30 4.267 -8.774 -2.039 1.00 60.05 H new ATOM 0 HB2 SER A 30 2.548 -9.917 -3.457 1.00 51.44 H new ATOM 0 HB3 SER A 30 1.582 -8.455 -3.449 1.00 51.44 H new ATOM 0 HG SER A 30 2.803 -7.683 -4.994 1.00 2.44 H new ATOM 513 N ALA A 31 2.100 -6.327 -1.593 1.00 53.11 N ATOM 514 CA ALA A 31 1.981 -4.889 -1.407 1.00 11.54 C ATOM 515 C ALA A 31 2.907 -4.407 -0.299 1.00 72.44 C ATOM 516 O ALA A 31 3.762 -3.550 -0.519 1.00 24.51 O ATOM 517 CB ALA A 31 0.537 -4.525 -1.085 1.00 43.44 C ATOM 0 H ALA A 31 1.232 -6.843 -1.448 1.00 53.11 H new ATOM 0 HA ALA A 31 2.275 -4.395 -2.333 1.00 11.54 H new ATOM 0 HB1 ALA A 31 0.456 -3.447 -0.947 1.00 43.44 H new ATOM 0 HB2 ALA A 31 -0.108 -4.835 -1.907 1.00 43.44 H new ATOM 0 HB3 ALA A 31 0.229 -5.032 -0.170 1.00 43.44 H new ATOM 523 N TYR A 32 2.747 -4.996 0.878 1.00 52.04 N ATOM 524 CA TYR A 32 3.501 -4.606 2.061 1.00 64.30 C ATOM 525 C TYR A 32 5.009 -4.748 1.852 1.00 53.55 C ATOM 526 O TYR A 32 5.775 -3.865 2.239 1.00 2.03 O ATOM 527 CB TYR A 32 3.034 -5.443 3.262 1.00 11.41 C ATOM 528 CG TYR A 32 3.911 -5.334 4.489 1.00 23.33 C ATOM 529 CD1 TYR A 32 4.130 -4.113 5.113 1.00 23.23 C ATOM 530 CD2 TYR A 32 4.531 -6.459 5.015 1.00 51.41 C ATOM 531 CE1 TYR A 32 4.939 -4.019 6.228 1.00 14.15 C ATOM 532 CE2 TYR A 32 5.342 -6.374 6.127 1.00 13.12 C ATOM 533 CZ TYR A 32 5.544 -5.152 6.730 1.00 71.24 C ATOM 534 OH TYR A 32 6.362 -5.065 7.832 1.00 42.10 O ATOM 0 H TYR A 32 2.090 -5.759 1.040 1.00 52.04 H new ATOM 0 HA TYR A 32 3.309 -3.551 2.256 1.00 64.30 H new ATOM 0 HB2 TYR A 32 2.022 -5.138 3.528 1.00 11.41 H new ATOM 0 HB3 TYR A 32 2.983 -6.489 2.960 1.00 11.41 H new ATOM 0 HD1 TYR A 32 3.660 -3.223 4.720 1.00 23.23 H new ATOM 0 HD2 TYR A 32 4.375 -7.419 4.545 1.00 51.41 H new ATOM 0 HE1 TYR A 32 5.097 -3.063 6.705 1.00 14.15 H new ATOM 0 HE2 TYR A 32 5.816 -7.260 6.523 1.00 13.12 H new ATOM 0 HH TYR A 32 6.328 -5.907 8.332 1.00 42.10 H new ATOM 544 N LYS A 33 5.436 -5.841 1.229 1.00 22.25 N ATOM 545 CA LYS A 33 6.862 -6.108 1.083 1.00 54.13 C ATOM 546 C LYS A 33 7.515 -5.126 0.110 1.00 73.04 C ATOM 547 O LYS A 33 8.665 -4.737 0.302 1.00 45.31 O ATOM 548 CB LYS A 33 7.114 -7.559 0.650 1.00 3.15 C ATOM 549 CG LYS A 33 6.765 -7.861 -0.798 1.00 41.42 C ATOM 550 CD LYS A 33 6.968 -9.333 -1.117 1.00 44.15 C ATOM 551 CE LYS A 33 6.877 -9.596 -2.608 1.00 20.31 C ATOM 552 NZ LYS A 33 8.015 -8.991 -3.351 1.00 50.45 N ATOM 0 H LYS A 33 4.824 -6.548 0.822 1.00 22.25 H new ATOM 0 HA LYS A 33 7.324 -5.965 2.060 1.00 54.13 H new ATOM 0 HB2 LYS A 33 8.166 -7.794 0.812 1.00 3.15 H new ATOM 0 HB3 LYS A 33 6.536 -8.221 1.294 1.00 3.15 H new ATOM 0 HG2 LYS A 33 5.728 -7.584 -0.990 1.00 41.42 H new ATOM 0 HG3 LYS A 33 7.385 -7.254 -1.458 1.00 41.42 H new ATOM 0 HD2 LYS A 33 7.942 -9.655 -0.748 1.00 44.15 H new ATOM 0 HD3 LYS A 33 6.217 -9.926 -0.595 1.00 44.15 H new ATOM 0 HE2 LYS A 33 6.858 -10.671 -2.786 1.00 20.31 H new ATOM 0 HE3 LYS A 33 5.939 -9.193 -2.991 1.00 20.31 H new ATOM 0 HZ1 LYS A 33 7.658 -8.258 -3.996 1.00 50.45 H new ATOM 0 HZ2 LYS A 33 8.682 -8.564 -2.677 1.00 50.45 H new ATOM 0 HZ3 LYS A 33 8.502 -9.728 -3.900 1.00 50.45 H new ATOM 566 N HIS A 34 6.782 -4.709 -0.919 1.00 42.45 N ATOM 567 CA HIS A 34 7.301 -3.720 -1.860 1.00 24.22 C ATOM 568 C HIS A 34 7.272 -2.329 -1.241 1.00 44.01 C ATOM 569 O HIS A 34 8.165 -1.512 -1.479 1.00 35.44 O ATOM 570 CB HIS A 34 6.515 -3.725 -3.175 1.00 63.13 C ATOM 571 CG HIS A 34 6.917 -4.808 -4.128 1.00 20.30 C ATOM 572 ND1 HIS A 34 8.057 -4.763 -4.903 1.00 23.21 N ATOM 573 CD2 HIS A 34 6.304 -5.979 -4.434 1.00 62.33 C ATOM 574 CE1 HIS A 34 8.098 -5.880 -5.639 1.00 44.45 C ATOM 575 NE2 HIS A 34 7.055 -6.654 -5.390 1.00 24.31 N ATOM 0 H HIS A 34 5.837 -5.036 -1.122 1.00 42.45 H new ATOM 0 HA HIS A 34 8.333 -3.991 -2.084 1.00 24.22 H new ATOM 0 HB2 HIS A 34 5.454 -3.830 -2.950 1.00 63.13 H new ATOM 0 HB3 HIS A 34 6.643 -2.760 -3.665 1.00 63.13 H new ATOM 0 HD2 HIS A 34 5.379 -6.331 -4.003 1.00 62.33 H new ATOM 0 HE1 HIS A 34 8.881 -6.118 -6.344 1.00 44.45 H new ATOM 0 HE2 HIS A 34 6.845 -7.559 -5.812 1.00 24.31 H new ATOM 583 N ILE A 35 6.242 -2.066 -0.443 1.00 64.13 N ATOM 584 CA ILE A 35 6.134 -0.801 0.268 1.00 72.22 C ATOM 585 C ILE A 35 7.297 -0.630 1.241 1.00 2.05 C ATOM 586 O ILE A 35 7.988 0.386 1.216 1.00 43.12 O ATOM 587 CB ILE A 35 4.793 -0.686 1.031 1.00 14.41 C ATOM 588 CG1 ILE A 35 3.631 -0.548 0.043 1.00 50.25 C ATOM 589 CG2 ILE A 35 4.820 0.490 1.998 1.00 1.43 C ATOM 590 CD1 ILE A 35 2.270 -0.472 0.705 1.00 1.33 C ATOM 0 H ILE A 35 5.472 -2.713 -0.274 1.00 64.13 H new ATOM 0 HA ILE A 35 6.169 -0.007 -0.478 1.00 72.22 H new ATOM 0 HB ILE A 35 4.648 -1.596 1.612 1.00 14.41 H new ATOM 0 HG12 ILE A 35 3.782 0.348 -0.558 1.00 50.25 H new ATOM 0 HG13 ILE A 35 3.645 -1.397 -0.641 1.00 50.25 H new ATOM 0 HG21 ILE A 35 3.867 0.551 2.523 1.00 1.43 H new ATOM 0 HG22 ILE A 35 5.624 0.349 2.720 1.00 1.43 H new ATOM 0 HG23 ILE A 35 4.989 1.413 1.444 1.00 1.43 H new ATOM 0 HD11 ILE A 35 1.499 -0.375 -0.059 1.00 1.33 H new ATOM 0 HD12 ILE A 35 2.096 -1.379 1.284 1.00 1.33 H new ATOM 0 HD13 ILE A 35 2.235 0.393 1.367 1.00 1.33 H new ATOM 602 N LYS A 36 7.531 -1.639 2.073 1.00 33.30 N ATOM 603 CA LYS A 36 8.609 -1.577 3.053 1.00 11.23 C ATOM 604 C LYS A 36 9.969 -1.626 2.363 1.00 32.42 C ATOM 605 O LYS A 36 10.955 -1.113 2.883 1.00 22.30 O ATOM 606 CB LYS A 36 8.475 -2.701 4.090 1.00 2.40 C ATOM 607 CG LYS A 36 8.682 -4.104 3.548 1.00 44.15 C ATOM 608 CD LYS A 36 8.391 -5.153 4.612 1.00 1.53 C ATOM 609 CE LYS A 36 9.224 -4.932 5.870 1.00 42.42 C ATOM 610 NZ LYS A 36 8.879 -5.899 6.945 1.00 14.21 N ATOM 0 H LYS A 36 6.992 -2.505 2.089 1.00 33.30 H new ATOM 0 HA LYS A 36 8.533 -0.627 3.582 1.00 11.23 H new ATOM 0 HB2 LYS A 36 9.197 -2.526 4.888 1.00 2.40 H new ATOM 0 HB3 LYS A 36 7.483 -2.644 4.539 1.00 2.40 H new ATOM 0 HG2 LYS A 36 8.032 -4.264 2.688 1.00 44.15 H new ATOM 0 HG3 LYS A 36 9.708 -4.213 3.197 1.00 44.15 H new ATOM 0 HD2 LYS A 36 7.332 -5.126 4.868 1.00 1.53 H new ATOM 0 HD3 LYS A 36 8.597 -6.145 4.210 1.00 1.53 H new ATOM 0 HE2 LYS A 36 10.282 -5.025 5.625 1.00 42.42 H new ATOM 0 HE3 LYS A 36 9.069 -3.916 6.233 1.00 42.42 H new ATOM 0 HZ1 LYS A 36 9.480 -5.724 7.775 1.00 14.21 H new ATOM 0 HZ2 LYS A 36 7.880 -5.782 7.210 1.00 14.21 H new ATOM 0 HZ3 LYS A 36 9.035 -6.869 6.603 1.00 14.21 H new ATOM 624 N ASP A 37 10.005 -2.246 1.190 1.00 31.12 N ATOM 625 CA ASP A 37 11.214 -2.298 0.374 1.00 63.23 C ATOM 626 C ASP A 37 11.676 -0.894 -0.005 1.00 51.33 C ATOM 627 O ASP A 37 12.852 -0.553 0.139 1.00 41.02 O ATOM 628 CB ASP A 37 10.957 -3.129 -0.886 1.00 64.42 C ATOM 629 CG ASP A 37 12.064 -3.013 -1.914 1.00 45.31 C ATOM 630 OD1 ASP A 37 13.098 -3.695 -1.765 1.00 74.12 O ATOM 631 OD2 ASP A 37 11.893 -2.259 -2.894 1.00 24.34 O ATOM 0 H ASP A 37 9.203 -2.724 0.779 1.00 31.12 H new ATOM 0 HA ASP A 37 12.005 -2.769 0.958 1.00 63.23 H new ATOM 0 HB2 ASP A 37 10.839 -4.176 -0.605 1.00 64.42 H new ATOM 0 HB3 ASP A 37 10.017 -2.812 -1.337 1.00 64.42 H new ATOM 636 N HIS A 38 10.745 -0.077 -0.476 1.00 31.33 N ATOM 637 CA HIS A 38 11.066 1.286 -0.888 1.00 72.14 C ATOM 638 C HIS A 38 11.048 2.241 0.300 1.00 53.42 C ATOM 639 O HIS A 38 12.011 2.970 0.533 1.00 51.33 O ATOM 640 CB HIS A 38 10.091 1.784 -1.960 1.00 20.31 C ATOM 641 CG HIS A 38 10.303 1.171 -3.310 1.00 42.14 C ATOM 642 ND1 HIS A 38 10.970 1.807 -4.333 1.00 20.11 N ATOM 643 CD2 HIS A 38 9.919 -0.025 -3.805 1.00 13.22 C ATOM 644 CE1 HIS A 38 10.985 1.031 -5.399 1.00 40.25 C ATOM 645 NE2 HIS A 38 10.354 -0.093 -5.106 1.00 5.41 N ATOM 0 H HIS A 38 9.763 -0.331 -0.583 1.00 31.33 H new ATOM 0 HA HIS A 38 12.072 1.265 -1.307 1.00 72.14 H new ATOM 0 HB2 HIS A 38 9.072 1.576 -1.634 1.00 20.31 H new ATOM 0 HB3 HIS A 38 10.184 2.867 -2.046 1.00 20.31 H new ATOM 0 HD2 HIS A 38 9.370 -0.789 -3.275 1.00 13.22 H new ATOM 0 HE1 HIS A 38 11.436 1.273 -6.350 1.00 40.25 H new ATOM 0 HE2 HIS A 38 10.214 -0.879 -5.740 1.00 5.41 H new ATOM 654 N PHE A 39 9.967 2.215 1.063 1.00 63.44 N ATOM 655 CA PHE A 39 9.774 3.162 2.154 1.00 61.23 C ATOM 656 C PHE A 39 10.297 2.598 3.474 1.00 10.55 C ATOM 657 O PHE A 39 9.590 2.588 4.485 1.00 23.12 O ATOM 658 CB PHE A 39 8.291 3.516 2.282 1.00 1.02 C ATOM 659 CG PHE A 39 7.692 4.063 1.014 1.00 74.23 C ATOM 660 CD1 PHE A 39 7.999 5.344 0.578 1.00 25.23 C ATOM 661 CD2 PHE A 39 6.823 3.294 0.256 1.00 14.44 C ATOM 662 CE1 PHE A 39 7.449 5.845 -0.587 1.00 22.15 C ATOM 663 CE2 PHE A 39 6.271 3.790 -0.909 1.00 40.32 C ATOM 664 CZ PHE A 39 6.584 5.066 -1.331 1.00 2.24 C ATOM 0 H PHE A 39 9.206 1.546 0.948 1.00 63.44 H new ATOM 0 HA PHE A 39 10.341 4.065 1.926 1.00 61.23 H new ATOM 0 HB2 PHE A 39 7.738 2.626 2.581 1.00 1.02 H new ATOM 0 HB3 PHE A 39 8.168 4.250 3.078 1.00 1.02 H new ATOM 0 HD1 PHE A 39 8.675 5.957 1.155 1.00 25.23 H new ATOM 0 HD2 PHE A 39 6.574 2.294 0.580 1.00 14.44 H new ATOM 0 HE1 PHE A 39 7.695 6.844 -0.915 1.00 22.15 H new ATOM 0 HE2 PHE A 39 5.595 3.180 -1.489 1.00 40.32 H new ATOM 0 HZ PHE A 39 6.153 5.455 -2.242 1.00 2.24 H new ATOM 674 N ARG A 40 11.543 2.142 3.456 1.00 22.23 N ATOM 675 CA ARG A 40 12.186 1.595 4.647 1.00 72.41 C ATOM 676 C ARG A 40 12.272 2.640 5.757 1.00 21.10 C ATOM 677 O ARG A 40 13.024 3.610 5.652 1.00 43.53 O ATOM 678 CB ARG A 40 13.581 1.070 4.302 1.00 1.22 C ATOM 679 CG ARG A 40 13.659 -0.447 4.240 1.00 0.41 C ATOM 680 CD ARG A 40 14.925 -0.915 3.546 1.00 22.44 C ATOM 681 NE ARG A 40 14.871 -0.665 2.108 1.00 33.11 N ATOM 682 CZ ARG A 40 15.942 -0.557 1.323 1.00 21.54 C ATOM 683 NH1 ARG A 40 17.162 -0.662 1.829 1.00 45.54 N ATOM 684 NH2 ARG A 40 15.786 -0.348 0.024 1.00 4.34 N ATOM 0 H ARG A 40 12.133 2.140 2.624 1.00 22.23 H new ATOM 0 HA ARG A 40 11.576 0.768 5.010 1.00 72.41 H new ATOM 0 HB2 ARG A 40 13.888 1.481 3.340 1.00 1.22 H new ATOM 0 HB3 ARG A 40 14.291 1.432 5.045 1.00 1.22 H new ATOM 0 HG2 ARG A 40 13.626 -0.855 5.250 1.00 0.41 H new ATOM 0 HG3 ARG A 40 12.789 -0.835 3.711 1.00 0.41 H new ATOM 0 HD2 ARG A 40 15.786 -0.402 3.973 1.00 22.44 H new ATOM 0 HD3 ARG A 40 15.067 -1.981 3.726 1.00 22.44 H new ATOM 0 HE ARG A 40 13.952 -0.567 1.676 1.00 33.11 H new ATOM 0 HH11 ARG A 40 17.287 -0.827 2.828 1.00 45.54 H new ATOM 0 HH12 ARG A 40 17.976 -0.578 1.220 1.00 45.54 H new ATOM 0 HH21 ARG A 40 14.849 -0.270 -0.371 1.00 4.34 H new ATOM 0 HH22 ARG A 40 16.603 -0.265 -0.581 1.00 4.34 H new ATOM 698 N HIS A 41 11.463 2.436 6.801 1.00 34.35 N ATOM 699 CA HIS A 41 11.410 3.335 7.956 1.00 73.35 C ATOM 700 C HIS A 41 10.929 4.728 7.563 1.00 1.43 C ATOM 701 O HIS A 41 11.214 5.713 8.248 1.00 33.51 O ATOM 702 CB HIS A 41 12.767 3.418 8.660 1.00 70.14 C ATOM 703 CG HIS A 41 13.052 2.242 9.544 1.00 1.42 C ATOM 704 ND1 HIS A 41 13.288 2.356 10.897 1.00 72.13 N ATOM 705 CD2 HIS A 41 13.139 0.921 9.261 1.00 72.43 C ATOM 706 CE1 HIS A 41 13.509 1.158 11.406 1.00 30.20 C ATOM 707 NE2 HIS A 41 13.426 0.271 10.433 1.00 42.20 N ATOM 0 H HIS A 41 10.826 1.642 6.868 1.00 34.35 H new ATOM 0 HA HIS A 41 10.687 2.914 8.654 1.00 73.35 H new ATOM 0 HB2 HIS A 41 13.553 3.498 7.909 1.00 70.14 H new ATOM 0 HB3 HIS A 41 12.803 4.329 9.257 1.00 70.14 H new ATOM 0 HD2 HIS A 41 13.007 0.464 8.291 1.00 72.43 H new ATOM 0 HE1 HIS A 41 13.722 0.941 12.442 1.00 30.20 H new ATOM 0 HE2 HIS A 41 13.555 -0.736 10.536 1.00 42.20 H new ATOM 716 N LYS A 42 10.173 4.801 6.477 1.00 41.21 N ATOM 717 CA LYS A 42 9.596 6.059 6.034 1.00 72.25 C ATOM 718 C LYS A 42 8.286 6.322 6.775 1.00 53.15 C ATOM 719 O LYS A 42 7.406 5.460 6.826 1.00 40.43 O ATOM 720 CB LYS A 42 9.356 6.035 4.518 1.00 62.02 C ATOM 721 CG LYS A 42 8.876 7.362 3.940 1.00 21.23 C ATOM 722 CD LYS A 42 10.027 8.276 3.531 1.00 42.21 C ATOM 723 CE LYS A 42 10.978 8.554 4.682 1.00 12.44 C ATOM 724 NZ LYS A 42 11.932 9.647 4.368 1.00 14.21 N ATOM 0 H LYS A 42 9.945 4.001 5.886 1.00 41.21 H new ATOM 0 HA LYS A 42 10.296 6.864 6.258 1.00 72.25 H new ATOM 0 HB2 LYS A 42 10.282 5.748 4.019 1.00 62.02 H new ATOM 0 HB3 LYS A 42 8.619 5.265 4.290 1.00 62.02 H new ATOM 0 HG2 LYS A 42 8.245 7.169 3.073 1.00 21.23 H new ATOM 0 HG3 LYS A 42 8.257 7.872 4.678 1.00 21.23 H new ATOM 0 HD2 LYS A 42 10.578 7.818 2.710 1.00 42.21 H new ATOM 0 HD3 LYS A 42 9.625 9.218 3.159 1.00 42.21 H new ATOM 0 HE2 LYS A 42 10.404 8.819 5.570 1.00 12.44 H new ATOM 0 HE3 LYS A 42 11.533 7.647 4.920 1.00 12.44 H new ATOM 0 HZ1 LYS A 42 12.797 9.525 4.932 1.00 14.21 H new ATOM 0 HZ2 LYS A 42 12.171 9.619 3.356 1.00 14.21 H new ATOM 0 HZ3 LYS A 42 11.497 10.564 4.595 1.00 14.21 H new ATOM 738 N LEU A 43 8.173 7.507 7.367 1.00 33.22 N ATOM 739 CA LEU A 43 6.971 7.895 8.096 1.00 4.53 C ATOM 740 C LEU A 43 5.786 8.085 7.154 1.00 53.44 C ATOM 741 O LEU A 43 5.960 8.411 5.980 1.00 53.40 O ATOM 742 CB LEU A 43 7.211 9.184 8.886 1.00 64.31 C ATOM 743 CG LEU A 43 8.213 9.072 10.036 1.00 54.31 C ATOM 744 CD1 LEU A 43 8.424 10.427 10.690 1.00 50.00 C ATOM 745 CD2 LEU A 43 7.735 8.056 11.060 1.00 25.31 C ATOM 0 H LEU A 43 8.904 8.218 7.356 1.00 33.22 H new ATOM 0 HA LEU A 43 6.735 7.087 8.789 1.00 4.53 H new ATOM 0 HB2 LEU A 43 7.560 9.953 8.197 1.00 64.31 H new ATOM 0 HB3 LEU A 43 6.258 9.526 9.289 1.00 64.31 H new ATOM 0 HG LEU A 43 9.166 8.732 9.632 1.00 54.31 H new ATOM 0 HD11 LEU A 43 9.140 10.330 11.506 1.00 50.00 H new ATOM 0 HD12 LEU A 43 8.809 11.131 9.952 1.00 50.00 H new ATOM 0 HD13 LEU A 43 7.475 10.794 11.081 1.00 50.00 H new ATOM 0 HD21 LEU A 43 8.460 7.989 11.871 1.00 25.31 H new ATOM 0 HD22 LEU A 43 6.770 8.369 11.460 1.00 25.31 H new ATOM 0 HD23 LEU A 43 7.632 7.081 10.584 1.00 25.31 H new ATOM 757 N LEU A 44 4.588 7.894 7.696 1.00 31.10 N ATOM 758 CA LEU A 44 3.341 7.996 6.937 1.00 43.52 C ATOM 759 C LEU A 44 3.220 9.333 6.203 1.00 22.13 C ATOM 760 O LEU A 44 2.852 9.378 5.031 1.00 43.43 O ATOM 761 CB LEU A 44 2.157 7.817 7.892 1.00 51.42 C ATOM 762 CG LEU A 44 0.770 7.889 7.247 1.00 73.43 C ATOM 763 CD1 LEU A 44 0.579 6.753 6.258 1.00 52.05 C ATOM 764 CD2 LEU A 44 -0.316 7.851 8.308 1.00 72.41 C ATOM 0 H LEU A 44 4.451 7.663 8.680 1.00 31.10 H new ATOM 0 HA LEU A 44 3.341 7.211 6.181 1.00 43.52 H new ATOM 0 HB2 LEU A 44 2.257 6.852 8.389 1.00 51.42 H new ATOM 0 HB3 LEU A 44 2.218 8.582 8.666 1.00 51.42 H new ATOM 0 HG LEU A 44 0.695 8.833 6.708 1.00 73.43 H new ATOM 0 HD11 LEU A 44 -0.413 6.823 5.811 1.00 52.05 H new ATOM 0 HD12 LEU A 44 1.335 6.821 5.476 1.00 52.05 H new ATOM 0 HD13 LEU A 44 0.677 5.799 6.776 1.00 52.05 H new ATOM 0 HD21 LEU A 44 -1.294 7.903 7.830 1.00 72.41 H new ATOM 0 HD22 LEU A 44 -0.238 6.923 8.875 1.00 72.41 H new ATOM 0 HD23 LEU A 44 -0.196 8.699 8.982 1.00 72.41 H new ATOM 776 N LYS A 45 3.535 10.419 6.894 1.00 22.32 N ATOM 777 CA LYS A 45 3.394 11.751 6.316 1.00 43.43 C ATOM 778 C LYS A 45 4.597 12.119 5.455 1.00 32.45 C ATOM 779 O LYS A 45 4.587 13.138 4.765 1.00 15.14 O ATOM 780 CB LYS A 45 3.217 12.800 7.417 1.00 20.45 C ATOM 781 CG LYS A 45 4.370 12.844 8.408 1.00 31.43 C ATOM 782 CD LYS A 45 4.316 14.092 9.275 1.00 10.10 C ATOM 783 CE LYS A 45 5.466 14.124 10.266 1.00 33.00 C ATOM 784 NZ LYS A 45 5.495 15.388 11.047 1.00 74.22 N ATOM 0 H LYS A 45 3.888 10.407 7.851 1.00 22.32 H new ATOM 0 HA LYS A 45 2.507 11.735 5.682 1.00 43.43 H new ATOM 0 HB2 LYS A 45 3.107 13.782 6.957 1.00 20.45 H new ATOM 0 HB3 LYS A 45 2.293 12.595 7.957 1.00 20.45 H new ATOM 0 HG2 LYS A 45 4.339 11.958 9.042 1.00 31.43 H new ATOM 0 HG3 LYS A 45 5.316 12.816 7.868 1.00 31.43 H new ATOM 0 HD2 LYS A 45 4.353 14.979 8.643 1.00 10.10 H new ATOM 0 HD3 LYS A 45 3.368 14.123 9.813 1.00 10.10 H new ATOM 0 HE2 LYS A 45 5.380 13.278 10.948 1.00 33.00 H new ATOM 0 HE3 LYS A 45 6.408 14.007 9.731 1.00 33.00 H new ATOM 0 HZ1 LYS A 45 6.295 15.368 11.711 1.00 74.22 H new ATOM 0 HZ2 LYS A 45 5.603 16.194 10.399 1.00 74.22 H new ATOM 0 HZ3 LYS A 45 4.607 15.488 11.578 1.00 74.22 H new ATOM 798 N ASP A 46 5.628 11.290 5.484 1.00 4.02 N ATOM 799 CA ASP A 46 6.865 11.615 4.789 1.00 71.11 C ATOM 800 C ASP A 46 6.932 10.892 3.451 1.00 72.30 C ATOM 801 O ASP A 46 7.944 10.939 2.752 1.00 31.22 O ATOM 802 CB ASP A 46 8.075 11.259 5.657 1.00 21.25 C ATOM 803 CG ASP A 46 9.272 12.145 5.368 1.00 43.54 C ATOM 804 OD1 ASP A 46 9.195 13.358 5.653 1.00 41.43 O ATOM 805 OD2 ASP A 46 10.298 11.640 4.870 1.00 24.05 O ATOM 0 H ASP A 46 5.635 10.396 5.975 1.00 4.02 H new ATOM 0 HA ASP A 46 6.883 12.688 4.598 1.00 71.11 H new ATOM 0 HB2 ASP A 46 7.804 11.350 6.709 1.00 21.25 H new ATOM 0 HB3 ASP A 46 8.347 10.217 5.487 1.00 21.25 H new ATOM 810 N ILE A 47 5.839 10.224 3.098 1.00 14.32 N ATOM 811 CA ILE A 47 5.740 9.559 1.807 1.00 62.45 C ATOM 812 C ILE A 47 5.677 10.590 0.696 1.00 74.15 C ATOM 813 O ILE A 47 4.729 11.374 0.611 1.00 33.10 O ATOM 814 CB ILE A 47 4.493 8.649 1.707 1.00 25.14 C ATOM 815 CG1 ILE A 47 4.476 7.621 2.841 1.00 63.22 C ATOM 816 CG2 ILE A 47 4.444 7.951 0.350 1.00 23.13 C ATOM 817 CD1 ILE A 47 5.659 6.680 2.834 1.00 54.04 C ATOM 0 H ILE A 47 5.012 10.130 3.687 1.00 14.32 H new ATOM 0 HA ILE A 47 6.628 8.935 1.705 1.00 62.45 H new ATOM 0 HB ILE A 47 3.607 9.277 1.804 1.00 25.14 H new ATOM 0 HG12 ILE A 47 4.449 8.148 3.795 1.00 63.22 H new ATOM 0 HG13 ILE A 47 3.559 7.036 2.774 1.00 63.22 H new ATOM 0 HG21 ILE A 47 3.560 7.316 0.299 1.00 23.13 H new ATOM 0 HG22 ILE A 47 4.400 8.698 -0.442 1.00 23.13 H new ATOM 0 HG23 ILE A 47 5.338 7.340 0.223 1.00 23.13 H new ATOM 0 HD11 ILE A 47 5.574 5.983 3.667 1.00 54.04 H new ATOM 0 HD12 ILE A 47 5.677 6.125 1.896 1.00 54.04 H new ATOM 0 HD13 ILE A 47 6.581 7.253 2.933 1.00 54.04 H new ATOM 829 N LYS A 48 6.699 10.601 -0.139 1.00 53.15 N ATOM 830 CA LYS A 48 6.748 11.518 -1.259 1.00 33.35 C ATOM 831 C LYS A 48 5.766 11.059 -2.335 1.00 64.04 C ATOM 832 O LYS A 48 5.810 9.909 -2.766 1.00 21.02 O ATOM 833 CB LYS A 48 8.172 11.590 -1.815 1.00 42.55 C ATOM 834 CG LYS A 48 8.498 12.912 -2.486 1.00 13.53 C ATOM 835 CD LYS A 48 8.460 14.070 -1.496 1.00 41.43 C ATOM 836 CE LYS A 48 9.476 13.896 -0.374 1.00 40.34 C ATOM 837 NZ LYS A 48 10.875 13.950 -0.875 1.00 30.32 N ATOM 0 H LYS A 48 7.507 9.984 -0.061 1.00 53.15 H new ATOM 0 HA LYS A 48 6.462 12.516 -0.927 1.00 33.35 H new ATOM 0 HB2 LYS A 48 8.879 11.421 -1.003 1.00 42.55 H new ATOM 0 HB3 LYS A 48 8.313 10.783 -2.534 1.00 42.55 H new ATOM 0 HG2 LYS A 48 9.486 12.855 -2.942 1.00 13.53 H new ATOM 0 HG3 LYS A 48 7.786 13.097 -3.290 1.00 13.53 H new ATOM 0 HD2 LYS A 48 8.658 15.004 -2.023 1.00 41.43 H new ATOM 0 HD3 LYS A 48 7.460 14.150 -1.070 1.00 41.43 H new ATOM 0 HE2 LYS A 48 9.328 14.676 0.373 1.00 40.34 H new ATOM 0 HE3 LYS A 48 9.306 12.941 0.124 1.00 40.34 H new ATOM 0 HZ1 LYS A 48 11.532 13.964 -0.069 1.00 30.32 H new ATOM 0 HZ2 LYS A 48 11.066 13.114 -1.463 1.00 30.32 H new ATOM 0 HZ3 LYS A 48 11.007 14.810 -1.444 1.00 30.32 H new ATOM 851 N ARG A 49 4.882 11.955 -2.755 1.00 14.52 N ATOM 852 CA ARG A 49 3.830 11.610 -3.710 1.00 11.11 C ATOM 853 C ARG A 49 4.425 11.186 -5.052 1.00 54.20 C ATOM 854 O ARG A 49 3.867 10.341 -5.750 1.00 70.04 O ATOM 855 CB ARG A 49 2.863 12.787 -3.885 1.00 1.44 C ATOM 856 CG ARG A 49 3.448 13.976 -4.625 1.00 62.13 C ATOM 857 CD ARG A 49 2.726 15.263 -4.262 1.00 41.24 C ATOM 858 NE ARG A 49 3.025 15.677 -2.891 1.00 12.45 N ATOM 859 CZ ARG A 49 2.543 16.774 -2.310 1.00 54.11 C ATOM 860 NH1 ARG A 49 1.696 17.561 -2.960 1.00 33.41 N ATOM 861 NH2 ARG A 49 2.917 17.088 -1.075 1.00 41.05 N ATOM 0 H ARG A 49 4.870 12.928 -2.450 1.00 14.52 H new ATOM 0 HA ARG A 49 3.271 10.762 -3.314 1.00 11.11 H new ATOM 0 HB2 ARG A 49 1.980 12.439 -4.422 1.00 1.44 H new ATOM 0 HB3 ARG A 49 2.529 13.116 -2.901 1.00 1.44 H new ATOM 0 HG2 ARG A 49 4.507 14.071 -4.385 1.00 62.13 H new ATOM 0 HG3 ARG A 49 3.378 13.808 -5.700 1.00 62.13 H new ATOM 0 HD2 ARG A 49 3.018 16.053 -4.954 1.00 41.24 H new ATOM 0 HD3 ARG A 49 1.651 15.123 -4.375 1.00 41.24 H new ATOM 0 HE ARG A 49 3.646 15.084 -2.341 1.00 12.45 H new ATOM 0 HH11 ARG A 49 1.410 17.327 -3.911 1.00 33.41 H new ATOM 0 HH12 ARG A 49 1.331 18.400 -2.509 1.00 33.41 H new ATOM 0 HH21 ARG A 49 3.573 16.489 -0.573 1.00 41.05 H new ATOM 0 HH22 ARG A 49 2.549 17.928 -0.629 1.00 41.05 H new ATOM 875 N THR A 50 5.567 11.765 -5.394 1.00 44.53 N ATOM 876 CA THR A 50 6.281 11.391 -6.603 1.00 54.10 C ATOM 877 C THR A 50 6.889 10.001 -6.458 1.00 33.32 C ATOM 878 O THR A 50 6.852 9.194 -7.387 1.00 22.30 O ATOM 879 CB THR A 50 7.379 12.417 -6.915 1.00 20.44 C ATOM 880 OG1 THR A 50 7.926 12.914 -5.687 1.00 12.13 O ATOM 881 CG2 THR A 50 6.828 13.571 -7.740 1.00 54.35 C ATOM 0 H THR A 50 6.019 12.498 -4.848 1.00 44.53 H new ATOM 0 HA THR A 50 5.570 11.375 -7.429 1.00 54.10 H new ATOM 0 HB THR A 50 8.160 11.927 -7.496 1.00 20.44 H new ATOM 0 HG1 THR A 50 8.629 13.568 -5.883 1.00 12.13 H new ATOM 0 HG21 THR A 50 7.626 14.284 -7.947 1.00 54.35 H new ATOM 0 HG22 THR A 50 6.430 13.189 -8.680 1.00 54.35 H new ATOM 0 HG23 THR A 50 6.033 14.068 -7.185 1.00 54.35 H new ATOM 889 N GLU A 51 7.428 9.724 -5.274 1.00 65.03 N ATOM 890 CA GLU A 51 7.996 8.418 -4.966 1.00 61.55 C ATOM 891 C GLU A 51 6.903 7.358 -4.989 1.00 15.10 C ATOM 892 O GLU A 51 7.102 6.247 -5.477 1.00 42.04 O ATOM 893 CB GLU A 51 8.678 8.456 -3.595 1.00 51.04 C ATOM 894 CG GLU A 51 9.388 7.168 -3.213 1.00 44.41 C ATOM 895 CD GLU A 51 10.505 6.813 -4.171 1.00 4.53 C ATOM 896 OE1 GLU A 51 11.477 7.588 -4.274 1.00 52.32 O ATOM 897 OE2 GLU A 51 10.428 5.752 -4.816 1.00 11.01 O ATOM 0 H GLU A 51 7.483 10.394 -4.507 1.00 65.03 H new ATOM 0 HA GLU A 51 8.742 8.165 -5.719 1.00 61.55 H new ATOM 0 HB2 GLU A 51 9.400 9.272 -3.584 1.00 51.04 H new ATOM 0 HB3 GLU A 51 7.929 8.683 -2.836 1.00 51.04 H new ATOM 0 HG2 GLU A 51 9.795 7.267 -2.207 1.00 44.41 H new ATOM 0 HG3 GLU A 51 8.665 6.353 -3.186 1.00 44.41 H new ATOM 904 N TYR A 52 5.740 7.726 -4.471 1.00 12.32 N ATOM 905 CA TYR A 52 4.586 6.840 -4.457 1.00 71.41 C ATOM 906 C TYR A 52 4.115 6.532 -5.880 1.00 60.33 C ATOM 907 O TYR A 52 3.802 5.385 -6.207 1.00 32.25 O ATOM 908 CB TYR A 52 3.452 7.469 -3.642 1.00 21.20 C ATOM 909 CG TYR A 52 2.170 6.673 -3.674 1.00 20.12 C ATOM 910 CD1 TYR A 52 2.111 5.393 -3.140 1.00 31.42 C ATOM 911 CD2 TYR A 52 1.023 7.200 -4.248 1.00 54.14 C ATOM 912 CE1 TYR A 52 0.941 4.662 -3.177 1.00 14.01 C ATOM 913 CE2 TYR A 52 -0.150 6.473 -4.287 1.00 71.12 C ATOM 914 CZ TYR A 52 -0.186 5.205 -3.750 1.00 34.10 C ATOM 915 OH TYR A 52 -1.355 4.479 -3.788 1.00 43.21 O ATOM 0 H TYR A 52 5.571 8.640 -4.052 1.00 12.32 H new ATOM 0 HA TYR A 52 4.879 5.900 -3.989 1.00 71.41 H new ATOM 0 HB2 TYR A 52 3.777 7.577 -2.607 1.00 21.20 H new ATOM 0 HB3 TYR A 52 3.256 8.472 -4.021 1.00 21.20 H new ATOM 0 HD1 TYR A 52 2.993 4.963 -2.689 1.00 31.42 H new ATOM 0 HD2 TYR A 52 1.048 8.194 -4.671 1.00 54.14 H new ATOM 0 HE1 TYR A 52 0.910 3.667 -2.758 1.00 14.01 H new ATOM 0 HE2 TYR A 52 -1.036 6.897 -4.737 1.00 71.12 H new ATOM 0 HH TYR A 52 -1.716 4.488 -4.699 1.00 43.21 H new ATOM 925 N GLN A 53 4.066 7.557 -6.720 1.00 22.25 N ATOM 926 CA GLN A 53 3.682 7.383 -8.112 1.00 64.32 C ATOM 927 C GLN A 53 4.719 6.532 -8.839 1.00 43.42 C ATOM 928 O GLN A 53 4.376 5.602 -9.572 1.00 5.10 O ATOM 929 CB GLN A 53 3.551 8.738 -8.802 1.00 2.33 C ATOM 930 CG GLN A 53 3.048 8.637 -10.227 1.00 53.00 C ATOM 931 CD GLN A 53 3.200 9.930 -10.989 1.00 51.41 C ATOM 932 OE1 GLN A 53 3.159 11.017 -10.415 1.00 2.32 O ATOM 933 NE2 GLN A 53 3.381 9.818 -12.290 1.00 54.01 N ATOM 0 H GLN A 53 4.288 8.518 -6.460 1.00 22.25 H new ATOM 0 HA GLN A 53 2.717 6.877 -8.144 1.00 64.32 H new ATOM 0 HB2 GLN A 53 2.871 9.367 -8.227 1.00 2.33 H new ATOM 0 HB3 GLN A 53 4.521 9.234 -8.801 1.00 2.33 H new ATOM 0 HG2 GLN A 53 3.593 7.848 -10.745 1.00 53.00 H new ATOM 0 HG3 GLN A 53 1.998 8.346 -10.218 1.00 53.00 H new ATOM 0 HE21 GLN A 53 3.408 8.895 -12.724 1.00 54.01 H new ATOM 0 HE22 GLN A 53 3.494 10.654 -12.863 1.00 54.01 H new ATOM 942 N LYS A 54 5.987 6.865 -8.626 1.00 41.35 N ATOM 943 CA LYS A 54 7.102 6.097 -9.173 1.00 13.35 C ATOM 944 C LYS A 54 7.025 4.641 -8.725 1.00 52.15 C ATOM 945 O LYS A 54 7.302 3.730 -9.503 1.00 13.25 O ATOM 946 CB LYS A 54 8.433 6.711 -8.731 1.00 55.20 C ATOM 947 CG LYS A 54 9.254 7.298 -9.864 1.00 3.30 C ATOM 948 CD LYS A 54 8.504 8.396 -10.597 1.00 34.54 C ATOM 949 CE LYS A 54 9.308 8.931 -11.773 1.00 22.14 C ATOM 950 NZ LYS A 54 9.641 7.860 -12.753 1.00 23.44 N ATOM 0 H LYS A 54 6.272 7.672 -8.071 1.00 41.35 H new ATOM 0 HA LYS A 54 7.039 6.128 -10.261 1.00 13.35 H new ATOM 0 HB2 LYS A 54 8.234 7.493 -7.998 1.00 55.20 H new ATOM 0 HB3 LYS A 54 9.024 5.946 -8.228 1.00 55.20 H new ATOM 0 HG2 LYS A 54 10.187 7.698 -9.467 1.00 3.30 H new ATOM 0 HG3 LYS A 54 9.520 6.508 -10.567 1.00 3.30 H new ATOM 0 HD2 LYS A 54 7.549 8.010 -10.953 1.00 34.54 H new ATOM 0 HD3 LYS A 54 8.282 9.210 -9.907 1.00 34.54 H new ATOM 0 HE2 LYS A 54 8.741 9.716 -12.273 1.00 22.14 H new ATOM 0 HE3 LYS A 54 10.228 9.386 -11.406 1.00 22.14 H new ATOM 0 HZ1 LYS A 54 9.925 8.291 -13.656 1.00 23.44 H new ATOM 0 HZ2 LYS A 54 10.423 7.283 -12.384 1.00 23.44 H new ATOM 0 HZ3 LYS A 54 8.807 7.257 -12.905 1.00 23.44 H new ATOM 964 N PHE A 55 6.655 4.437 -7.465 1.00 75.51 N ATOM 965 CA PHE A 55 6.456 3.099 -6.921 1.00 3.13 C ATOM 966 C PHE A 55 5.452 2.317 -7.768 1.00 52.44 C ATOM 967 O PHE A 55 5.708 1.175 -8.151 1.00 45.35 O ATOM 968 CB PHE A 55 5.977 3.195 -5.467 1.00 75.41 C ATOM 969 CG PHE A 55 5.545 1.884 -4.868 1.00 32.13 C ATOM 970 CD1 PHE A 55 6.481 0.954 -4.445 1.00 23.31 C ATOM 971 CD2 PHE A 55 4.199 1.588 -4.725 1.00 32.42 C ATOM 972 CE1 PHE A 55 6.079 -0.246 -3.891 1.00 74.41 C ATOM 973 CE2 PHE A 55 3.793 0.390 -4.173 1.00 41.11 C ATOM 974 CZ PHE A 55 4.733 -0.529 -3.756 1.00 32.42 C ATOM 0 H PHE A 55 6.486 5.189 -6.797 1.00 75.51 H new ATOM 0 HA PHE A 55 7.406 2.564 -6.945 1.00 3.13 H new ATOM 0 HB2 PHE A 55 6.780 3.611 -4.859 1.00 75.41 H new ATOM 0 HB3 PHE A 55 5.144 3.896 -5.417 1.00 75.41 H new ATOM 0 HD1 PHE A 55 7.534 1.169 -4.549 1.00 23.31 H new ATOM 0 HD2 PHE A 55 3.458 2.304 -5.050 1.00 32.42 H new ATOM 0 HE1 PHE A 55 6.817 -0.963 -3.563 1.00 74.41 H new ATOM 0 HE2 PHE A 55 2.740 0.172 -4.068 1.00 41.11 H new ATOM 0 HZ PHE A 55 4.418 -1.468 -3.325 1.00 32.42 H new ATOM 984 N LEU A 56 4.320 2.946 -8.070 1.00 22.04 N ATOM 985 CA LEU A 56 3.295 2.323 -8.896 1.00 1.44 C ATOM 986 C LEU A 56 3.811 2.098 -10.312 1.00 24.45 C ATOM 987 O LEU A 56 3.615 1.030 -10.894 1.00 53.15 O ATOM 988 CB LEU A 56 2.032 3.192 -8.931 1.00 13.34 C ATOM 989 CG LEU A 56 1.299 3.334 -7.597 1.00 41.11 C ATOM 990 CD1 LEU A 56 0.145 4.312 -7.733 1.00 30.24 C ATOM 991 CD2 LEU A 56 0.793 1.981 -7.119 1.00 34.22 C ATOM 0 H LEU A 56 4.091 3.888 -7.754 1.00 22.04 H new ATOM 0 HA LEU A 56 3.045 1.357 -8.457 1.00 1.44 H new ATOM 0 HB2 LEU A 56 2.305 4.186 -9.284 1.00 13.34 H new ATOM 0 HB3 LEU A 56 1.342 2.772 -9.663 1.00 13.34 H new ATOM 0 HG LEU A 56 1.999 3.720 -6.857 1.00 41.11 H new ATOM 0 HD11 LEU A 56 -0.369 4.404 -6.776 1.00 30.24 H new ATOM 0 HD12 LEU A 56 0.528 5.287 -8.035 1.00 30.24 H new ATOM 0 HD13 LEU A 56 -0.554 3.948 -8.486 1.00 30.24 H new ATOM 0 HD21 LEU A 56 0.274 2.102 -6.168 1.00 34.22 H new ATOM 0 HD22 LEU A 56 0.106 1.568 -7.858 1.00 34.22 H new ATOM 0 HD23 LEU A 56 1.636 1.303 -6.988 1.00 34.22 H new ATOM 1003 N ASN A 57 4.479 3.107 -10.856 1.00 21.14 N ATOM 1004 CA ASN A 57 5.024 3.022 -12.208 1.00 51.22 C ATOM 1005 C ASN A 57 5.985 1.847 -12.343 1.00 32.20 C ATOM 1006 O ASN A 57 5.947 1.122 -13.336 1.00 34.02 O ATOM 1007 CB ASN A 57 5.737 4.320 -12.597 1.00 42.44 C ATOM 1008 CG ASN A 57 4.786 5.412 -13.051 1.00 51.30 C ATOM 1009 OD1 ASN A 57 3.606 5.481 -12.454 1.00 21.54 O flip ATOM 1010 ND2 ASN A 57 5.116 6.200 -13.937 1.00 14.12 N flip ATOM 0 H ASN A 57 4.657 3.993 -10.384 1.00 21.14 H new ATOM 0 HA ASN A 57 4.184 2.865 -12.885 1.00 51.22 H new ATOM 0 HB2 ASN A 57 6.313 4.680 -11.744 1.00 42.44 H new ATOM 0 HB3 ASN A 57 6.448 4.111 -13.396 1.00 42.44 H new ATOM 0 HD21 ASN A 57 6.033 6.119 -14.376 1.00 14.12 H new ATOM 0 HD22 ASN A 57 4.473 6.934 -14.232 1.00 14.12 H new ATOM 1017 N GLU A 58 6.830 1.665 -11.335 1.00 5.45 N ATOM 1018 CA GLU A 58 7.801 0.579 -11.322 1.00 52.11 C ATOM 1019 C GLU A 58 7.101 -0.762 -11.104 1.00 71.45 C ATOM 1020 O GLU A 58 7.413 -1.755 -11.764 1.00 32.14 O ATOM 1021 CB GLU A 58 8.829 0.819 -10.211 1.00 73.32 C ATOM 1022 CG GLU A 58 9.969 -0.191 -10.182 1.00 22.52 C ATOM 1023 CD GLU A 58 10.843 -0.126 -11.418 1.00 22.54 C ATOM 1024 OE1 GLU A 58 11.583 0.869 -11.573 1.00 60.14 O ATOM 1025 OE2 GLU A 58 10.813 -1.077 -12.230 1.00 3.00 O ATOM 0 H GLU A 58 6.861 2.262 -10.509 1.00 5.45 H new ATOM 0 HA GLU A 58 8.310 0.551 -12.285 1.00 52.11 H new ATOM 0 HB2 GLU A 58 9.248 1.818 -10.329 1.00 73.32 H new ATOM 0 HB3 GLU A 58 8.318 0.800 -9.249 1.00 73.32 H new ATOM 0 HG2 GLU A 58 10.583 -0.014 -9.299 1.00 22.52 H new ATOM 0 HG3 GLU A 58 9.556 -1.195 -10.087 1.00 22.52 H new ATOM 1032 N TYR A 59 6.146 -0.779 -10.182 1.00 64.34 N ATOM 1033 CA TYR A 59 5.435 -2.002 -9.823 1.00 74.15 C ATOM 1034 C TYR A 59 4.732 -2.604 -11.038 1.00 4.20 C ATOM 1035 O TYR A 59 4.742 -3.822 -11.232 1.00 22.35 O ATOM 1036 CB TYR A 59 4.419 -1.708 -8.716 1.00 21.31 C ATOM 1037 CG TYR A 59 3.800 -2.940 -8.090 1.00 31.44 C ATOM 1038 CD1 TYR A 59 4.396 -3.556 -6.994 1.00 55.44 C ATOM 1039 CD2 TYR A 59 2.611 -3.475 -8.578 1.00 22.35 C ATOM 1040 CE1 TYR A 59 3.830 -4.670 -6.409 1.00 0.14 C ATOM 1041 CE2 TYR A 59 2.041 -4.593 -7.996 1.00 3.11 C ATOM 1042 CZ TYR A 59 2.654 -5.182 -6.910 1.00 55.21 C ATOM 1043 OH TYR A 59 2.091 -6.291 -6.323 1.00 22.11 O ATOM 0 H TYR A 59 5.844 0.047 -9.665 1.00 64.34 H new ATOM 0 HA TYR A 59 6.162 -2.728 -9.459 1.00 74.15 H new ATOM 0 HB2 TYR A 59 4.909 -1.126 -7.935 1.00 21.31 H new ATOM 0 HB3 TYR A 59 3.624 -1.085 -9.126 1.00 21.31 H new ATOM 0 HD1 TYR A 59 5.316 -3.156 -6.595 1.00 55.44 H new ATOM 0 HD2 TYR A 59 2.126 -3.010 -9.424 1.00 22.35 H new ATOM 0 HE1 TYR A 59 4.308 -5.139 -5.561 1.00 0.14 H new ATOM 0 HE2 TYR A 59 1.122 -5.002 -8.389 1.00 3.11 H new ATOM 0 HH TYR A 59 1.144 -6.118 -6.138 1.00 22.11 H new ATOM 1053 N GLY A 60 4.152 -1.742 -11.866 1.00 52.13 N ATOM 1054 CA GLY A 60 3.421 -2.201 -13.034 1.00 61.34 C ATOM 1055 C GLY A 60 4.323 -2.523 -14.212 1.00 42.44 C ATOM 1056 O GLY A 60 3.844 -2.821 -15.305 1.00 14.03 O ATOM 0 H GLY A 60 4.175 -0.729 -11.749 1.00 52.13 H new ATOM 0 HA2 GLY A 60 2.847 -3.089 -12.770 1.00 61.34 H new ATOM 0 HA3 GLY A 60 2.705 -1.435 -13.331 1.00 61.34 H new ATOM 1060 N LEU A 61 5.629 -2.443 -14.002 1.00 5.13 N ATOM 1061 CA LEU A 61 6.589 -2.836 -15.025 1.00 44.43 C ATOM 1062 C LEU A 61 6.959 -4.303 -14.869 1.00 73.11 C ATOM 1063 O LEU A 61 7.641 -4.878 -15.719 1.00 43.31 O ATOM 1064 CB LEU A 61 7.848 -1.970 -14.951 1.00 23.02 C ATOM 1065 CG LEU A 61 7.643 -0.491 -15.276 1.00 30.44 C ATOM 1066 CD1 LEU A 61 8.937 0.282 -15.084 1.00 20.54 C ATOM 1067 CD2 LEU A 61 7.131 -0.325 -16.697 1.00 54.23 C ATOM 0 H LEU A 61 6.048 -2.110 -13.134 1.00 5.13 H new ATOM 0 HA LEU A 61 6.124 -2.689 -16.000 1.00 44.43 H new ATOM 0 HB2 LEU A 61 8.266 -2.050 -13.947 1.00 23.02 H new ATOM 0 HB3 LEU A 61 8.590 -2.377 -15.638 1.00 23.02 H new ATOM 0 HG LEU A 61 6.897 -0.089 -14.591 1.00 30.44 H new ATOM 0 HD11 LEU A 61 8.771 1.333 -15.320 1.00 20.54 H new ATOM 0 HD12 LEU A 61 9.266 0.190 -14.049 1.00 20.54 H new ATOM 0 HD13 LEU A 61 9.704 -0.122 -15.745 1.00 20.54 H new ATOM 0 HD21 LEU A 61 6.991 0.734 -16.912 1.00 54.23 H new ATOM 0 HD22 LEU A 61 7.855 -0.744 -17.396 1.00 54.23 H new ATOM 0 HD23 LEU A 61 6.180 -0.846 -16.804 1.00 54.23 H new ATOM 1079 N THR A 62 6.511 -4.903 -13.773 1.00 70.13 N ATOM 1080 CA THR A 62 6.801 -6.302 -13.497 1.00 3.01 C ATOM 1081 C THR A 62 5.563 -7.047 -13.003 1.00 12.24 C ATOM 1082 O THR A 62 5.642 -8.214 -12.624 1.00 12.01 O ATOM 1083 CB THR A 62 7.918 -6.429 -12.446 1.00 54.43 C ATOM 1084 OG1 THR A 62 7.698 -5.479 -11.392 1.00 35.22 O ATOM 1085 CG2 THR A 62 9.289 -6.207 -13.071 1.00 41.14 C ATOM 0 H THR A 62 5.945 -4.441 -13.061 1.00 70.13 H new ATOM 0 HA THR A 62 7.127 -6.751 -14.435 1.00 3.01 H new ATOM 0 HB THR A 62 7.894 -7.439 -12.038 1.00 54.43 H new ATOM 0 HG1 THR A 62 6.891 -5.724 -10.894 1.00 35.22 H new ATOM 0 HG21 THR A 62 10.058 -6.303 -12.305 1.00 41.14 H new ATOM 0 HG22 THR A 62 9.458 -6.950 -13.850 1.00 41.14 H new ATOM 0 HG23 THR A 62 9.333 -5.209 -13.506 1.00 41.14 H new ATOM 1093 N HIS A 63 4.417 -6.374 -13.007 1.00 45.05 N ATOM 1094 CA HIS A 63 3.185 -6.966 -12.496 1.00 24.03 C ATOM 1095 C HIS A 63 2.003 -6.619 -13.386 1.00 34.12 C ATOM 1096 O HIS A 63 2.025 -5.612 -14.095 1.00 41.32 O ATOM 1097 CB HIS A 63 2.913 -6.497 -11.064 1.00 1.44 C ATOM 1098 CG HIS A 63 3.903 -7.016 -10.069 1.00 54.54 C ATOM 1099 ND1 HIS A 63 5.091 -6.377 -9.784 1.00 24.14 N ATOM 1100 CD2 HIS A 63 3.882 -8.126 -9.298 1.00 34.14 C ATOM 1101 CE1 HIS A 63 5.755 -7.074 -8.882 1.00 71.31 C ATOM 1102 NE2 HIS A 63 5.043 -8.138 -8.571 1.00 34.20 N ATOM 0 H HIS A 63 4.315 -5.421 -13.357 1.00 45.05 H new ATOM 0 HA HIS A 63 3.313 -8.048 -12.495 1.00 24.03 H new ATOM 0 HB2 HIS A 63 2.921 -5.407 -11.039 1.00 1.44 H new ATOM 0 HB3 HIS A 63 1.913 -6.815 -10.770 1.00 1.44 H new ATOM 0 HD2 HIS A 63 3.096 -8.866 -9.262 1.00 34.14 H new ATOM 0 HE1 HIS A 63 6.719 -6.816 -8.469 1.00 71.31 H new ATOM 0 HE2 HIS A 63 5.313 -8.855 -7.898 1.00 34.20 H new ATOM 1111 N SER A 64 0.975 -7.452 -13.330 1.00 73.25 N ATOM 1112 CA SER A 64 -0.217 -7.269 -14.143 1.00 1.12 C ATOM 1113 C SER A 64 -1.003 -6.048 -13.675 1.00 61.14 C ATOM 1114 O SER A 64 -0.875 -5.613 -12.524 1.00 10.34 O ATOM 1115 CB SER A 64 -1.093 -8.526 -14.073 1.00 11.11 C ATOM 1116 OG SER A 64 -2.190 -8.452 -14.970 1.00 60.25 O ATOM 0 H SER A 64 0.944 -8.271 -12.722 1.00 73.25 H new ATOM 0 HA SER A 64 0.086 -7.104 -15.177 1.00 1.12 H new ATOM 0 HB2 SER A 64 -0.490 -9.403 -14.307 1.00 11.11 H new ATOM 0 HB3 SER A 64 -1.463 -8.656 -13.056 1.00 11.11 H new ATOM 0 HG SER A 64 -2.725 -9.270 -14.900 1.00 60.25 H new ATOM 1122 N TYR A 65 -1.820 -5.504 -14.570 1.00 22.21 N ATOM 1123 CA TYR A 65 -2.618 -4.320 -14.273 1.00 4.13 C ATOM 1124 C TYR A 65 -3.556 -4.574 -13.104 1.00 52.32 C ATOM 1125 O TYR A 65 -3.767 -3.703 -12.258 1.00 22.32 O ATOM 1126 CB TYR A 65 -3.426 -3.892 -15.500 1.00 61.13 C ATOM 1127 CG TYR A 65 -4.327 -2.700 -15.246 1.00 14.12 C ATOM 1128 CD1 TYR A 65 -3.829 -1.404 -15.302 1.00 23.21 C ATOM 1129 CD2 TYR A 65 -5.677 -2.872 -14.952 1.00 11.45 C ATOM 1130 CE1 TYR A 65 -4.647 -0.312 -15.075 1.00 5.44 C ATOM 1131 CE2 TYR A 65 -6.500 -1.785 -14.722 1.00 11.13 C ATOM 1132 CZ TYR A 65 -5.982 -0.509 -14.788 1.00 34.22 C ATOM 1133 OH TYR A 65 -6.802 0.575 -14.570 1.00 24.13 O ATOM 0 H TYR A 65 -1.947 -5.868 -15.514 1.00 22.21 H new ATOM 0 HA TYR A 65 -1.932 -3.518 -14.002 1.00 4.13 H new ATOM 0 HB2 TYR A 65 -2.739 -3.652 -16.311 1.00 61.13 H new ATOM 0 HB3 TYR A 65 -4.034 -4.732 -15.836 1.00 61.13 H new ATOM 0 HD1 TYR A 65 -2.784 -1.247 -15.527 1.00 23.21 H new ATOM 0 HD2 TYR A 65 -6.088 -3.870 -14.903 1.00 11.45 H new ATOM 0 HE1 TYR A 65 -4.243 0.689 -15.122 1.00 5.44 H new ATOM 0 HE2 TYR A 65 -7.544 -1.935 -14.492 1.00 11.13 H new ATOM 0 HH TYR A 65 -7.712 0.264 -14.382 1.00 24.13 H new ATOM 1143 N GLU A 66 -4.113 -5.770 -13.051 1.00 32.24 N ATOM 1144 CA GLU A 66 -5.044 -6.116 -11.996 1.00 72.05 C ATOM 1145 C GLU A 66 -4.340 -6.103 -10.646 1.00 72.23 C ATOM 1146 O GLU A 66 -4.914 -5.703 -9.633 1.00 0.44 O ATOM 1147 CB GLU A 66 -5.655 -7.488 -12.253 1.00 14.32 C ATOM 1148 CG GLU A 66 -6.879 -7.756 -11.402 1.00 14.02 C ATOM 1149 CD GLU A 66 -7.304 -9.208 -11.433 1.00 22.43 C ATOM 1150 OE1 GLU A 66 -6.435 -10.089 -11.262 1.00 3.35 O ATOM 1151 OE2 GLU A 66 -8.511 -9.481 -11.603 1.00 43.22 O ATOM 0 H GLU A 66 -3.937 -6.515 -13.725 1.00 32.24 H new ATOM 0 HA GLU A 66 -5.843 -5.375 -11.985 1.00 72.05 H new ATOM 0 HB2 GLU A 66 -5.926 -7.568 -13.306 1.00 14.32 H new ATOM 0 HB3 GLU A 66 -4.907 -8.256 -12.057 1.00 14.32 H new ATOM 0 HG2 GLU A 66 -6.672 -7.464 -10.372 1.00 14.02 H new ATOM 0 HG3 GLU A 66 -7.703 -7.133 -11.751 1.00 14.02 H new ATOM 1158 N THR A 67 -3.081 -6.521 -10.649 1.00 0.04 N ATOM 1159 CA THR A 67 -2.288 -6.579 -9.435 1.00 72.41 C ATOM 1160 C THR A 67 -1.937 -5.175 -8.944 1.00 1.15 C ATOM 1161 O THR A 67 -2.068 -4.876 -7.757 1.00 32.34 O ATOM 1162 CB THR A 67 -0.997 -7.387 -9.665 1.00 42.23 C ATOM 1163 OG1 THR A 67 -1.315 -8.630 -10.309 1.00 43.23 O ATOM 1164 CG2 THR A 67 -0.287 -7.668 -8.348 1.00 11.52 C ATOM 0 H THR A 67 -2.587 -6.826 -11.487 1.00 0.04 H new ATOM 0 HA THR A 67 -2.886 -7.077 -8.672 1.00 72.41 H new ATOM 0 HB THR A 67 -0.333 -6.799 -10.298 1.00 42.23 H new ATOM 0 HG1 THR A 67 -0.492 -9.142 -10.456 1.00 43.23 H new ATOM 0 HG21 THR A 67 0.621 -8.240 -8.539 1.00 11.52 H new ATOM 0 HG22 THR A 67 -0.028 -6.725 -7.866 1.00 11.52 H new ATOM 0 HG23 THR A 67 -0.945 -8.240 -7.695 1.00 11.52 H new ATOM 1172 N ILE A 68 -1.512 -4.309 -9.861 1.00 14.25 N ATOM 1173 CA ILE A 68 -1.146 -2.946 -9.493 1.00 2.44 C ATOM 1174 C ILE A 68 -2.383 -2.142 -9.085 1.00 64.23 C ATOM 1175 O ILE A 68 -2.321 -1.299 -8.189 1.00 74.32 O ATOM 1176 CB ILE A 68 -0.378 -2.215 -10.626 1.00 21.14 C ATOM 1177 CG1 ILE A 68 0.049 -0.819 -10.164 1.00 21.31 C ATOM 1178 CG2 ILE A 68 -1.215 -2.125 -11.892 1.00 14.02 C ATOM 1179 CD1 ILE A 68 0.715 0.002 -11.244 1.00 71.43 C ATOM 0 H ILE A 68 -1.414 -4.524 -10.853 1.00 14.25 H new ATOM 0 HA ILE A 68 -0.473 -3.020 -8.639 1.00 2.44 H new ATOM 0 HB ILE A 68 0.514 -2.797 -10.858 1.00 21.14 H new ATOM 0 HG12 ILE A 68 -0.828 -0.282 -9.801 1.00 21.31 H new ATOM 0 HG13 ILE A 68 0.734 -0.918 -9.322 1.00 21.31 H new ATOM 0 HG21 ILE A 68 -0.649 -1.608 -12.666 1.00 14.02 H new ATOM 0 HG22 ILE A 68 -1.465 -3.129 -12.235 1.00 14.02 H new ATOM 0 HG23 ILE A 68 -2.132 -1.574 -11.684 1.00 14.02 H new ATOM 0 HD11 ILE A 68 0.989 0.978 -10.842 1.00 71.43 H new ATOM 0 HD12 ILE A 68 1.611 -0.512 -11.592 1.00 71.43 H new ATOM 0 HD13 ILE A 68 0.026 0.134 -12.078 1.00 71.43 H new ATOM 1191 N ARG A 69 -3.512 -2.412 -9.736 1.00 61.21 N ATOM 1192 CA ARG A 69 -4.771 -1.773 -9.371 1.00 75.30 C ATOM 1193 C ARG A 69 -5.180 -2.192 -7.968 1.00 72.43 C ATOM 1194 O ARG A 69 -5.600 -1.365 -7.154 1.00 35.00 O ATOM 1195 CB ARG A 69 -5.881 -2.147 -10.354 1.00 41.13 C ATOM 1196 CG ARG A 69 -7.243 -1.605 -9.949 1.00 65.53 C ATOM 1197 CD ARG A 69 -8.350 -2.144 -10.833 1.00 11.53 C ATOM 1198 NE ARG A 69 -9.669 -1.722 -10.371 1.00 2.40 N ATOM 1199 CZ ARG A 69 -10.793 -1.904 -11.060 1.00 14.53 C ATOM 1200 NH1 ARG A 69 -10.764 -2.534 -12.232 1.00 2.40 N ATOM 1201 NH2 ARG A 69 -11.947 -1.470 -10.563 1.00 63.20 N ATOM 0 H ARG A 69 -3.580 -3.066 -10.516 1.00 61.21 H new ATOM 0 HA ARG A 69 -4.623 -0.694 -9.404 1.00 75.30 H new ATOM 0 HB2 ARG A 69 -5.625 -1.768 -11.343 1.00 41.13 H new ATOM 0 HB3 ARG A 69 -5.937 -3.233 -10.433 1.00 41.13 H new ATOM 0 HG2 ARG A 69 -7.445 -1.870 -8.911 1.00 65.53 H new ATOM 0 HG3 ARG A 69 -7.232 -0.516 -10.004 1.00 65.53 H new ATOM 0 HD2 ARG A 69 -8.197 -1.801 -11.856 1.00 11.53 H new ATOM 0 HD3 ARG A 69 -8.303 -3.233 -10.851 1.00 11.53 H new ATOM 0 HE ARG A 69 -9.733 -1.259 -9.464 1.00 2.40 H new ATOM 0 HH11 ARG A 69 -9.879 -2.879 -12.604 1.00 2.40 H new ATOM 0 HH12 ARG A 69 -11.627 -2.672 -12.758 1.00 2.40 H new ATOM 0 HH21 ARG A 69 -11.968 -1.000 -9.658 1.00 63.20 H new ATOM 0 HH22 ARG A 69 -12.811 -1.607 -11.087 1.00 63.20 H new ATOM 1215 N LYS A 70 -5.058 -3.485 -7.701 1.00 1.12 N ATOM 1216 CA LYS A 70 -5.395 -4.042 -6.403 1.00 32.22 C ATOM 1217 C LYS A 70 -4.497 -3.425 -5.329 1.00 44.35 C ATOM 1218 O LYS A 70 -4.970 -3.015 -4.270 1.00 12.02 O ATOM 1219 CB LYS A 70 -5.250 -5.567 -6.454 1.00 11.21 C ATOM 1220 CG LYS A 70 -6.000 -6.303 -5.360 1.00 42.04 C ATOM 1221 CD LYS A 70 -6.039 -7.802 -5.626 1.00 42.24 C ATOM 1222 CE LYS A 70 -6.840 -8.125 -6.881 1.00 70.44 C ATOM 1223 NZ LYS A 70 -6.944 -9.588 -7.127 1.00 42.10 N ATOM 0 H LYS A 70 -4.724 -4.173 -8.376 1.00 1.12 H new ATOM 0 HA LYS A 70 -6.428 -3.807 -6.148 1.00 32.22 H new ATOM 0 HB2 LYS A 70 -5.603 -5.922 -7.422 1.00 11.21 H new ATOM 0 HB3 LYS A 70 -4.192 -5.822 -6.388 1.00 11.21 H new ATOM 0 HG2 LYS A 70 -5.522 -6.115 -4.399 1.00 42.04 H new ATOM 0 HG3 LYS A 70 -7.017 -5.917 -5.291 1.00 42.04 H new ATOM 0 HD2 LYS A 70 -5.022 -8.180 -5.734 1.00 42.24 H new ATOM 0 HD3 LYS A 70 -6.480 -8.313 -4.770 1.00 42.24 H new ATOM 0 HE2 LYS A 70 -7.841 -7.703 -6.789 1.00 70.44 H new ATOM 0 HE3 LYS A 70 -6.371 -7.647 -7.741 1.00 70.44 H new ATOM 0 HZ1 LYS A 70 -7.512 -9.757 -7.982 1.00 42.10 H new ATOM 0 HZ2 LYS A 70 -5.992 -9.986 -7.259 1.00 42.10 H new ATOM 0 HZ3 LYS A 70 -7.401 -10.045 -6.312 1.00 42.10 H new ATOM 1237 N LEU A 71 -3.204 -3.345 -5.637 1.00 31.44 N ATOM 1238 CA LEU A 71 -2.229 -2.649 -4.798 1.00 43.53 C ATOM 1239 C LEU A 71 -2.667 -1.208 -4.514 1.00 40.03 C ATOM 1240 O LEU A 71 -2.775 -0.800 -3.356 1.00 65.34 O ATOM 1241 CB LEU A 71 -0.865 -2.644 -5.499 1.00 41.32 C ATOM 1242 CG LEU A 71 0.180 -1.696 -4.907 1.00 73.11 C ATOM 1243 CD1 LEU A 71 0.645 -2.184 -3.547 1.00 41.41 C ATOM 1244 CD2 LEU A 71 1.356 -1.544 -5.857 1.00 21.31 C ATOM 0 H LEU A 71 -2.802 -3.761 -6.477 1.00 31.44 H new ATOM 0 HA LEU A 71 -2.158 -3.175 -3.846 1.00 43.53 H new ATOM 0 HB2 LEU A 71 -0.463 -3.657 -5.479 1.00 41.32 H new ATOM 0 HB3 LEU A 71 -1.016 -2.381 -6.546 1.00 41.32 H new ATOM 0 HG LEU A 71 -0.282 -0.718 -4.772 1.00 73.11 H new ATOM 0 HD11 LEU A 71 1.387 -1.493 -3.147 1.00 41.41 H new ATOM 0 HD12 LEU A 71 -0.206 -2.235 -2.868 1.00 41.41 H new ATOM 0 HD13 LEU A 71 1.088 -3.175 -3.648 1.00 41.41 H new ATOM 0 HD21 LEU A 71 2.090 -0.867 -5.421 1.00 21.31 H new ATOM 0 HD22 LEU A 71 1.816 -2.518 -6.026 1.00 21.31 H new ATOM 0 HD23 LEU A 71 1.007 -1.138 -6.806 1.00 21.31 H new ATOM 1256 N ASN A 72 -2.904 -0.447 -5.583 1.00 53.41 N ATOM 1257 CA ASN A 72 -3.356 0.946 -5.481 1.00 13.14 C ATOM 1258 C ASN A 72 -4.564 1.071 -4.560 1.00 44.55 C ATOM 1259 O ASN A 72 -4.619 1.960 -3.710 1.00 71.15 O ATOM 1260 CB ASN A 72 -3.712 1.489 -6.871 1.00 33.11 C ATOM 1261 CG ASN A 72 -4.429 2.829 -6.821 1.00 62.21 C ATOM 1262 OD1 ASN A 72 -5.657 2.886 -6.732 1.00 52.21 O ATOM 1263 ND2 ASN A 72 -3.674 3.918 -6.897 1.00 60.33 N ATOM 0 H ASN A 72 -2.789 -0.775 -6.542 1.00 53.41 H new ATOM 0 HA ASN A 72 -2.539 1.531 -5.058 1.00 13.14 H new ATOM 0 HB2 ASN A 72 -2.800 1.593 -7.459 1.00 33.11 H new ATOM 0 HB3 ASN A 72 -4.343 0.765 -7.387 1.00 33.11 H new ATOM 0 HD21 ASN A 72 -4.108 4.841 -6.883 1.00 60.33 H new ATOM 0 HD22 ASN A 72 -2.660 3.832 -6.970 1.00 60.33 H new ATOM 1270 N SER A 73 -5.516 0.164 -4.729 1.00 2.11 N ATOM 1271 CA SER A 73 -6.745 0.182 -3.948 1.00 70.43 C ATOM 1272 C SER A 73 -6.447 0.065 -2.453 1.00 20.24 C ATOM 1273 O SER A 73 -7.046 0.770 -1.641 1.00 31.31 O ATOM 1274 CB SER A 73 -7.666 -0.952 -4.405 1.00 45.53 C ATOM 1275 OG SER A 73 -7.949 -0.848 -5.795 1.00 74.31 O ATOM 0 H SER A 73 -5.460 -0.598 -5.405 1.00 2.11 H new ATOM 0 HA SER A 73 -7.247 1.135 -4.112 1.00 70.43 H new ATOM 0 HB2 SER A 73 -7.197 -1.913 -4.196 1.00 45.53 H new ATOM 0 HB3 SER A 73 -8.596 -0.922 -3.837 1.00 45.53 H new ATOM 0 HG SER A 73 -7.160 -1.117 -6.310 1.00 74.31 H new ATOM 1281 N TYR A 74 -5.500 -0.801 -2.103 1.00 33.01 N ATOM 1282 CA TYR A 74 -5.118 -0.999 -0.708 1.00 22.33 C ATOM 1283 C TYR A 74 -4.541 0.279 -0.117 1.00 31.10 C ATOM 1284 O TYR A 74 -5.007 0.770 0.912 1.00 25.34 O ATOM 1285 CB TYR A 74 -4.073 -2.108 -0.582 1.00 24.14 C ATOM 1286 CG TYR A 74 -4.517 -3.456 -1.096 1.00 21.50 C ATOM 1287 CD1 TYR A 74 -5.833 -3.878 -0.967 1.00 42.03 C ATOM 1288 CD2 TYR A 74 -3.606 -4.316 -1.693 1.00 32.25 C ATOM 1289 CE1 TYR A 74 -6.229 -5.118 -1.424 1.00 51.22 C ATOM 1290 CE2 TYR A 74 -3.991 -5.559 -2.148 1.00 34.23 C ATOM 1291 CZ TYR A 74 -5.305 -5.958 -2.007 1.00 54.25 C ATOM 1292 OH TYR A 74 -5.696 -7.202 -2.440 1.00 3.12 O ATOM 0 H TYR A 74 -4.983 -1.377 -2.767 1.00 33.01 H new ATOM 0 HA TYR A 74 -6.019 -1.280 -0.163 1.00 22.33 H new ATOM 0 HB2 TYR A 74 -3.176 -1.806 -1.122 1.00 24.14 H new ATOM 0 HB3 TYR A 74 -3.794 -2.208 0.467 1.00 24.14 H new ATOM 0 HD1 TYR A 74 -6.558 -3.226 -0.502 1.00 42.03 H new ATOM 0 HD2 TYR A 74 -2.577 -4.006 -1.803 1.00 32.25 H new ATOM 0 HE1 TYR A 74 -7.259 -5.429 -1.325 1.00 51.22 H new ATOM 0 HE2 TYR A 74 -3.270 -6.216 -2.611 1.00 34.23 H new ATOM 0 HH TYR A 74 -6.637 -7.173 -2.711 1.00 3.12 H new ATOM 1302 N ILE A 75 -3.527 0.817 -0.782 1.00 64.53 N ATOM 1303 CA ILE A 75 -2.814 1.985 -0.286 1.00 42.52 C ATOM 1304 C ILE A 75 -3.738 3.198 -0.220 1.00 31.21 C ATOM 1305 O ILE A 75 -3.694 3.977 0.735 1.00 20.24 O ATOM 1306 CB ILE A 75 -1.597 2.311 -1.170 1.00 1.43 C ATOM 1307 CG1 ILE A 75 -0.728 1.064 -1.365 1.00 44.51 C ATOM 1308 CG2 ILE A 75 -0.781 3.426 -0.539 1.00 73.33 C ATOM 1309 CD1 ILE A 75 0.437 1.273 -2.310 1.00 75.24 C ATOM 0 H ILE A 75 -3.179 0.460 -1.672 1.00 64.53 H new ATOM 0 HA ILE A 75 -2.463 1.750 0.719 1.00 42.52 H new ATOM 0 HB ILE A 75 -1.952 2.641 -2.146 1.00 1.43 H new ATOM 0 HG12 ILE A 75 -0.345 0.744 -0.396 1.00 44.51 H new ATOM 0 HG13 ILE A 75 -1.351 0.254 -1.745 1.00 44.51 H new ATOM 0 HG21 ILE A 75 0.078 3.650 -1.171 1.00 73.33 H new ATOM 0 HG22 ILE A 75 -1.400 4.318 -0.438 1.00 73.33 H new ATOM 0 HG23 ILE A 75 -0.435 3.111 0.446 1.00 73.33 H new ATOM 0 HD11 ILE A 75 1.005 0.347 -2.397 1.00 75.24 H new ATOM 0 HD12 ILE A 75 0.062 1.562 -3.292 1.00 75.24 H new ATOM 0 HD13 ILE A 75 1.083 2.060 -1.922 1.00 75.24 H new ATOM 1321 N ARG A 76 -4.586 3.342 -1.231 1.00 11.24 N ATOM 1322 CA ARG A 76 -5.566 4.417 -1.262 1.00 24.31 C ATOM 1323 C ARG A 76 -6.496 4.327 -0.054 1.00 15.45 C ATOM 1324 O ARG A 76 -6.774 5.331 0.597 1.00 24.23 O ATOM 1325 CB ARG A 76 -6.358 4.365 -2.573 1.00 10.40 C ATOM 1326 CG ARG A 76 -7.627 5.202 -2.569 1.00 10.54 C ATOM 1327 CD ARG A 76 -8.250 5.275 -3.954 1.00 12.43 C ATOM 1328 NE ARG A 76 -7.707 6.385 -4.740 1.00 32.12 N ATOM 1329 CZ ARG A 76 -7.865 6.524 -6.055 1.00 5.33 C ATOM 1330 NH1 ARG A 76 -8.441 5.565 -6.770 1.00 74.14 N ATOM 1331 NH2 ARG A 76 -7.421 7.618 -6.659 1.00 52.31 N ATOM 0 H ARG A 76 -4.613 2.725 -2.042 1.00 11.24 H new ATOM 0 HA ARG A 76 -5.046 5.374 -1.212 1.00 24.31 H new ATOM 0 HB2 ARG A 76 -5.716 4.704 -3.386 1.00 10.40 H new ATOM 0 HB3 ARG A 76 -6.621 3.329 -2.785 1.00 10.40 H new ATOM 0 HG2 ARG A 76 -8.344 4.774 -1.868 1.00 10.54 H new ATOM 0 HG3 ARG A 76 -7.399 6.208 -2.218 1.00 10.54 H new ATOM 0 HD2 ARG A 76 -8.074 4.337 -4.481 1.00 12.43 H new ATOM 0 HD3 ARG A 76 -9.330 5.391 -3.861 1.00 12.43 H new ATOM 0 HE ARG A 76 -7.172 7.100 -4.247 1.00 32.12 H new ATOM 0 HH11 ARG A 76 -8.767 4.713 -6.313 1.00 74.14 H new ATOM 0 HH12 ARG A 76 -8.558 5.680 -7.777 1.00 74.14 H new ATOM 0 HH21 ARG A 76 -6.961 8.349 -6.117 1.00 52.31 H new ATOM 0 HH22 ARG A 76 -7.540 7.729 -7.666 1.00 52.31 H new ATOM 1345 N ASN A 77 -6.942 3.115 0.260 1.00 31.14 N ATOM 1346 CA ASN A 77 -7.821 2.895 1.406 1.00 30.34 C ATOM 1347 C ASN A 77 -7.088 3.147 2.721 1.00 2.24 C ATOM 1348 O ASN A 77 -7.680 3.631 3.688 1.00 54.32 O ATOM 1349 CB ASN A 77 -8.386 1.472 1.386 1.00 63.12 C ATOM 1350 CG ASN A 77 -9.594 1.329 0.476 1.00 0.22 C ATOM 1351 OD1 ASN A 77 -10.407 2.373 0.396 1.00 61.05 O flip ATOM 1352 ND2 ASN A 77 -9.807 0.281 -0.132 1.00 44.03 N flip ATOM 0 H ASN A 77 -6.710 2.270 -0.262 1.00 31.14 H new ATOM 0 HA ASN A 77 -8.645 3.604 1.332 1.00 30.34 H new ATOM 0 HB2 ASN A 77 -7.608 0.782 1.060 1.00 63.12 H new ATOM 0 HB3 ASN A 77 -8.664 1.183 2.399 1.00 63.12 H new ATOM 0 HD21 ASN A 77 -9.157 -0.500 -0.045 1.00 44.03 H new ATOM 0 HD22 ASN A 77 -10.633 0.193 -0.724 1.00 44.03 H new ATOM 1359 N ALA A 78 -5.799 2.828 2.746 1.00 64.05 N ATOM 1360 CA ALA A 78 -4.981 3.027 3.936 1.00 12.14 C ATOM 1361 C ALA A 78 -4.791 4.514 4.228 1.00 41.40 C ATOM 1362 O ALA A 78 -4.944 4.955 5.370 1.00 11.44 O ATOM 1363 CB ALA A 78 -3.637 2.336 3.772 1.00 22.30 C ATOM 0 H ALA A 78 -5.297 2.429 1.953 1.00 64.05 H new ATOM 0 HA ALA A 78 -5.500 2.583 4.786 1.00 12.14 H new ATOM 0 HB1 ALA A 78 -3.036 2.492 4.668 1.00 22.30 H new ATOM 0 HB2 ALA A 78 -3.793 1.268 3.622 1.00 22.30 H new ATOM 0 HB3 ALA A 78 -3.117 2.752 2.909 1.00 22.30 H new ATOM 1369 N PHE A 79 -4.461 5.284 3.193 1.00 23.52 N ATOM 1370 CA PHE A 79 -4.310 6.728 3.339 1.00 65.40 C ATOM 1371 C PHE A 79 -5.651 7.389 3.629 1.00 43.12 C ATOM 1372 O PHE A 79 -5.729 8.329 4.416 1.00 44.22 O ATOM 1373 CB PHE A 79 -3.688 7.355 2.087 1.00 63.14 C ATOM 1374 CG PHE A 79 -2.186 7.279 2.046 1.00 52.43 C ATOM 1375 CD1 PHE A 79 -1.421 7.942 2.994 1.00 24.02 C ATOM 1376 CD2 PHE A 79 -1.539 6.553 1.061 1.00 33.14 C ATOM 1377 CE1 PHE A 79 -0.041 7.880 2.958 1.00 64.23 C ATOM 1378 CE2 PHE A 79 -0.159 6.490 1.019 1.00 70.44 C ATOM 1379 CZ PHE A 79 0.590 7.152 1.970 1.00 2.33 C ATOM 0 H PHE A 79 -4.294 4.934 2.250 1.00 23.52 H new ATOM 0 HA PHE A 79 -3.640 6.898 4.182 1.00 65.40 H new ATOM 0 HB2 PHE A 79 -4.091 6.857 1.205 1.00 63.14 H new ATOM 0 HB3 PHE A 79 -3.990 8.401 2.028 1.00 63.14 H new ATOM 0 HD1 PHE A 79 -1.910 8.513 3.769 1.00 24.02 H new ATOM 0 HD2 PHE A 79 -2.120 6.029 0.316 1.00 33.14 H new ATOM 0 HE1 PHE A 79 0.543 8.401 3.702 1.00 64.23 H new ATOM 0 HE2 PHE A 79 0.333 5.923 0.242 1.00 70.44 H new ATOM 0 HZ PHE A 79 1.668 7.101 1.941 1.00 2.33 H new ATOM 1389 N ASP A 80 -6.707 6.886 2.998 1.00 51.21 N ATOM 1390 CA ASP A 80 -8.046 7.427 3.200 1.00 24.42 C ATOM 1391 C ASP A 80 -8.454 7.314 4.666 1.00 31.24 C ATOM 1392 O ASP A 80 -9.080 8.214 5.216 1.00 3.43 O ATOM 1393 CB ASP A 80 -9.059 6.698 2.312 1.00 64.43 C ATOM 1394 CG ASP A 80 -10.434 7.338 2.336 1.00 65.45 C ATOM 1395 OD1 ASP A 80 -10.661 8.298 1.568 1.00 21.05 O ATOM 1396 OD2 ASP A 80 -11.300 6.874 3.107 1.00 11.53 O ATOM 0 H ASP A 80 -6.661 6.105 2.343 1.00 51.21 H new ATOM 0 HA ASP A 80 -8.034 8.481 2.923 1.00 24.42 H new ATOM 0 HB2 ASP A 80 -8.690 6.681 1.287 1.00 64.43 H new ATOM 0 HB3 ASP A 80 -9.141 5.661 2.638 1.00 64.43 H new ATOM 1401 N ASP A 81 -8.081 6.213 5.304 1.00 53.44 N ATOM 1402 CA ASP A 81 -8.359 6.038 6.725 1.00 22.33 C ATOM 1403 C ASP A 81 -7.525 7.012 7.551 1.00 54.35 C ATOM 1404 O ASP A 81 -8.016 7.609 8.508 1.00 42.31 O ATOM 1405 CB ASP A 81 -8.068 4.602 7.164 1.00 50.45 C ATOM 1406 CG ASP A 81 -8.505 4.335 8.594 1.00 3.11 C ATOM 1407 OD1 ASP A 81 -7.703 4.556 9.521 1.00 73.12 O ATOM 1408 OD2 ASP A 81 -9.661 3.904 8.795 1.00 23.52 O ATOM 0 H ASP A 81 -7.590 5.434 4.866 1.00 53.44 H new ATOM 0 HA ASP A 81 -9.416 6.244 6.891 1.00 22.33 H new ATOM 0 HB2 ASP A 81 -8.579 3.910 6.495 1.00 50.45 H new ATOM 0 HB3 ASP A 81 -7.000 4.405 7.070 1.00 50.45 H new ATOM 1413 N ALA A 82 -6.270 7.186 7.153 1.00 54.52 N ATOM 1414 CA ALA A 82 -5.352 8.078 7.851 1.00 33.02 C ATOM 1415 C ALA A 82 -5.836 9.524 7.796 1.00 72.34 C ATOM 1416 O ALA A 82 -5.801 10.241 8.797 1.00 13.10 O ATOM 1417 CB ALA A 82 -3.960 7.963 7.251 1.00 40.22 C ATOM 0 H ALA A 82 -5.863 6.717 6.344 1.00 54.52 H new ATOM 0 HA ALA A 82 -5.316 7.778 8.898 1.00 33.02 H new ATOM 0 HB1 ALA A 82 -3.280 8.633 7.778 1.00 40.22 H new ATOM 0 HB2 ALA A 82 -3.606 6.937 7.348 1.00 40.22 H new ATOM 0 HB3 ALA A 82 -3.994 8.237 6.197 1.00 40.22 H new ATOM 1423 N ILE A 83 -6.296 9.948 6.627 1.00 11.44 N ATOM 1424 CA ILE A 83 -6.787 11.310 6.455 1.00 71.24 C ATOM 1425 C ILE A 83 -8.145 11.482 7.138 1.00 40.01 C ATOM 1426 O ILE A 83 -8.456 12.551 7.667 1.00 33.44 O ATOM 1427 CB ILE A 83 -6.874 11.706 4.963 1.00 31.30 C ATOM 1428 CG1 ILE A 83 -7.248 13.182 4.822 1.00 22.12 C ATOM 1429 CG2 ILE A 83 -7.866 10.831 4.212 1.00 20.33 C ATOM 1430 CD1 ILE A 83 -7.341 13.640 3.387 1.00 54.34 C ATOM 0 H ILE A 83 -6.340 9.372 5.786 1.00 11.44 H new ATOM 0 HA ILE A 83 -6.069 11.979 6.929 1.00 71.24 H new ATOM 0 HB ILE A 83 -5.891 11.549 4.520 1.00 31.30 H new ATOM 0 HG12 ILE A 83 -8.205 13.356 5.314 1.00 22.12 H new ATOM 0 HG13 ILE A 83 -6.507 13.789 5.342 1.00 22.12 H new ATOM 0 HG21 ILE A 83 -7.902 11.137 3.166 1.00 20.33 H new ATOM 0 HG22 ILE A 83 -7.552 9.789 4.275 1.00 20.33 H new ATOM 0 HG23 ILE A 83 -8.856 10.939 4.656 1.00 20.33 H new ATOM 0 HD11 ILE A 83 -7.610 14.696 3.359 1.00 54.34 H new ATOM 0 HD12 ILE A 83 -6.378 13.497 2.896 1.00 54.34 H new ATOM 0 HD13 ILE A 83 -8.102 13.058 2.868 1.00 54.34 H new ATOM 1442 N HIS A 84 -8.942 10.417 7.152 1.00 33.45 N ATOM 1443 CA HIS A 84 -10.207 10.417 7.887 1.00 52.31 C ATOM 1444 C HIS A 84 -9.946 10.568 9.379 1.00 33.12 C ATOM 1445 O HIS A 84 -10.753 11.132 10.116 1.00 4.53 O ATOM 1446 CB HIS A 84 -10.989 9.124 7.636 1.00 1.34 C ATOM 1447 CG HIS A 84 -11.807 9.123 6.380 1.00 62.23 C ATOM 1448 ND1 HIS A 84 -12.948 8.366 6.242 1.00 3.33 N ATOM 1449 CD2 HIS A 84 -11.641 9.766 5.200 1.00 10.11 C ATOM 1450 CE1 HIS A 84 -13.447 8.541 5.035 1.00 41.32 C ATOM 1451 NE2 HIS A 84 -12.675 9.386 4.379 1.00 70.21 N ATOM 0 H HIS A 84 -8.737 9.545 6.665 1.00 33.45 H new ATOM 0 HA HIS A 84 -10.801 11.259 7.532 1.00 52.31 H new ATOM 0 HB2 HIS A 84 -10.286 8.292 7.597 1.00 1.34 H new ATOM 0 HB3 HIS A 84 -11.649 8.944 8.484 1.00 1.34 H new ATOM 0 HD2 HIS A 84 -10.844 10.451 4.950 1.00 10.11 H new ATOM 0 HE1 HIS A 84 -14.339 8.071 4.648 1.00 41.32 H new ATOM 0 HE2 HIS A 84 -12.821 9.704 3.421 1.00 70.21 H new ATOM 1460 N GLU A 85 -8.798 10.067 9.807 1.00 74.43 N ATOM 1461 CA GLU A 85 -8.390 10.138 11.201 1.00 14.40 C ATOM 1462 C GLU A 85 -7.805 11.514 11.510 1.00 13.10 C ATOM 1463 O GLU A 85 -7.829 11.974 12.651 1.00 34.24 O ATOM 1464 CB GLU A 85 -7.345 9.052 11.480 1.00 72.15 C ATOM 1465 CG GLU A 85 -6.906 8.967 12.933 1.00 75.12 C ATOM 1466 CD GLU A 85 -7.964 8.365 13.831 1.00 61.25 C ATOM 1467 OE1 GLU A 85 -8.923 9.075 14.194 1.00 33.40 O ATOM 1468 OE2 GLU A 85 -7.836 7.172 14.181 1.00 71.25 O ATOM 0 H GLU A 85 -8.124 9.601 9.199 1.00 74.43 H new ATOM 0 HA GLU A 85 -9.260 9.978 11.838 1.00 14.40 H new ATOM 0 HB2 GLU A 85 -7.751 8.087 11.178 1.00 72.15 H new ATOM 0 HB3 GLU A 85 -6.469 9.238 10.858 1.00 72.15 H new ATOM 0 HG2 GLU A 85 -5.997 8.369 12.999 1.00 75.12 H new ATOM 0 HG3 GLU A 85 -6.657 9.966 13.292 1.00 75.12 H new ATOM 1475 N GLY A 86 -7.303 12.174 10.473 1.00 33.40 N ATOM 1476 CA GLY A 86 -6.579 13.416 10.665 1.00 35.53 C ATOM 1477 C GLY A 86 -5.163 13.137 11.112 1.00 25.11 C ATOM 1478 O GLY A 86 -4.522 13.959 11.765 1.00 62.14 O ATOM 0 H GLY A 86 -7.385 11.871 9.502 1.00 33.40 H new ATOM 0 HA2 GLY A 86 -6.568 13.985 9.736 1.00 35.53 H new ATOM 0 HA3 GLY A 86 -7.088 14.030 11.409 1.00 35.53 H new ATOM 1482 N TYR A 87 -4.682 11.961 10.737 1.00 55.41 N ATOM 1483 CA TYR A 87 -3.400 11.460 11.200 1.00 20.31 C ATOM 1484 C TYR A 87 -2.312 11.692 10.150 1.00 2.04 C ATOM 1485 O TYR A 87 -1.146 11.346 10.353 1.00 1.34 O ATOM 1486 CB TYR A 87 -3.544 9.967 11.520 1.00 15.32 C ATOM 1487 CG TYR A 87 -2.338 9.347 12.183 1.00 55.15 C ATOM 1488 CD1 TYR A 87 -1.918 9.764 13.437 1.00 30.44 C ATOM 1489 CD2 TYR A 87 -1.617 8.347 11.546 1.00 20.44 C ATOM 1490 CE1 TYR A 87 -0.813 9.200 14.041 1.00 32.54 C ATOM 1491 CE2 TYR A 87 -0.509 7.778 12.143 1.00 3.14 C ATOM 1492 CZ TYR A 87 -0.112 8.210 13.391 1.00 55.34 C ATOM 1493 OH TYR A 87 0.990 7.648 13.995 1.00 11.14 O ATOM 0 H TYR A 87 -5.171 11.329 10.103 1.00 55.41 H new ATOM 0 HA TYR A 87 -3.100 11.998 12.099 1.00 20.31 H new ATOM 0 HB2 TYR A 87 -4.409 9.830 12.168 1.00 15.32 H new ATOM 0 HB3 TYR A 87 -3.750 9.429 10.595 1.00 15.32 H new ATOM 0 HD1 TYR A 87 -2.464 10.542 13.949 1.00 30.44 H new ATOM 0 HD2 TYR A 87 -1.927 8.008 10.568 1.00 20.44 H new ATOM 0 HE1 TYR A 87 -0.500 9.534 15.019 1.00 32.54 H new ATOM 0 HE2 TYR A 87 0.043 7.000 11.636 1.00 3.14 H new ATOM 0 HH TYR A 87 0.915 6.671 13.968 1.00 11.14 H new ATOM 1503 N VAL A 88 -2.692 12.290 9.031 1.00 52.22 N ATOM 1504 CA VAL A 88 -1.748 12.574 7.962 1.00 3.24 C ATOM 1505 C VAL A 88 -2.263 13.736 7.105 1.00 42.20 C ATOM 1506 O VAL A 88 -3.325 14.295 7.393 1.00 2.02 O ATOM 1507 CB VAL A 88 -1.504 11.314 7.088 1.00 31.13 C ATOM 1508 CG1 VAL A 88 -2.680 11.044 6.160 1.00 45.04 C ATOM 1509 CG2 VAL A 88 -0.199 11.421 6.307 1.00 33.13 C ATOM 0 H VAL A 88 -3.649 12.588 8.840 1.00 52.22 H new ATOM 0 HA VAL A 88 -0.795 12.860 8.407 1.00 3.24 H new ATOM 0 HB VAL A 88 -1.415 10.463 7.763 1.00 31.13 H new ATOM 0 HG11 VAL A 88 -2.476 10.155 5.563 1.00 45.04 H new ATOM 0 HG12 VAL A 88 -3.581 10.884 6.752 1.00 45.04 H new ATOM 0 HG13 VAL A 88 -2.826 11.899 5.500 1.00 45.04 H new ATOM 0 HG21 VAL A 88 -0.060 10.522 5.706 1.00 33.13 H new ATOM 0 HG22 VAL A 88 -0.237 12.292 5.653 1.00 33.13 H new ATOM 0 HG23 VAL A 88 0.634 11.525 7.003 1.00 33.13 H new ATOM 1519 N ILE A 89 -1.504 14.106 6.079 1.00 15.41 N ATOM 1520 CA ILE A 89 -1.898 15.167 5.158 1.00 51.14 C ATOM 1521 C ILE A 89 -3.041 14.710 4.250 1.00 42.53 C ATOM 1522 O ILE A 89 -3.634 13.657 4.470 1.00 25.35 O ATOM 1523 CB ILE A 89 -0.704 15.609 4.288 1.00 24.42 C ATOM 1524 CG1 ILE A 89 -0.097 14.399 3.563 1.00 31.22 C ATOM 1525 CG2 ILE A 89 0.338 16.308 5.149 1.00 61.15 C ATOM 1526 CD1 ILE A 89 1.043 14.746 2.632 1.00 1.25 C ATOM 0 H ILE A 89 -0.602 13.681 5.863 1.00 15.41 H new ATOM 0 HA ILE A 89 -2.237 16.011 5.759 1.00 51.14 H new ATOM 0 HB ILE A 89 -1.054 16.314 3.534 1.00 24.42 H new ATOM 0 HG12 ILE A 89 0.259 13.685 4.306 1.00 31.22 H new ATOM 0 HG13 ILE A 89 -0.880 13.901 2.991 1.00 31.22 H new ATOM 0 HG21 ILE A 89 1.177 16.616 4.526 1.00 61.15 H new ATOM 0 HG22 ILE A 89 -0.107 17.185 5.618 1.00 61.15 H new ATOM 0 HG23 ILE A 89 0.691 15.624 5.920 1.00 61.15 H new ATOM 0 HD11 ILE A 89 1.416 13.837 2.159 1.00 1.25 H new ATOM 0 HD12 ILE A 89 0.690 15.435 1.865 1.00 1.25 H new ATOM 0 HD13 ILE A 89 1.846 15.216 3.200 1.00 1.25 H new ATOM 1538 N LYS A 90 -3.330 15.491 3.214 1.00 50.33 N ATOM 1539 CA LYS A 90 -4.434 15.181 2.308 1.00 73.42 C ATOM 1540 C LYS A 90 -4.024 14.170 1.235 1.00 0.12 C ATOM 1541 O LYS A 90 -4.436 14.270 0.078 1.00 31.24 O ATOM 1542 CB LYS A 90 -4.997 16.462 1.682 1.00 3.52 C ATOM 1543 CG LYS A 90 -3.951 17.433 1.154 1.00 20.21 C ATOM 1544 CD LYS A 90 -4.610 18.719 0.677 1.00 21.23 C ATOM 1545 CE LYS A 90 -3.594 19.796 0.334 1.00 1.34 C ATOM 1546 NZ LYS A 90 -2.771 19.440 -0.848 1.00 51.21 N ATOM 0 H LYS A 90 -2.818 16.341 2.980 1.00 50.33 H new ATOM 0 HA LYS A 90 -5.224 14.715 2.897 1.00 73.42 H new ATOM 0 HB2 LYS A 90 -5.662 16.187 0.863 1.00 3.52 H new ATOM 0 HB3 LYS A 90 -5.605 16.976 2.427 1.00 3.52 H new ATOM 0 HG2 LYS A 90 -3.227 17.657 1.937 1.00 20.21 H new ATOM 0 HG3 LYS A 90 -3.401 16.973 0.333 1.00 20.21 H new ATOM 0 HD2 LYS A 90 -5.222 18.507 -0.200 1.00 21.23 H new ATOM 0 HD3 LYS A 90 -5.281 19.090 1.452 1.00 21.23 H new ATOM 0 HE2 LYS A 90 -4.114 20.735 0.142 1.00 1.34 H new ATOM 0 HE3 LYS A 90 -2.941 19.963 1.191 1.00 1.34 H new ATOM 0 HZ1 LYS A 90 -2.094 20.205 -1.042 1.00 51.21 H new ATOM 0 HZ2 LYS A 90 -2.253 18.559 -0.658 1.00 51.21 H new ATOM 0 HZ3 LYS A 90 -3.389 19.307 -1.674 1.00 51.21 H new ATOM 1560 N ASN A 91 -3.236 13.182 1.661 1.00 74.31 N ATOM 1561 CA ASN A 91 -2.847 12.031 0.839 1.00 42.31 C ATOM 1562 C ASN A 91 -1.883 12.390 -0.289 1.00 42.31 C ATOM 1563 O ASN A 91 -2.094 13.344 -1.041 1.00 21.33 O ATOM 1564 CB ASN A 91 -4.073 11.312 0.261 1.00 11.41 C ATOM 1565 CG ASN A 91 -4.963 10.721 1.333 1.00 3.21 C ATOM 1566 OD1 ASN A 91 -4.514 10.430 2.439 1.00 22.31 O ATOM 1567 ND2 ASN A 91 -6.228 10.515 1.004 1.00 55.33 N ATOM 0 H ASN A 91 -2.843 13.157 2.602 1.00 74.31 H new ATOM 0 HA ASN A 91 -2.319 11.359 1.516 1.00 42.31 H new ATOM 0 HB2 ASN A 91 -4.651 12.014 -0.339 1.00 11.41 H new ATOM 0 HB3 ASN A 91 -3.741 10.518 -0.408 1.00 11.41 H new ATOM 0 HD21 ASN A 91 -6.870 10.100 1.680 1.00 55.33 H new ATOM 0 HD22 ASN A 91 -6.561 10.771 0.075 1.00 55.33 H new ATOM 1574 N PRO A 92 -0.793 11.614 -0.407 1.00 52.54 N ATOM 1575 CA PRO A 92 0.130 11.683 -1.537 1.00 2.23 C ATOM 1576 C PRO A 92 -0.426 10.926 -2.744 1.00 52.24 C ATOM 1577 O PRO A 92 0.147 10.946 -3.832 1.00 3.34 O ATOM 1578 CB PRO A 92 1.407 11.000 -1.015 1.00 2.31 C ATOM 1579 CG PRO A 92 1.142 10.658 0.419 1.00 71.04 C ATOM 1580 CD PRO A 92 -0.351 10.618 0.573 1.00 64.31 C ATOM 0 HA PRO A 92 0.302 12.706 -1.873 1.00 2.23 H new ATOM 0 HB2 PRO A 92 1.633 10.104 -1.593 1.00 2.31 H new ATOM 0 HB3 PRO A 92 2.267 11.663 -1.104 1.00 2.31 H new ATOM 0 HG2 PRO A 92 1.586 9.697 0.678 1.00 71.04 H new ATOM 0 HG3 PRO A 92 1.582 11.401 1.084 1.00 71.04 H new ATOM 0 HD2 PRO A 92 -0.756 9.629 0.358 1.00 64.31 H new ATOM 0 HD3 PRO A 92 -0.663 10.877 1.585 1.00 64.31 H new ATOM 1588 N THR A 93 -1.565 10.275 -2.533 1.00 22.03 N ATOM 1589 CA THR A 93 -2.242 9.502 -3.569 1.00 21.01 C ATOM 1590 C THR A 93 -3.024 10.431 -4.510 1.00 63.10 C ATOM 1591 O THR A 93 -4.087 10.077 -5.021 1.00 41.14 O ATOM 1592 CB THR A 93 -3.205 8.493 -2.907 1.00 44.13 C ATOM 1593 OG1 THR A 93 -2.606 7.987 -1.705 1.00 10.41 O ATOM 1594 CG2 THR A 93 -3.521 7.331 -3.841 1.00 20.44 C ATOM 0 H THR A 93 -2.047 10.268 -1.634 1.00 22.03 H new ATOM 0 HA THR A 93 -1.496 8.966 -4.156 1.00 21.01 H new ATOM 0 HB THR A 93 -4.137 9.009 -2.679 1.00 44.13 H new ATOM 0 HG1 THR A 93 -3.271 7.474 -1.199 1.00 10.41 H new ATOM 0 HG21 THR A 93 -4.201 6.639 -3.344 1.00 20.44 H new ATOM 0 HG22 THR A 93 -3.989 7.711 -4.749 1.00 20.44 H new ATOM 0 HG23 THR A 93 -2.599 6.810 -4.099 1.00 20.44 H new ATOM 1602 N TYR A 94 -2.472 11.614 -4.743 1.00 60.01 N ATOM 1603 CA TYR A 94 -3.111 12.628 -5.569 1.00 11.23 C ATOM 1604 C TYR A 94 -3.088 12.229 -7.046 1.00 20.41 C ATOM 1605 O TYR A 94 -4.133 12.029 -7.665 1.00 23.31 O ATOM 1606 CB TYR A 94 -2.406 13.974 -5.361 1.00 62.30 C ATOM 1607 CG TYR A 94 -2.967 15.102 -6.193 1.00 30.32 C ATOM 1608 CD1 TYR A 94 -4.113 15.778 -5.799 1.00 12.22 C ATOM 1609 CD2 TYR A 94 -2.342 15.493 -7.369 1.00 24.20 C ATOM 1610 CE1 TYR A 94 -4.626 16.812 -6.558 1.00 62.55 C ATOM 1611 CE2 TYR A 94 -2.847 16.524 -8.134 1.00 23.54 C ATOM 1612 CZ TYR A 94 -3.989 17.181 -7.722 1.00 21.14 C ATOM 1613 OH TYR A 94 -4.493 18.211 -8.480 1.00 44.44 O ATOM 0 H TYR A 94 -1.568 11.897 -4.364 1.00 60.01 H new ATOM 0 HA TYR A 94 -4.155 12.719 -5.269 1.00 11.23 H new ATOM 0 HB2 TYR A 94 -2.472 14.247 -4.308 1.00 62.30 H new ATOM 0 HB3 TYR A 94 -1.348 13.857 -5.594 1.00 62.30 H new ATOM 0 HD1 TYR A 94 -4.612 15.491 -4.885 1.00 12.22 H new ATOM 0 HD2 TYR A 94 -1.446 14.982 -7.690 1.00 24.20 H new ATOM 0 HE1 TYR A 94 -5.520 17.327 -6.241 1.00 62.55 H new ATOM 0 HE2 TYR A 94 -2.352 16.815 -9.049 1.00 23.54 H new ATOM 0 HH TYR A 94 -3.926 18.345 -9.268 1.00 44.44 H new ATOM 1623 N LYS A 95 -1.889 12.097 -7.600 1.00 41.25 N ATOM 1624 CA LYS A 95 -1.733 11.760 -9.012 1.00 21.14 C ATOM 1625 C LYS A 95 -1.214 10.333 -9.170 1.00 20.31 C ATOM 1626 O LYS A 95 -0.350 10.050 -9.999 1.00 42.41 O ATOM 1627 CB LYS A 95 -0.805 12.775 -9.695 1.00 34.32 C ATOM 1628 CG LYS A 95 0.569 12.912 -9.049 1.00 33.44 C ATOM 1629 CD LYS A 95 1.243 14.215 -9.463 1.00 32.41 C ATOM 1630 CE LYS A 95 1.455 14.303 -10.968 1.00 74.31 C ATOM 1631 NZ LYS A 95 2.535 13.398 -11.437 1.00 42.44 N ATOM 0 H LYS A 95 -1.011 12.218 -7.095 1.00 41.25 H new ATOM 0 HA LYS A 95 -2.707 11.810 -9.499 1.00 21.14 H new ATOM 0 HB2 LYS A 95 -0.675 12.485 -10.737 1.00 34.32 H new ATOM 0 HB3 LYS A 95 -1.291 13.750 -9.694 1.00 34.32 H new ATOM 0 HG2 LYS A 95 0.469 12.880 -7.964 1.00 33.44 H new ATOM 0 HG3 LYS A 95 1.195 12.068 -9.337 1.00 33.44 H new ATOM 0 HD2 LYS A 95 0.634 15.057 -9.134 1.00 32.41 H new ATOM 0 HD3 LYS A 95 2.205 14.301 -8.957 1.00 32.41 H new ATOM 0 HE2 LYS A 95 0.526 14.052 -11.479 1.00 74.31 H new ATOM 0 HE3 LYS A 95 1.701 15.330 -11.239 1.00 74.31 H new ATOM 0 HZ1 LYS A 95 2.326 13.080 -12.405 1.00 42.44 H new ATOM 0 HZ2 LYS A 95 3.442 13.906 -11.428 1.00 42.44 H new ATOM 0 HZ3 LYS A 95 2.595 12.573 -10.807 1.00 42.44 H new ATOM 1645 N ALA A 96 -1.774 9.432 -8.376 1.00 55.32 N ATOM 1646 CA ALA A 96 -1.381 8.035 -8.406 1.00 41.20 C ATOM 1647 C ALA A 96 -2.012 7.317 -9.590 1.00 60.55 C ATOM 1648 O ALA A 96 -3.170 6.899 -9.532 1.00 2.24 O ATOM 1649 CB ALA A 96 -1.774 7.358 -7.107 1.00 33.30 C ATOM 0 H ALA A 96 -2.506 9.648 -7.700 1.00 55.32 H new ATOM 0 HA ALA A 96 -0.298 7.984 -8.520 1.00 41.20 H new ATOM 0 HB1 ALA A 96 -1.475 6.310 -7.138 1.00 33.30 H new ATOM 0 HB2 ALA A 96 -1.276 7.853 -6.273 1.00 33.30 H new ATOM 0 HB3 ALA A 96 -2.854 7.424 -6.975 1.00 33.30 H new ATOM 1655 N GLU A 97 -1.255 7.191 -10.666 1.00 43.51 N ATOM 1656 CA GLU A 97 -1.747 6.540 -11.867 1.00 53.00 C ATOM 1657 C GLU A 97 -1.244 5.105 -11.958 1.00 63.31 C ATOM 1658 O GLU A 97 -0.151 4.783 -11.483 1.00 64.25 O ATOM 1659 CB GLU A 97 -1.324 7.326 -13.104 1.00 60.52 C ATOM 1660 CG GLU A 97 -1.806 8.765 -13.092 1.00 44.22 C ATOM 1661 CD GLU A 97 -1.513 9.483 -14.387 1.00 4.03 C ATOM 1662 OE1 GLU A 97 -0.399 10.028 -14.538 1.00 42.05 O ATOM 1663 OE2 GLU A 97 -2.395 9.506 -15.264 1.00 45.34 O ATOM 0 H GLU A 97 -0.296 7.532 -10.732 1.00 43.51 H new ATOM 0 HA GLU A 97 -2.836 6.515 -11.817 1.00 53.00 H new ATOM 0 HB2 GLU A 97 -0.237 7.315 -13.180 1.00 60.52 H new ATOM 0 HB3 GLU A 97 -1.711 6.828 -13.993 1.00 60.52 H new ATOM 0 HG2 GLU A 97 -2.880 8.784 -12.905 1.00 44.22 H new ATOM 0 HG3 GLU A 97 -1.330 9.298 -12.269 1.00 44.22 H new ATOM 1670 N LEU A 98 -2.048 4.249 -12.573 1.00 73.14 N ATOM 1671 CA LEU A 98 -1.704 2.844 -12.721 1.00 54.52 C ATOM 1672 C LEU A 98 -0.900 2.627 -13.994 1.00 74.40 C ATOM 1673 O LEU A 98 -1.447 2.611 -15.098 1.00 1.03 O ATOM 1674 CB LEU A 98 -2.971 1.984 -12.725 1.00 22.11 C ATOM 1675 CG LEU A 98 -3.775 2.024 -11.426 1.00 74.11 C ATOM 1676 CD1 LEU A 98 -5.027 1.170 -11.539 1.00 51.21 C ATOM 1677 CD2 LEU A 98 -2.916 1.562 -10.260 1.00 2.42 C ATOM 0 H LEU A 98 -2.948 4.506 -12.979 1.00 73.14 H new ATOM 0 HA LEU A 98 -1.089 2.543 -11.873 1.00 54.52 H new ATOM 0 HB2 LEU A 98 -3.613 2.311 -13.543 1.00 22.11 H new ATOM 0 HB3 LEU A 98 -2.692 0.951 -12.932 1.00 22.11 H new ATOM 0 HG LEU A 98 -4.084 3.054 -11.244 1.00 74.11 H new ATOM 0 HD11 LEU A 98 -5.583 1.214 -10.603 1.00 51.21 H new ATOM 0 HD12 LEU A 98 -5.651 1.545 -12.350 1.00 51.21 H new ATOM 0 HD13 LEU A 98 -4.746 0.137 -11.746 1.00 51.21 H new ATOM 0 HD21 LEU A 98 -3.501 1.596 -9.341 1.00 2.42 H new ATOM 0 HD22 LEU A 98 -2.579 0.541 -10.438 1.00 2.42 H new ATOM 0 HD23 LEU A 98 -2.051 2.218 -10.163 1.00 2.42 H new ATOM 1689 N HIS A 99 0.406 2.482 -13.831 1.00 21.31 N ATOM 1690 CA HIS A 99 1.309 2.319 -14.961 1.00 50.43 C ATOM 1691 C HIS A 99 1.707 0.856 -15.118 1.00 74.43 C ATOM 1692 O HIS A 99 2.625 0.382 -14.451 1.00 51.41 O ATOM 1693 CB HIS A 99 2.552 3.194 -14.769 1.00 71.41 C ATOM 1694 CG HIS A 99 3.485 3.207 -15.942 1.00 74.41 C ATOM 1695 ND1 HIS A 99 3.432 3.894 -17.109 1.00 2.15 N flip ATOM 1696 CD2 HIS A 99 4.649 2.467 -15.989 1.00 11.22 C flip ATOM 1697 CE1 HIS A 99 4.550 3.558 -17.828 1.00 42.32 C flip ATOM 1698 NE2 HIS A 99 5.268 2.699 -17.131 1.00 22.52 N flip ATOM 0 H HIS A 99 0.867 2.474 -12.921 1.00 21.31 H new ATOM 0 HA HIS A 99 0.795 2.634 -15.869 1.00 50.43 H new ATOM 0 HB2 HIS A 99 2.234 4.216 -14.561 1.00 71.41 H new ATOM 0 HB3 HIS A 99 3.096 2.845 -13.891 1.00 71.41 H new ATOM 0 HD1 HIS A 99 2.698 4.540 -17.398 1.00 2.15 H new ATOM 0 HD2 HIS A 99 4.998 1.802 -15.213 1.00 11.22 H new ATOM 0 HE1 HIS A 99 4.802 3.936 -18.808 1.00 42.32 H new ATOM 1707 N ALA A 100 1.011 0.152 -15.996 1.00 43.25 N ATOM 1708 CA ALA A 100 1.260 -1.260 -16.222 1.00 61.33 C ATOM 1709 C ALA A 100 1.628 -1.507 -17.677 1.00 21.43 C ATOM 1710 O ALA A 100 0.782 -1.412 -18.567 1.00 5.41 O ATOM 1711 CB ALA A 100 0.044 -2.087 -15.833 1.00 2.03 C ATOM 0 H ALA A 100 0.262 0.542 -16.568 1.00 43.25 H new ATOM 0 HA ALA A 100 2.098 -1.567 -15.596 1.00 61.33 H new ATOM 0 HB1 ALA A 100 0.250 -3.143 -16.010 1.00 2.03 H new ATOM 0 HB2 ALA A 100 -0.178 -1.932 -14.777 1.00 2.03 H new ATOM 0 HB3 ALA A 100 -0.812 -1.779 -16.433 1.00 2.03 H new ATOM 1717 N SER A 101 2.891 -1.810 -17.913 1.00 43.24 N ATOM 1718 CA SER A 101 3.385 -2.036 -19.262 1.00 62.40 C ATOM 1719 C SER A 101 3.633 -3.520 -19.502 1.00 72.35 C ATOM 1720 O SER A 101 4.228 -3.911 -20.509 1.00 3.32 O ATOM 1721 CB SER A 101 4.674 -1.240 -19.484 1.00 31.32 C ATOM 1722 OG SER A 101 4.452 0.151 -19.304 1.00 11.45 O ATOM 0 H SER A 101 3.598 -1.906 -17.184 1.00 43.24 H new ATOM 0 HA SER A 101 2.630 -1.697 -19.972 1.00 62.40 H new ATOM 0 HB2 SER A 101 5.441 -1.582 -18.789 1.00 31.32 H new ATOM 0 HB3 SER A 101 5.050 -1.424 -20.490 1.00 31.32 H new ATOM 0 HG SER A 101 5.290 0.638 -19.449 1.00 11.45 H new ATOM 1728 N VAL A 102 3.158 -4.344 -18.582 1.00 51.34 N ATOM 1729 CA VAL A 102 3.368 -5.779 -18.670 1.00 44.33 C ATOM 1730 C VAL A 102 2.327 -6.435 -19.566 1.00 55.11 C ATOM 1731 O VAL A 102 1.191 -6.679 -19.153 1.00 44.32 O ATOM 1732 CB VAL A 102 3.334 -6.440 -17.280 1.00 65.54 C ATOM 1733 CG1 VAL A 102 3.620 -7.933 -17.377 1.00 11.32 C ATOM 1734 CG2 VAL A 102 4.328 -5.763 -16.358 1.00 13.43 C ATOM 0 H VAL A 102 2.625 -4.043 -17.766 1.00 51.34 H new ATOM 0 HA VAL A 102 4.356 -5.927 -19.105 1.00 44.33 H new ATOM 0 HB VAL A 102 2.333 -6.320 -16.866 1.00 65.54 H new ATOM 0 HG11 VAL A 102 3.590 -8.375 -16.381 1.00 11.32 H new ATOM 0 HG12 VAL A 102 2.868 -8.407 -18.007 1.00 11.32 H new ATOM 0 HG13 VAL A 102 4.607 -8.087 -17.812 1.00 11.32 H new ATOM 0 HG21 VAL A 102 4.296 -6.238 -15.377 1.00 13.43 H new ATOM 0 HG22 VAL A 102 5.331 -5.856 -16.774 1.00 13.43 H new ATOM 0 HG23 VAL A 102 4.072 -4.708 -16.259 1.00 13.43 H new ATOM 1744 N LEU A 103 2.716 -6.685 -20.804 1.00 44.42 N ATOM 1745 CA LEU A 103 1.886 -7.426 -21.737 1.00 43.31 C ATOM 1746 C LEU A 103 2.722 -8.514 -22.389 1.00 2.03 C ATOM 1747 O LEU A 103 3.800 -8.240 -22.913 1.00 43.15 O ATOM 1748 CB LEU A 103 1.288 -6.514 -22.820 1.00 23.43 C ATOM 1749 CG LEU A 103 0.284 -5.459 -22.335 1.00 22.33 C ATOM 1750 CD1 LEU A 103 0.997 -4.209 -21.847 1.00 10.14 C ATOM 1751 CD2 LEU A 103 -0.697 -5.111 -23.444 1.00 50.52 C ATOM 0 H LEU A 103 3.611 -6.382 -21.189 1.00 44.42 H new ATOM 0 HA LEU A 103 1.057 -7.864 -21.181 1.00 43.31 H new ATOM 0 HB2 LEU A 103 2.106 -6.002 -23.327 1.00 23.43 H new ATOM 0 HB3 LEU A 103 0.795 -7.141 -23.563 1.00 23.43 H new ATOM 0 HG LEU A 103 -0.270 -5.881 -21.496 1.00 22.33 H new ATOM 0 HD11 LEU A 103 0.261 -3.479 -21.510 1.00 10.14 H new ATOM 0 HD12 LEU A 103 1.658 -4.467 -21.020 1.00 10.14 H new ATOM 0 HD13 LEU A 103 1.583 -3.783 -22.661 1.00 10.14 H new ATOM 0 HD21 LEU A 103 -1.402 -4.362 -23.084 1.00 50.52 H new ATOM 0 HD22 LEU A 103 -0.152 -4.715 -24.301 1.00 50.52 H new ATOM 0 HD23 LEU A 103 -1.241 -6.007 -23.743 1.00 50.52 H new ATOM 1763 N GLU A 104 2.240 -9.743 -22.342 1.00 64.22 N ATOM 1764 CA GLU A 104 2.963 -10.866 -22.914 1.00 72.13 C ATOM 1765 C GLU A 104 2.780 -10.883 -24.427 1.00 20.42 C ATOM 1766 O GLU A 104 3.747 -10.968 -25.183 1.00 53.30 O ATOM 1767 CB GLU A 104 2.475 -12.179 -22.294 1.00 63.11 C ATOM 1768 CG GLU A 104 3.172 -13.417 -22.833 1.00 2.02 C ATOM 1769 CD GLU A 104 4.672 -13.394 -22.618 1.00 23.44 C ATOM 1770 OE1 GLU A 104 5.114 -13.598 -21.469 1.00 54.34 O ATOM 1771 OE2 GLU A 104 5.415 -13.195 -23.599 1.00 23.25 O ATOM 0 H GLU A 104 1.348 -9.990 -21.912 1.00 64.22 H new ATOM 0 HA GLU A 104 4.025 -10.758 -22.694 1.00 72.13 H new ATOM 0 HB2 GLU A 104 2.620 -12.135 -21.215 1.00 63.11 H new ATOM 0 HB3 GLU A 104 1.403 -12.274 -22.468 1.00 63.11 H new ATOM 0 HG2 GLU A 104 2.755 -14.301 -22.350 1.00 2.02 H new ATOM 0 HG3 GLU A 104 2.965 -13.508 -23.899 1.00 2.02 H new ATOM 1778 N HIS A 105 1.538 -10.775 -24.865 1.00 20.11 N ATOM 1779 CA HIS A 105 1.243 -10.771 -26.290 1.00 31.45 C ATOM 1780 C HIS A 105 0.843 -9.373 -26.747 1.00 21.11 C ATOM 1781 O HIS A 105 0.067 -8.685 -26.083 1.00 50.05 O ATOM 1782 CB HIS A 105 0.155 -11.799 -26.643 1.00 65.32 C ATOM 1783 CG HIS A 105 -1.154 -11.592 -25.947 1.00 24.44 C ATOM 1784 ND1 HIS A 105 -2.222 -10.954 -26.530 1.00 25.11 N ATOM 1785 CD2 HIS A 105 -1.566 -11.964 -24.714 1.00 2.44 C ATOM 1786 CE1 HIS A 105 -3.236 -10.937 -25.687 1.00 22.43 C ATOM 1787 NE2 HIS A 105 -2.863 -11.545 -24.579 1.00 55.13 N ATOM 0 H HIS A 105 0.721 -10.689 -24.260 1.00 20.11 H new ATOM 0 HA HIS A 105 2.149 -11.062 -26.821 1.00 31.45 H new ATOM 0 HB2 HIS A 105 -0.014 -11.773 -27.720 1.00 65.32 H new ATOM 0 HB3 HIS A 105 0.525 -12.796 -26.402 1.00 65.32 H new ATOM 0 HD2 HIS A 105 -0.982 -12.492 -23.975 1.00 2.44 H new ATOM 0 HE1 HIS A 105 -4.206 -10.500 -25.873 1.00 22.43 H new ATOM 0 HE2 HIS A 105 -3.446 -11.682 -23.754 1.00 55.13 H new ATOM 1796 N HIS A 106 1.403 -8.954 -27.873 1.00 21.42 N ATOM 1797 CA HIS A 106 1.166 -7.620 -28.408 1.00 35.31 C ATOM 1798 C HIS A 106 0.543 -7.719 -29.795 1.00 45.02 C ATOM 1799 O HIS A 106 -0.607 -7.332 -30.001 1.00 11.31 O ATOM 1800 CB HIS A 106 2.476 -6.822 -28.487 1.00 1.23 C ATOM 1801 CG HIS A 106 3.091 -6.489 -27.158 1.00 62.23 C ATOM 1802 ND1 HIS A 106 3.346 -5.198 -26.755 1.00 32.04 N ATOM 1803 CD2 HIS A 106 3.525 -7.285 -26.153 1.00 54.32 C ATOM 1804 CE1 HIS A 106 3.907 -5.212 -25.562 1.00 2.42 C ATOM 1805 NE2 HIS A 106 4.029 -6.467 -25.171 1.00 54.34 N ATOM 0 H HIS A 106 2.031 -9.525 -28.439 1.00 21.42 H new ATOM 0 HA HIS A 106 0.482 -7.100 -27.738 1.00 35.31 H new ATOM 0 HB2 HIS A 106 3.197 -7.392 -29.073 1.00 1.23 H new ATOM 0 HB3 HIS A 106 2.288 -5.894 -29.027 1.00 1.23 H new ATOM 0 HD2 HIS A 106 3.483 -8.364 -26.128 1.00 54.32 H new ATOM 0 HE1 HIS A 106 4.215 -4.343 -24.999 1.00 2.42 H new ATOM 0 HE2 HIS A 106 4.431 -6.778 -24.286 1.00 54.34 H new ATOM 1814 N HIS A 107 1.305 -8.253 -30.740 1.00 0.12 N ATOM 1815 CA HIS A 107 0.822 -8.427 -32.102 1.00 44.41 C ATOM 1816 C HIS A 107 0.900 -9.887 -32.517 1.00 24.21 C ATOM 1817 O HIS A 107 1.819 -10.610 -32.122 1.00 74.22 O ATOM 1818 CB HIS A 107 1.619 -7.564 -33.077 1.00 15.04 C ATOM 1819 CG HIS A 107 1.260 -6.112 -33.008 1.00 32.04 C ATOM 1820 ND1 HIS A 107 2.097 -5.148 -32.495 1.00 53.25 N ATOM 1821 CD2 HIS A 107 0.135 -5.466 -33.389 1.00 61.02 C ATOM 1822 CE1 HIS A 107 1.502 -3.972 -32.562 1.00 23.11 C ATOM 1823 NE2 HIS A 107 0.309 -4.136 -33.101 1.00 30.22 N ATOM 0 H HIS A 107 2.261 -8.573 -30.588 1.00 0.12 H new ATOM 0 HA HIS A 107 -0.220 -8.109 -32.130 1.00 44.41 H new ATOM 0 HB2 HIS A 107 2.683 -7.679 -32.868 1.00 15.04 H new ATOM 0 HB3 HIS A 107 1.452 -7.925 -34.092 1.00 15.04 H new ATOM 0 HD2 HIS A 107 -0.739 -5.914 -33.837 1.00 61.02 H new ATOM 0 HE1 HIS A 107 1.921 -3.033 -32.231 1.00 23.11 H new ATOM 0 HE2 HIS A 107 -0.371 -3.396 -33.275 1.00 30.22 H new ATOM 1832 N HIS A 108 -0.074 -10.320 -33.302 1.00 50.41 N ATOM 1833 CA HIS A 108 -0.124 -11.700 -33.759 1.00 21.50 C ATOM 1834 C HIS A 108 0.528 -11.844 -35.131 1.00 31.05 C ATOM 1835 O HIS A 108 1.339 -12.747 -35.346 1.00 23.34 O ATOM 1836 CB HIS A 108 -1.574 -12.195 -33.790 1.00 65.22 C ATOM 1837 CG HIS A 108 -1.725 -13.653 -34.113 1.00 5.22 C ATOM 1838 ND1 HIS A 108 -1.029 -14.650 -33.463 1.00 74.12 N ATOM 1839 CD2 HIS A 108 -2.513 -14.282 -35.016 1.00 14.15 C ATOM 1840 CE1 HIS A 108 -1.386 -15.822 -33.954 1.00 13.23 C ATOM 1841 NE2 HIS A 108 -2.285 -15.629 -34.896 1.00 21.30 N ATOM 0 H HIS A 108 -0.841 -9.736 -33.636 1.00 50.41 H new ATOM 0 HA HIS A 108 0.438 -12.316 -33.057 1.00 21.50 H new ATOM 0 HB2 HIS A 108 -2.032 -12.001 -32.820 1.00 65.22 H new ATOM 0 HB3 HIS A 108 -2.128 -11.613 -34.526 1.00 65.22 H new ATOM 0 HD2 HIS A 108 -3.197 -13.809 -35.705 1.00 14.15 H new ATOM 0 HE1 HIS A 108 -1.004 -16.781 -33.636 1.00 13.23 H new ATOM 0 HE2 HIS A 108 -2.737 -16.360 -35.445 1.00 21.30 H new ATOM 1850 N HIS A 109 0.180 -10.964 -36.061 1.00 31.02 N ATOM 1851 CA HIS A 109 0.757 -11.015 -37.401 1.00 4.31 C ATOM 1852 C HIS A 109 0.760 -9.639 -38.057 1.00 41.22 C ATOM 1853 O HIS A 109 0.418 -8.635 -37.431 1.00 73.43 O ATOM 1854 CB HIS A 109 -0.006 -12.011 -38.288 1.00 43.14 C ATOM 1855 CG HIS A 109 -1.422 -11.614 -38.608 1.00 2.33 C ATOM 1856 ND1 HIS A 109 -1.764 -10.801 -39.671 1.00 73.05 N ATOM 1857 CD2 HIS A 109 -2.586 -11.944 -38.006 1.00 44.04 C ATOM 1858 CE1 HIS A 109 -3.074 -10.654 -39.702 1.00 0.42 C ATOM 1859 NE2 HIS A 109 -3.599 -11.338 -38.705 1.00 61.34 N ATOM 0 H HIS A 109 -0.493 -10.212 -35.916 1.00 31.02 H new ATOM 0 HA HIS A 109 1.789 -11.351 -37.297 1.00 4.31 H new ATOM 0 HB2 HIS A 109 0.541 -12.137 -39.222 1.00 43.14 H new ATOM 0 HB3 HIS A 109 -0.019 -12.982 -37.792 1.00 43.14 H new ATOM 0 HD1 HIS A 109 -1.107 -10.381 -40.328 1.00 73.05 H new ATOM 0 HD2 HIS A 109 -2.698 -12.571 -37.134 1.00 44.04 H new ATOM 0 HE1 HIS A 109 -3.625 -10.070 -40.424 1.00 0.42 H new ATOM 1868 N HIS A 110 1.145 -9.613 -39.326 1.00 71.14 N ATOM 1869 CA HIS A 110 1.137 -8.394 -40.117 1.00 65.25 C ATOM 1870 C HIS A 110 0.570 -8.694 -41.502 1.00 71.41 C ATOM 1871 O HIS A 110 1.259 -8.450 -42.516 1.00 36.36 O ATOM 1872 CB HIS A 110 2.549 -7.788 -40.211 1.00 60.21 C ATOM 1873 CG HIS A 110 3.620 -8.753 -40.637 1.00 33.22 C ATOM 1874 ND1 HIS A 110 4.111 -8.821 -41.922 1.00 54.42 N ATOM 1875 CD2 HIS A 110 4.311 -9.674 -39.926 1.00 0.53 C ATOM 1876 CE1 HIS A 110 5.053 -9.742 -41.982 1.00 22.01 C ATOM 1877 NE2 HIS A 110 5.196 -10.275 -40.786 1.00 3.42 N ATOM 1878 OXT HIS A 110 -0.561 -9.226 -41.560 1.00 36.36 O ATOM 0 H HIS A 110 1.471 -10.436 -39.833 1.00 71.14 H new ATOM 0 HA HIS A 110 0.502 -7.655 -39.628 1.00 65.25 H new ATOM 0 HB2 HIS A 110 2.527 -6.957 -40.916 1.00 60.21 H new ATOM 0 HB3 HIS A 110 2.817 -7.374 -39.239 1.00 60.21 H new ATOM 0 HD2 HIS A 110 4.189 -9.895 -38.876 1.00 0.53 H new ATOM 0 HE1 HIS A 110 5.613 -10.014 -42.864 1.00 22.01 H new ATOM 0 HE2 HIS A 110 5.856 -11.013 -40.540 1.00 3.42 H new TER 1887 HIS A 110