USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1272 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 31 SER OG : rot -35:sc= 0.522 USER MOD Set 1.2: A 62 THR OG1 : rot 38:sc= 1.72 USER MOD Set 2.1: A 10 ASN : amide:sc= -7.71! C(o=-26!,f=-34!) USER MOD Set 2.2: A 48 GLN : amide:sc= -6.98! C(o=-26!,f=-35!) USER MOD Set 2.3: A 50 GLN :FLIP amide:sc= -11.3! C(o=-34!,f=-26!) USER MOD Single : A 1 THR N :NH3+ 139:sc= 0.064 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00936 USER MOD Single : A 4 TYR OH : rot 180:sc= -2.21! USER MOD Single : A 9 SER OG : rot 172:sc= -2.03! USER MOD Single : A 13 SER OG : rot 179:sc= 0.558 USER MOD Single : A 17 GLN : amide:sc= -11.3! C(o=-11!,f=-16!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.0956 F(o=-1.7!,f=-0.096) USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= -0.0377 (180deg=-0.232) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 35 THR OG1 : rot 80:sc= -0.855 USER MOD Single : A 37 SER OG : rot -104:sc= -0.732! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -110:sc= -4.9! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -3.3! C(o=-3.3!,f=-9.5!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.3) USER MOD Single : A 72 HIS : no HD1:sc= -21.2! C(o=-21!,f=-26!) USER MOD Single : A 73 THR OG1 : rot -13:sc= 0.267 USER MOD Single : A 74 GLN : amide:sc= -3.79! C(o=-3.8!,f=-7.1!) USER MOD Single : A 79 GLN : amide:sc= -1.28! C(o=-1.3!,f=-1.7!) USER MOD Single : A 80 GLN : amide:sc= -2.55 X(o=-2.5,f=-2.8!) USER MOD Single : A 85 LYS NZ :NH3+ 167:sc= -0.0355 (180deg=-0.237) USER MOD Single : A 93 THR OG1 : rot 110:sc= -1.83! USER MOD Single : A 99 MET CE :methyl -155:sc= -8.39! (180deg=-10.1!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.246 F(o=-3.8!,f=-0.25) USER MOD Single : A 108 THR OG1 : rot 160:sc= -2.64! USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.021) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl -178:sc= -1.37 (180deg=-1.53) USER MOD Single : A 119 LYS NZ :NH3+ -146:sc= 0.0387 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.23) USER MOD Single : A 124 MET CE :methyl 149:sc= 0 (180deg=-1.85!) USER MOD Single : A 142 MET CE :methyl 144:sc= -0.2 (180deg=-0.884) USER MOD Single : A 145 GLN :FLIP amide:sc= -4.33! C(o=-9!,f=-4.3!) USER MOD Single : A 148 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ -177:sc= -7.78! (180deg=-8.26!) USER MOD Single : A 156 ASN : amide:sc= -0.913 X(o=-0.91,f=-0.65!) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 1.405 -13.312 -9.914 1.00 0.73 N ATOM 2 CA THR A 1 0.694 -12.754 -8.734 1.00 0.53 C ATOM 3 C THR A 1 0.723 -11.227 -8.750 1.00 0.47 C ATOM 4 O THR A 1 1.602 -10.618 -9.358 1.00 0.70 O ATOM 5 CB THR A 1 1.366 -13.290 -7.466 1.00 0.54 C ATOM 6 OG1 THR A 1 1.347 -14.706 -7.451 1.00 0.58 O ATOM 7 CG2 THR A 1 0.709 -12.814 -6.187 1.00 0.81 C ATOM 0 H1 THR A 1 1.970 -14.135 -9.622 1.00 0.73 H new ATOM 0 H2 THR A 1 0.711 -13.605 -10.631 1.00 0.73 H new ATOM 0 H3 THR A 1 2.033 -12.587 -10.316 1.00 0.73 H new ATOM 0 HA THR A 1 -0.352 -13.061 -8.760 1.00 0.53 H new ATOM 0 HB THR A 1 2.385 -12.904 -7.497 1.00 0.54 H new ATOM 0 HG1 THR A 1 1.782 -15.030 -6.635 1.00 0.58 H new ATOM 0 HG21 THR A 1 1.236 -13.232 -5.330 1.00 0.81 H new ATOM 0 HG22 THR A 1 0.748 -11.726 -6.141 1.00 0.81 H new ATOM 0 HG23 THR A 1 -0.331 -13.141 -6.168 1.00 0.81 H new ATOM 17 N VAL A 2 -0.246 -10.613 -8.078 1.00 0.44 N ATOM 18 CA VAL A 2 -0.330 -9.158 -8.013 1.00 0.42 C ATOM 19 C VAL A 2 0.041 -8.643 -6.629 1.00 0.38 C ATOM 20 O VAL A 2 -0.276 -9.269 -5.619 1.00 0.43 O ATOM 21 CB VAL A 2 -1.743 -8.651 -8.363 1.00 0.51 C ATOM 22 CG1 VAL A 2 -1.852 -7.156 -8.122 1.00 1.29 C ATOM 23 CG2 VAL A 2 -2.091 -8.978 -9.801 1.00 0.85 C ATOM 0 H VAL A 2 -0.984 -11.101 -7.571 1.00 0.44 H new ATOM 0 HA VAL A 2 0.379 -8.777 -8.748 1.00 0.42 H new ATOM 0 HB VAL A 2 -2.454 -9.160 -7.712 1.00 0.51 H new ATOM 0 HG11 VAL A 2 -2.857 -6.819 -8.375 1.00 1.29 H new ATOM 0 HG12 VAL A 2 -1.651 -6.941 -7.072 1.00 1.29 H new ATOM 0 HG13 VAL A 2 -1.126 -6.633 -8.745 1.00 1.29 H new ATOM 0 HG21 VAL A 2 -3.092 -8.611 -10.026 1.00 0.85 H new ATOM 0 HG22 VAL A 2 -1.372 -8.501 -10.467 1.00 0.85 H new ATOM 0 HG23 VAL A 2 -2.059 -10.058 -9.946 1.00 0.85 H new ATOM 33 N ALA A 3 0.697 -7.489 -6.591 1.00 0.38 N ATOM 34 CA ALA A 3 1.088 -6.886 -5.331 1.00 0.40 C ATOM 35 C ALA A 3 0.208 -5.682 -5.012 1.00 0.40 C ATOM 36 O ALA A 3 0.438 -4.577 -5.503 1.00 0.65 O ATOM 37 CB ALA A 3 2.555 -6.483 -5.367 1.00 0.43 C ATOM 0 H ALA A 3 0.967 -6.957 -7.418 1.00 0.38 H new ATOM 0 HA ALA A 3 0.952 -7.625 -4.541 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.832 -6.032 -4.414 1.00 0.43 H new ATOM 0 HB2 ALA A 3 3.170 -7.365 -5.544 1.00 0.43 H new ATOM 0 HB3 ALA A 3 2.715 -5.763 -6.169 1.00 0.43 H new ATOM 43 N TYR A 4 -0.786 -5.914 -4.167 1.00 0.25 N ATOM 44 CA TYR A 4 -1.711 -4.869 -3.741 1.00 0.24 C ATOM 45 C TYR A 4 -1.088 -4.114 -2.575 1.00 0.27 C ATOM 46 O TYR A 4 -1.155 -4.568 -1.435 1.00 0.35 O ATOM 47 CB TYR A 4 -3.028 -5.505 -3.318 1.00 0.25 C ATOM 48 CG TYR A 4 -3.603 -6.433 -4.366 1.00 0.27 C ATOM 49 CD1 TYR A 4 -3.077 -7.705 -4.562 1.00 0.55 C ATOM 50 CD2 TYR A 4 -4.655 -6.029 -5.168 1.00 0.62 C ATOM 51 CE1 TYR A 4 -3.589 -8.545 -5.529 1.00 0.61 C ATOM 52 CE2 TYR A 4 -5.172 -6.865 -6.135 1.00 0.66 C ATOM 53 CZ TYR A 4 -4.637 -8.120 -6.314 1.00 0.45 C ATOM 54 OH TYR A 4 -5.151 -8.951 -7.282 1.00 0.55 O ATOM 0 H TYR A 4 -0.975 -6.829 -3.757 1.00 0.25 H new ATOM 0 HA TYR A 4 -1.905 -4.175 -4.559 1.00 0.24 H new ATOM 0 HB2 TYR A 4 -2.875 -6.061 -2.393 1.00 0.25 H new ATOM 0 HB3 TYR A 4 -3.751 -4.719 -3.101 1.00 0.25 H new ATOM 0 HD1 TYR A 4 -2.255 -8.041 -3.948 1.00 0.55 H new ATOM 0 HD2 TYR A 4 -5.078 -5.044 -5.035 1.00 0.62 H new ATOM 0 HE1 TYR A 4 -3.170 -9.530 -5.669 1.00 0.61 H new ATOM 0 HE2 TYR A 4 -5.996 -6.535 -6.751 1.00 0.66 H new ATOM 0 HH TYR A 4 -5.887 -8.498 -7.745 1.00 0.55 H new ATOM 64 N ILE A 5 -0.430 -2.993 -2.866 1.00 0.28 N ATOM 65 CA ILE A 5 0.254 -2.235 -1.822 1.00 0.34 C ATOM 66 C ILE A 5 -0.100 -0.753 -1.837 1.00 0.34 C ATOM 67 O ILE A 5 -0.150 -0.125 -2.896 1.00 0.39 O ATOM 68 CB ILE A 5 1.781 -2.345 -1.993 1.00 0.41 C ATOM 69 CG1 ILE A 5 2.154 -3.746 -2.478 1.00 0.44 C ATOM 70 CG2 ILE A 5 2.486 -2.018 -0.686 1.00 0.53 C ATOM 71 CD1 ILE A 5 3.629 -3.920 -2.767 1.00 0.95 C ATOM 0 H ILE A 5 -0.357 -2.595 -3.802 1.00 0.28 H new ATOM 0 HA ILE A 5 -0.075 -2.667 -0.877 1.00 0.34 H new ATOM 0 HB ILE A 5 2.106 -1.623 -2.742 1.00 0.41 H new ATOM 0 HG12 ILE A 5 1.853 -4.473 -1.724 1.00 0.44 H new ATOM 0 HG13 ILE A 5 1.587 -3.970 -3.382 1.00 0.44 H new ATOM 0 HG21 ILE A 5 3.564 -2.100 -0.824 1.00 0.53 H new ATOM 0 HG22 ILE A 5 2.236 -1.002 -0.382 1.00 0.53 H new ATOM 0 HG23 ILE A 5 2.164 -2.717 0.086 1.00 0.53 H new ATOM 0 HD11 ILE A 5 3.816 -4.939 -3.106 1.00 0.95 H new ATOM 0 HD12 ILE A 5 3.933 -3.218 -3.543 1.00 0.95 H new ATOM 0 HD13 ILE A 5 4.203 -3.729 -1.860 1.00 0.95 H new ATOM 83 N ALA A 6 -0.309 -0.192 -0.648 1.00 0.40 N ATOM 84 CA ALA A 6 -0.611 1.230 -0.525 1.00 0.44 C ATOM 85 C ALA A 6 0.680 2.033 -0.388 1.00 0.42 C ATOM 86 O ALA A 6 1.697 1.505 0.054 1.00 0.58 O ATOM 87 CB ALA A 6 -1.517 1.484 0.669 1.00 0.53 C ATOM 0 H ALA A 6 -0.275 -0.697 0.238 1.00 0.40 H new ATOM 0 HA ALA A 6 -1.132 1.551 -1.427 1.00 0.44 H new ATOM 0 HB1 ALA A 6 -1.730 2.550 0.743 1.00 0.53 H new ATOM 0 HB2 ALA A 6 -2.450 0.935 0.541 1.00 0.53 H new ATOM 0 HB3 ALA A 6 -1.021 1.149 1.580 1.00 0.53 H new ATOM 93 N ILE A 7 0.639 3.306 -0.772 1.00 0.41 N ATOM 94 CA ILE A 7 1.814 4.171 -0.688 1.00 0.40 C ATOM 95 C ILE A 7 1.442 5.533 -0.106 1.00 0.44 C ATOM 96 O ILE A 7 0.300 5.972 -0.230 1.00 0.52 O ATOM 97 CB ILE A 7 2.466 4.358 -2.074 1.00 0.50 C ATOM 98 CG1 ILE A 7 2.913 3.005 -2.632 1.00 0.65 C ATOM 99 CG2 ILE A 7 3.643 5.320 -1.989 1.00 0.53 C ATOM 100 CD1 ILE A 7 3.556 3.088 -4.000 1.00 0.99 C ATOM 0 H ILE A 7 -0.194 3.762 -1.144 1.00 0.41 H new ATOM 0 HA ILE A 7 2.533 3.687 -0.027 1.00 0.40 H new ATOM 0 HB ILE A 7 1.728 4.787 -2.751 1.00 0.50 H new ATOM 0 HG12 ILE A 7 3.619 2.551 -1.936 1.00 0.65 H new ATOM 0 HG13 ILE A 7 2.049 2.342 -2.687 1.00 0.65 H new ATOM 0 HG21 ILE A 7 4.089 5.438 -2.977 1.00 0.53 H new ATOM 0 HG22 ILE A 7 3.296 6.289 -1.629 1.00 0.53 H new ATOM 0 HG23 ILE A 7 4.388 4.923 -1.300 1.00 0.53 H new ATOM 0 HD11 ILE A 7 3.845 2.089 -4.327 1.00 0.99 H new ATOM 0 HD12 ILE A 7 2.846 3.511 -4.711 1.00 0.99 H new ATOM 0 HD13 ILE A 7 4.440 3.723 -3.949 1.00 0.99 H new ATOM 112 N GLY A 8 2.406 6.200 0.533 1.00 0.50 N ATOM 113 CA GLY A 8 2.126 7.496 1.119 1.00 0.61 C ATOM 114 C GLY A 8 3.313 8.433 1.109 1.00 0.62 C ATOM 115 O GLY A 8 4.445 8.016 0.861 1.00 0.90 O ATOM 0 H GLY A 8 3.363 5.867 0.652 1.00 0.50 H new ATOM 0 HA2 GLY A 8 1.302 7.960 0.577 1.00 0.61 H new ATOM 0 HA3 GLY A 8 1.792 7.356 2.147 1.00 0.61 H new ATOM 119 N SER A 9 3.043 9.707 1.377 1.00 0.56 N ATOM 120 CA SER A 9 4.080 10.731 1.399 1.00 0.63 C ATOM 121 C SER A 9 3.541 12.034 1.982 1.00 0.66 C ATOM 122 O SER A 9 2.450 12.477 1.624 1.00 0.77 O ATOM 123 CB SER A 9 4.609 10.961 -0.015 1.00 0.77 C ATOM 124 OG SER A 9 3.544 11.029 -0.948 1.00 1.58 O ATOM 0 H SER A 9 2.107 10.056 1.583 1.00 0.56 H new ATOM 0 HA SER A 9 4.896 10.388 2.034 1.00 0.63 H new ATOM 0 HB2 SER A 9 5.185 11.886 -0.046 1.00 0.77 H new ATOM 0 HB3 SER A 9 5.288 10.153 -0.290 1.00 0.77 H new ATOM 0 HG SER A 9 3.893 11.297 -1.824 1.00 1.58 H new ATOM 130 N ASN A 10 4.305 12.646 2.889 1.00 0.69 N ATOM 131 CA ASN A 10 3.882 13.896 3.519 1.00 0.79 C ATOM 132 C ASN A 10 5.051 14.842 3.780 1.00 0.83 C ATOM 133 O ASN A 10 4.977 16.032 3.472 1.00 0.98 O ATOM 134 CB ASN A 10 3.172 13.618 4.847 1.00 0.99 C ATOM 135 CG ASN A 10 1.836 12.937 4.666 1.00 1.05 C ATOM 136 OD1 ASN A 10 1.077 13.285 3.770 1.00 2.01 O ATOM 137 ND2 ASN A 10 1.526 11.988 5.544 1.00 1.01 N ATOM 0 H ASN A 10 5.212 12.299 3.201 1.00 0.69 H new ATOM 0 HA ASN A 10 3.199 14.377 2.818 1.00 0.79 H new ATOM 0 HB2 ASN A 10 3.811 12.994 5.471 1.00 0.99 H new ATOM 0 HB3 ASN A 10 3.026 14.558 5.379 1.00 0.99 H new ATOM 0 HD21 ASN A 10 0.623 11.516 5.488 1.00 1.01 H new ATOM 0 HD22 ASN A 10 2.191 11.731 6.274 1.00 1.01 H new ATOM 144 N LEU A 11 6.109 14.319 4.387 1.00 0.83 N ATOM 145 CA LEU A 11 7.269 15.132 4.734 1.00 0.95 C ATOM 146 C LEU A 11 8.370 15.047 3.679 1.00 0.93 C ATOM 147 O LEU A 11 9.543 14.861 4.012 1.00 1.38 O ATOM 148 CB LEU A 11 7.814 14.704 6.104 1.00 1.12 C ATOM 149 CG LEU A 11 6.880 14.933 7.299 1.00 0.90 C ATOM 150 CD1 LEU A 11 6.539 16.409 7.439 1.00 1.77 C ATOM 151 CD2 LEU A 11 5.612 14.104 7.165 1.00 1.54 C ATOM 0 H LEU A 11 6.188 13.336 4.649 1.00 0.83 H new ATOM 0 HA LEU A 11 6.942 16.171 4.776 1.00 0.95 H new ATOM 0 HB2 LEU A 11 8.062 13.643 6.059 1.00 1.12 H new ATOM 0 HB3 LEU A 11 8.745 15.241 6.287 1.00 1.12 H new ATOM 0 HG LEU A 11 7.402 14.612 8.200 1.00 0.90 H new ATOM 0 HD11 LEU A 11 5.876 16.550 8.292 1.00 1.77 H new ATOM 0 HD12 LEU A 11 7.454 16.981 7.593 1.00 1.77 H new ATOM 0 HD13 LEU A 11 6.043 16.755 6.533 1.00 1.77 H new ATOM 0 HD21 LEU A 11 4.967 14.284 8.025 1.00 1.54 H new ATOM 0 HD22 LEU A 11 5.088 14.386 6.252 1.00 1.54 H new ATOM 0 HD23 LEU A 11 5.872 13.046 7.122 1.00 1.54 H new ATOM 163 N ALA A 12 7.989 15.203 2.411 1.00 0.84 N ATOM 164 CA ALA A 12 8.944 15.160 1.303 1.00 0.91 C ATOM 165 C ALA A 12 8.228 15.230 -0.043 1.00 0.95 C ATOM 166 O ALA A 12 8.563 14.493 -0.969 1.00 1.72 O ATOM 167 CB ALA A 12 9.801 13.903 1.375 1.00 0.97 C ATOM 0 H ALA A 12 7.023 15.361 2.125 1.00 0.84 H new ATOM 0 HA ALA A 12 9.593 16.031 1.393 1.00 0.91 H new ATOM 0 HB1 ALA A 12 10.503 13.893 0.541 1.00 0.97 H new ATOM 0 HB2 ALA A 12 10.353 13.892 2.315 1.00 0.97 H new ATOM 0 HB3 ALA A 12 9.161 13.023 1.321 1.00 0.97 H new ATOM 173 N SER A 13 7.239 16.117 -0.143 1.00 0.81 N ATOM 174 CA SER A 13 6.470 16.280 -1.376 1.00 0.79 C ATOM 175 C SER A 13 5.661 15.019 -1.681 1.00 0.71 C ATOM 176 O SER A 13 6.169 14.078 -2.287 1.00 0.71 O ATOM 177 CB SER A 13 7.395 16.608 -2.550 1.00 0.89 C ATOM 178 OG SER A 13 8.091 17.823 -2.328 1.00 1.47 O ATOM 0 H SER A 13 6.951 16.735 0.616 1.00 0.81 H new ATOM 0 HA SER A 13 5.778 17.110 -1.234 1.00 0.79 H new ATOM 0 HB2 SER A 13 8.109 15.797 -2.692 1.00 0.89 H new ATOM 0 HB3 SER A 13 6.811 16.682 -3.467 1.00 0.89 H new ATOM 0 HG SER A 13 8.690 18.000 -3.084 1.00 1.47 H new ATOM 184 N PRO A 14 4.387 14.985 -1.250 1.00 0.69 N ATOM 185 CA PRO A 14 3.501 13.831 -1.464 1.00 0.66 C ATOM 186 C PRO A 14 3.356 13.443 -2.934 1.00 0.67 C ATOM 187 O PRO A 14 3.051 12.293 -3.251 1.00 0.66 O ATOM 188 CB PRO A 14 2.154 14.300 -0.912 1.00 0.68 C ATOM 189 CG PRO A 14 2.491 15.386 0.049 1.00 0.80 C ATOM 190 CD PRO A 14 3.709 16.065 -0.507 1.00 0.78 C ATOM 0 HA PRO A 14 3.898 12.940 -0.978 1.00 0.66 H new ATOM 0 HB2 PRO A 14 1.506 14.665 -1.709 1.00 0.68 H new ATOM 0 HB3 PRO A 14 1.624 13.486 -0.418 1.00 0.68 H new ATOM 0 HG2 PRO A 14 1.664 16.089 0.150 1.00 0.80 H new ATOM 0 HG3 PRO A 14 2.688 14.982 1.042 1.00 0.80 H new ATOM 0 HD2 PRO A 14 3.444 16.897 -1.159 1.00 0.78 H new ATOM 0 HD3 PRO A 14 4.341 16.468 0.284 1.00 0.78 H new ATOM 198 N LEU A 15 3.551 14.407 -3.828 1.00 0.73 N ATOM 199 CA LEU A 15 3.412 14.160 -5.262 1.00 0.78 C ATOM 200 C LEU A 15 4.696 13.617 -5.894 1.00 0.73 C ATOM 201 O LEU A 15 4.640 12.849 -6.856 1.00 0.79 O ATOM 202 CB LEU A 15 2.997 15.449 -5.976 1.00 0.92 C ATOM 203 CG LEU A 15 2.821 15.327 -7.492 1.00 0.98 C ATOM 204 CD1 LEU A 15 1.703 14.352 -7.826 1.00 1.00 C ATOM 205 CD2 LEU A 15 2.543 16.692 -8.102 1.00 1.15 C ATOM 0 H LEU A 15 3.805 15.365 -3.587 1.00 0.73 H new ATOM 0 HA LEU A 15 2.642 13.398 -5.380 1.00 0.78 H new ATOM 0 HB2 LEU A 15 2.059 15.799 -5.544 1.00 0.92 H new ATOM 0 HB3 LEU A 15 3.746 16.215 -5.774 1.00 0.92 H new ATOM 0 HG LEU A 15 3.747 14.940 -7.918 1.00 0.98 H new ATOM 0 HD11 LEU A 15 1.594 14.280 -8.908 1.00 1.00 H new ATOM 0 HD12 LEU A 15 1.943 13.370 -7.419 1.00 1.00 H new ATOM 0 HD13 LEU A 15 0.769 14.707 -7.390 1.00 1.00 H new ATOM 0 HD21 LEU A 15 2.420 16.590 -9.180 1.00 1.15 H new ATOM 0 HD22 LEU A 15 1.631 17.105 -7.670 1.00 1.15 H new ATOM 0 HD23 LEU A 15 3.378 17.361 -7.893 1.00 1.15 H new ATOM 217 N GLU A 16 5.846 14.041 -5.382 1.00 0.71 N ATOM 218 CA GLU A 16 7.129 13.617 -5.932 1.00 0.71 C ATOM 219 C GLU A 16 7.565 12.242 -5.437 1.00 0.63 C ATOM 220 O GLU A 16 8.280 11.525 -6.140 1.00 0.65 O ATOM 221 CB GLU A 16 8.192 14.653 -5.584 1.00 0.81 C ATOM 222 CG GLU A 16 8.012 15.973 -6.314 1.00 0.95 C ATOM 223 CD GLU A 16 9.130 16.957 -6.024 1.00 1.57 C ATOM 224 OE1 GLU A 16 9.316 17.310 -4.841 1.00 2.35 O ATOM 225 OE2 GLU A 16 9.816 17.374 -6.980 1.00 2.01 O ATOM 0 H GLU A 16 5.917 14.677 -4.588 1.00 0.71 H new ATOM 0 HA GLU A 16 7.009 13.537 -7.012 1.00 0.71 H new ATOM 0 HB2 GLU A 16 8.173 14.835 -4.510 1.00 0.81 H new ATOM 0 HB3 GLU A 16 9.175 14.247 -5.821 1.00 0.81 H new ATOM 0 HG2 GLU A 16 7.966 15.787 -7.387 1.00 0.95 H new ATOM 0 HG3 GLU A 16 7.059 16.416 -6.026 1.00 0.95 H new ATOM 232 N GLN A 17 7.161 11.876 -4.225 1.00 0.59 N ATOM 233 CA GLN A 17 7.552 10.587 -3.663 1.00 0.56 C ATOM 234 C GLN A 17 6.826 9.428 -4.335 1.00 0.55 C ATOM 235 O GLN A 17 7.317 8.302 -4.337 1.00 0.61 O ATOM 236 CB GLN A 17 7.303 10.560 -2.159 1.00 0.62 C ATOM 237 CG GLN A 17 7.982 11.698 -1.423 1.00 0.71 C ATOM 238 CD GLN A 17 8.060 11.463 0.067 1.00 1.20 C ATOM 239 OE1 GLN A 17 8.777 10.573 0.525 1.00 1.99 O ATOM 240 NE2 GLN A 17 7.315 12.251 0.832 1.00 1.63 N ATOM 0 H GLN A 17 6.570 12.445 -3.619 1.00 0.59 H new ATOM 0 HA GLN A 17 8.618 10.464 -3.851 1.00 0.56 H new ATOM 0 HB2 GLN A 17 6.230 10.605 -1.974 1.00 0.62 H new ATOM 0 HB3 GLN A 17 7.657 9.612 -1.755 1.00 0.62 H new ATOM 0 HG2 GLN A 17 8.989 11.832 -1.819 1.00 0.71 H new ATOM 0 HG3 GLN A 17 7.439 12.624 -1.613 1.00 0.71 H new ATOM 0 HE21 GLN A 17 6.736 12.975 0.407 1.00 1.63 H new ATOM 0 HE22 GLN A 17 7.321 12.132 1.845 1.00 1.63 H new ATOM 249 N VAL A 18 5.660 9.704 -4.907 1.00 0.56 N ATOM 250 CA VAL A 18 4.883 8.671 -5.582 1.00 0.62 C ATOM 251 C VAL A 18 5.539 8.268 -6.895 1.00 0.60 C ATOM 252 O VAL A 18 5.687 7.081 -7.180 1.00 0.64 O ATOM 253 CB VAL A 18 3.437 9.134 -5.853 1.00 0.76 C ATOM 254 CG1 VAL A 18 2.643 8.036 -6.543 1.00 0.82 C ATOM 255 CG2 VAL A 18 2.761 9.552 -4.558 1.00 0.83 C ATOM 0 H VAL A 18 5.233 10.630 -4.917 1.00 0.56 H new ATOM 0 HA VAL A 18 4.853 7.809 -4.915 1.00 0.62 H new ATOM 0 HB VAL A 18 3.471 9.998 -6.517 1.00 0.76 H new ATOM 0 HG11 VAL A 18 1.626 8.382 -6.725 1.00 0.82 H new ATOM 0 HG12 VAL A 18 3.117 7.786 -7.492 1.00 0.82 H new ATOM 0 HG13 VAL A 18 2.616 7.151 -5.907 1.00 0.82 H new ATOM 0 HG21 VAL A 18 1.742 9.876 -4.768 1.00 0.83 H new ATOM 0 HG22 VAL A 18 2.739 8.707 -3.870 1.00 0.83 H new ATOM 0 HG23 VAL A 18 3.317 10.374 -4.106 1.00 0.83 H new ATOM 265 N ASN A 19 5.936 9.259 -7.685 1.00 0.60 N ATOM 266 CA ASN A 19 6.585 9.001 -8.967 1.00 0.64 C ATOM 267 C ASN A 19 7.683 7.951 -8.819 1.00 0.56 C ATOM 268 O ASN A 19 7.840 7.078 -9.672 1.00 0.63 O ATOM 269 CB ASN A 19 7.171 10.296 -9.534 1.00 0.72 C ATOM 270 CG ASN A 19 6.110 11.348 -9.794 1.00 0.82 C ATOM 271 OD1 ASN A 19 6.235 12.493 -9.135 1.00 0.92 O flip ATOM 272 ND2 ASN A 19 5.188 11.132 -10.582 1.00 0.84 N flip ATOM 0 H ASN A 19 5.821 10.248 -7.462 1.00 0.60 H new ATOM 0 HA ASN A 19 5.834 8.618 -9.658 1.00 0.64 H new ATOM 0 HB2 ASN A 19 7.909 10.693 -8.837 1.00 0.72 H new ATOM 0 HB3 ASN A 19 7.696 10.077 -10.464 1.00 0.72 H new ATOM 0 HD21 ASN A 19 5.131 10.237 -11.067 1.00 0.84 H new ATOM 0 HD22 ASN A 19 4.482 11.849 -10.749 1.00 0.84 H new ATOM 279 N ALA A 20 8.434 8.041 -7.724 1.00 0.47 N ATOM 280 CA ALA A 20 9.516 7.097 -7.456 1.00 0.42 C ATOM 281 C ALA A 20 9.012 5.871 -6.707 1.00 0.35 C ATOM 282 O ALA A 20 9.500 4.767 -6.925 1.00 0.36 O ATOM 283 CB ALA A 20 10.630 7.776 -6.674 1.00 0.43 C ATOM 0 H ALA A 20 8.313 8.758 -7.008 1.00 0.47 H new ATOM 0 HA ALA A 20 9.912 6.762 -8.415 1.00 0.42 H new ATOM 0 HB1 ALA A 20 11.429 7.060 -6.482 1.00 0.43 H new ATOM 0 HB2 ALA A 20 11.023 8.612 -7.253 1.00 0.43 H new ATOM 0 HB3 ALA A 20 10.237 8.144 -5.726 1.00 0.43 H new ATOM 289 N ALA A 21 8.043 6.066 -5.820 1.00 0.36 N ATOM 290 CA ALA A 21 7.490 4.960 -5.044 1.00 0.39 C ATOM 291 C ALA A 21 6.921 3.879 -5.960 1.00 0.41 C ATOM 292 O ALA A 21 7.006 2.688 -5.659 1.00 0.44 O ATOM 293 CB ALA A 21 6.420 5.466 -4.090 1.00 0.46 C ATOM 0 H ALA A 21 7.625 6.975 -5.620 1.00 0.36 H new ATOM 0 HA ALA A 21 8.297 4.517 -4.461 1.00 0.39 H new ATOM 0 HB1 ALA A 21 6.017 4.630 -3.518 1.00 0.46 H new ATOM 0 HB2 ALA A 21 6.856 6.195 -3.408 1.00 0.46 H new ATOM 0 HB3 ALA A 21 5.618 5.936 -4.659 1.00 0.46 H new ATOM 299 N LEU A 22 6.345 4.304 -7.080 1.00 0.47 N ATOM 300 CA LEU A 22 5.765 3.378 -8.047 1.00 0.53 C ATOM 301 C LEU A 22 6.832 2.855 -8.996 1.00 0.50 C ATOM 302 O LEU A 22 7.043 1.650 -9.120 1.00 0.64 O ATOM 303 CB LEU A 22 4.687 4.077 -8.874 1.00 0.70 C ATOM 304 CG LEU A 22 3.771 5.020 -8.104 1.00 0.81 C ATOM 305 CD1 LEU A 22 2.912 5.807 -9.073 1.00 1.28 C ATOM 306 CD2 LEU A 22 2.905 4.253 -7.120 1.00 1.35 C ATOM 0 H LEU A 22 6.267 5.287 -7.341 1.00 0.47 H new ATOM 0 HA LEU A 22 5.329 2.549 -7.490 1.00 0.53 H new ATOM 0 HB2 LEU A 22 5.174 4.642 -9.669 1.00 0.70 H new ATOM 0 HB3 LEU A 22 4.073 3.315 -9.354 1.00 0.70 H new ATOM 0 HG LEU A 22 4.387 5.715 -7.533 1.00 0.81 H new ATOM 0 HD11 LEU A 22 2.259 6.480 -8.517 1.00 1.28 H new ATOM 0 HD12 LEU A 22 3.552 6.389 -9.737 1.00 1.28 H new ATOM 0 HD13 LEU A 22 2.306 5.119 -9.664 1.00 1.28 H new ATOM 0 HD21 LEU A 22 2.260 4.949 -6.583 1.00 1.35 H new ATOM 0 HD22 LEU A 22 2.291 3.533 -7.660 1.00 1.35 H new ATOM 0 HD23 LEU A 22 3.541 3.726 -6.409 1.00 1.35 H new ATOM 318 N LYS A 23 7.491 3.788 -9.675 1.00 0.45 N ATOM 319 CA LYS A 23 8.536 3.459 -10.637 1.00 0.49 C ATOM 320 C LYS A 23 9.589 2.558 -10.004 1.00 0.43 C ATOM 321 O LYS A 23 10.173 1.704 -10.674 1.00 0.51 O ATOM 322 CB LYS A 23 9.169 4.749 -11.169 1.00 0.56 C ATOM 323 CG LYS A 23 10.145 4.553 -12.322 1.00 0.93 C ATOM 324 CD LYS A 23 11.517 4.100 -11.845 1.00 1.62 C ATOM 325 CE LYS A 23 12.481 3.925 -13.009 1.00 2.52 C ATOM 326 NZ LYS A 23 12.686 5.197 -13.756 1.00 3.23 N ATOM 0 H LYS A 23 7.317 4.788 -9.575 1.00 0.45 H new ATOM 0 HA LYS A 23 8.092 2.914 -11.470 1.00 0.49 H new ATOM 0 HB2 LYS A 23 8.374 5.420 -11.494 1.00 0.56 H new ATOM 0 HB3 LYS A 23 9.690 5.246 -10.351 1.00 0.56 H new ATOM 0 HG2 LYS A 23 9.742 3.815 -13.015 1.00 0.93 H new ATOM 0 HG3 LYS A 23 10.245 5.488 -12.874 1.00 0.93 H new ATOM 0 HD2 LYS A 23 11.920 4.831 -11.144 1.00 1.62 H new ATOM 0 HD3 LYS A 23 11.423 3.158 -11.304 1.00 1.62 H new ATOM 0 HE2 LYS A 23 13.440 3.565 -12.636 1.00 2.52 H new ATOM 0 HE3 LYS A 23 12.097 3.163 -13.687 1.00 2.52 H new ATOM 0 HZ1 LYS A 23 13.522 5.109 -14.368 1.00 3.23 H new ATOM 0 HZ2 LYS A 23 11.849 5.395 -14.340 1.00 3.23 H new ATOM 0 HZ3 LYS A 23 12.830 5.976 -13.082 1.00 3.23 H new ATOM 340 N ALA A 24 9.818 2.746 -8.709 1.00 0.37 N ATOM 341 CA ALA A 24 10.796 1.936 -7.986 1.00 0.41 C ATOM 342 C ALA A 24 10.485 0.458 -8.158 1.00 0.41 C ATOM 343 O ALA A 24 11.387 -0.371 -8.271 1.00 0.43 O ATOM 344 CB ALA A 24 10.815 2.299 -6.509 1.00 0.46 C ATOM 0 H ALA A 24 9.344 3.447 -8.140 1.00 0.37 H new ATOM 0 HA ALA A 24 11.782 2.141 -8.402 1.00 0.41 H new ATOM 0 HB1 ALA A 24 11.551 1.683 -5.992 1.00 0.46 H new ATOM 0 HB2 ALA A 24 11.079 3.350 -6.396 1.00 0.46 H new ATOM 0 HB3 ALA A 24 9.829 2.124 -6.079 1.00 0.46 H new ATOM 350 N LEU A 25 9.196 0.142 -8.188 1.00 0.43 N ATOM 351 CA LEU A 25 8.745 -1.235 -8.357 1.00 0.48 C ATOM 352 C LEU A 25 9.173 -1.767 -9.718 1.00 0.49 C ATOM 353 O LEU A 25 9.544 -2.933 -9.854 1.00 0.57 O ATOM 354 CB LEU A 25 7.221 -1.323 -8.216 1.00 0.53 C ATOM 355 CG LEU A 25 6.660 -0.858 -6.868 1.00 0.70 C ATOM 356 CD1 LEU A 25 5.140 -0.918 -6.876 1.00 0.95 C ATOM 357 CD2 LEU A 25 7.216 -1.706 -5.735 1.00 1.00 C ATOM 0 H LEU A 25 8.442 0.823 -8.097 1.00 0.43 H new ATOM 0 HA LEU A 25 9.203 -1.845 -7.578 1.00 0.48 H new ATOM 0 HB2 LEU A 25 6.765 -0.727 -9.006 1.00 0.53 H new ATOM 0 HB3 LEU A 25 6.917 -2.357 -8.381 1.00 0.53 H new ATOM 0 HG LEU A 25 6.967 0.176 -6.708 1.00 0.70 H new ATOM 0 HD11 LEU A 25 4.758 -0.585 -5.911 1.00 0.95 H new ATOM 0 HD12 LEU A 25 4.754 -0.270 -7.663 1.00 0.95 H new ATOM 0 HD13 LEU A 25 4.817 -1.943 -7.060 1.00 0.95 H new ATOM 0 HD21 LEU A 25 6.806 -1.360 -4.786 1.00 1.00 H new ATOM 0 HD22 LEU A 25 6.939 -2.749 -5.891 1.00 1.00 H new ATOM 0 HD23 LEU A 25 8.302 -1.618 -5.714 1.00 1.00 H new ATOM 369 N GLY A 26 9.125 -0.897 -10.726 1.00 0.47 N ATOM 370 CA GLY A 26 9.520 -1.291 -12.064 1.00 0.53 C ATOM 371 C GLY A 26 10.968 -1.730 -12.124 1.00 0.50 C ATOM 372 O GLY A 26 11.342 -2.560 -12.950 1.00 0.64 O ATOM 0 H GLY A 26 8.820 0.072 -10.637 1.00 0.47 H new ATOM 0 HA2 GLY A 26 8.880 -2.105 -12.406 1.00 0.53 H new ATOM 0 HA3 GLY A 26 9.366 -0.456 -12.748 1.00 0.53 H new ATOM 376 N ASP A 27 11.785 -1.173 -11.233 1.00 0.43 N ATOM 377 CA ASP A 27 13.200 -1.516 -11.172 1.00 0.46 C ATOM 378 C ASP A 27 13.411 -2.731 -10.276 1.00 0.41 C ATOM 379 O ASP A 27 14.373 -3.480 -10.440 1.00 0.56 O ATOM 380 CB ASP A 27 14.015 -0.331 -10.650 1.00 0.59 C ATOM 381 CG ASP A 27 15.498 -0.641 -10.572 1.00 1.05 C ATOM 382 OD1 ASP A 27 16.097 -0.953 -11.624 1.00 1.50 O ATOM 383 OD2 ASP A 27 16.061 -0.572 -9.459 1.00 1.48 O ATOM 0 H ASP A 27 11.489 -0.482 -10.544 1.00 0.43 H new ATOM 0 HA ASP A 27 13.540 -1.758 -12.179 1.00 0.46 H new ATOM 0 HB2 ASP A 27 13.860 0.529 -11.302 1.00 0.59 H new ATOM 0 HB3 ASP A 27 13.652 -0.051 -9.661 1.00 0.59 H new ATOM 388 N ILE A 28 12.493 -2.920 -9.331 1.00 0.37 N ATOM 389 CA ILE A 28 12.559 -4.046 -8.407 1.00 0.36 C ATOM 390 C ILE A 28 12.535 -5.373 -9.170 1.00 0.42 C ATOM 391 O ILE A 28 11.833 -5.507 -10.173 1.00 0.47 O ATOM 392 CB ILE A 28 11.398 -3.994 -7.391 1.00 0.41 C ATOM 393 CG1 ILE A 28 11.597 -2.821 -6.425 1.00 0.45 C ATOM 394 CG2 ILE A 28 11.281 -5.307 -6.630 1.00 0.47 C ATOM 395 CD1 ILE A 28 10.453 -2.629 -5.455 1.00 1.27 C ATOM 0 H ILE A 28 11.693 -2.305 -9.186 1.00 0.37 H new ATOM 0 HA ILE A 28 13.499 -3.976 -7.859 1.00 0.36 H new ATOM 0 HB ILE A 28 10.467 -3.843 -7.937 1.00 0.41 H new ATOM 0 HG12 ILE A 28 12.517 -2.979 -5.861 1.00 0.45 H new ATOM 0 HG13 ILE A 28 11.730 -1.906 -7.002 1.00 0.45 H new ATOM 0 HG21 ILE A 28 10.456 -5.244 -5.921 1.00 0.47 H new ATOM 0 HG22 ILE A 28 11.095 -6.119 -7.332 1.00 0.47 H new ATOM 0 HG23 ILE A 28 12.209 -5.499 -6.091 1.00 0.47 H new ATOM 0 HD11 ILE A 28 10.666 -1.781 -4.804 1.00 1.27 H new ATOM 0 HD12 ILE A 28 9.534 -2.439 -6.009 1.00 1.27 H new ATOM 0 HD13 ILE A 28 10.333 -3.528 -4.851 1.00 1.27 H new ATOM 407 N PRO A 29 13.317 -6.369 -8.710 1.00 0.49 N ATOM 408 CA PRO A 29 13.397 -7.685 -9.362 1.00 0.65 C ATOM 409 C PRO A 29 12.068 -8.435 -9.378 1.00 0.73 C ATOM 410 O PRO A 29 11.360 -8.498 -8.371 1.00 0.77 O ATOM 411 CB PRO A 29 14.423 -8.446 -8.513 1.00 0.75 C ATOM 412 CG PRO A 29 14.458 -7.731 -7.207 1.00 0.74 C ATOM 413 CD PRO A 29 14.195 -6.289 -7.531 1.00 0.51 C ATOM 0 HA PRO A 29 13.670 -7.586 -10.413 1.00 0.65 H new ATOM 0 HB2 PRO A 29 14.131 -9.488 -8.383 1.00 0.75 H new ATOM 0 HB3 PRO A 29 15.404 -8.446 -8.988 1.00 0.75 H new ATOM 0 HG2 PRO A 29 13.704 -8.124 -6.525 1.00 0.74 H new ATOM 0 HG3 PRO A 29 15.425 -7.853 -6.719 1.00 0.74 H new ATOM 0 HD2 PRO A 29 13.712 -5.771 -6.703 1.00 0.51 H new ATOM 0 HD3 PRO A 29 15.117 -5.750 -7.750 1.00 0.51 H new ATOM 421 N GLU A 30 11.756 -9.018 -10.535 1.00 0.83 N ATOM 422 CA GLU A 30 10.532 -9.796 -10.721 1.00 0.95 C ATOM 423 C GLU A 30 9.279 -8.953 -10.526 1.00 0.84 C ATOM 424 O GLU A 30 8.164 -9.471 -10.570 1.00 1.18 O ATOM 425 CB GLU A 30 10.510 -10.981 -9.756 1.00 1.17 C ATOM 426 CG GLU A 30 11.815 -11.751 -9.735 1.00 1.47 C ATOM 427 CD GLU A 30 11.679 -13.123 -9.105 1.00 2.16 C ATOM 428 OE1 GLU A 30 10.872 -13.930 -9.612 1.00 2.84 O ATOM 429 OE2 GLU A 30 12.381 -13.392 -8.108 1.00 2.65 O ATOM 0 H GLU A 30 12.343 -8.965 -11.368 1.00 0.83 H new ATOM 0 HA GLU A 30 10.532 -10.156 -11.750 1.00 0.95 H new ATOM 0 HB2 GLU A 30 10.291 -10.620 -8.751 1.00 1.17 H new ATOM 0 HB3 GLU A 30 9.701 -11.656 -10.036 1.00 1.17 H new ATOM 0 HG2 GLU A 30 12.184 -11.860 -10.755 1.00 1.47 H new ATOM 0 HG3 GLU A 30 12.561 -11.177 -9.186 1.00 1.47 H new ATOM 436 N SER A 31 9.460 -7.660 -10.307 1.00 0.60 N ATOM 437 CA SER A 31 8.329 -6.760 -10.099 1.00 0.54 C ATOM 438 C SER A 31 8.123 -5.837 -11.297 1.00 0.47 C ATOM 439 O SER A 31 9.082 -5.297 -11.847 1.00 0.59 O ATOM 440 CB SER A 31 8.533 -5.935 -8.830 1.00 0.57 C ATOM 441 OG SER A 31 8.733 -6.771 -7.704 1.00 1.37 O ATOM 0 H SER A 31 10.374 -7.209 -10.268 1.00 0.60 H new ATOM 0 HA SER A 31 7.434 -7.372 -9.987 1.00 0.54 H new ATOM 0 HB2 SER A 31 9.393 -5.277 -8.955 1.00 0.57 H new ATOM 0 HB3 SER A 31 7.665 -5.297 -8.664 1.00 0.57 H new ATOM 0 HG SER A 31 8.183 -7.577 -7.793 1.00 1.37 H new ATOM 447 N HIS A 32 6.863 -5.667 -11.698 1.00 0.38 N ATOM 448 CA HIS A 32 6.535 -4.813 -12.838 1.00 0.42 C ATOM 449 C HIS A 32 5.126 -4.246 -12.710 1.00 0.39 C ATOM 450 O HIS A 32 4.152 -4.974 -12.845 1.00 0.39 O ATOM 451 CB HIS A 32 6.649 -5.615 -14.133 1.00 0.52 C ATOM 452 CG HIS A 32 6.505 -4.785 -15.370 1.00 1.10 C ATOM 453 ND1 HIS A 32 7.361 -3.752 -15.687 1.00 1.90 N ATOM 454 CD2 HIS A 32 5.598 -4.841 -16.375 1.00 1.90 C ATOM 455 CE1 HIS A 32 6.987 -3.208 -16.831 1.00 2.46 C ATOM 456 NE2 HIS A 32 5.920 -3.852 -17.269 1.00 2.42 N ATOM 0 H HIS A 32 6.057 -6.107 -11.253 1.00 0.38 H new ATOM 0 HA HIS A 32 7.240 -3.982 -12.856 1.00 0.42 H new ATOM 0 HB2 HIS A 32 7.616 -6.118 -14.154 1.00 0.52 H new ATOM 0 HB3 HIS A 32 5.885 -6.392 -14.137 1.00 0.52 H new ATOM 0 HD2 HIS A 32 4.775 -5.535 -16.457 1.00 1.90 H new ATOM 0 HE1 HIS A 32 7.471 -2.378 -17.324 1.00 2.46 H new ATOM 0 HE2 HIS A 32 5.417 -3.647 -18.132 1.00 2.42 H new ATOM 465 N ILE A 33 5.015 -2.948 -12.448 1.00 0.42 N ATOM 466 CA ILE A 33 3.707 -2.315 -12.302 1.00 0.42 C ATOM 467 C ILE A 33 2.882 -2.417 -13.581 1.00 0.41 C ATOM 468 O ILE A 33 3.372 -2.155 -14.679 1.00 0.48 O ATOM 469 CB ILE A 33 3.831 -0.840 -11.874 1.00 0.51 C ATOM 470 CG1 ILE A 33 4.231 -0.772 -10.403 1.00 0.61 C ATOM 471 CG2 ILE A 33 2.523 -0.091 -12.111 1.00 0.79 C ATOM 472 CD1 ILE A 33 4.355 0.637 -9.866 1.00 0.70 C ATOM 0 H ILE A 33 5.808 -2.317 -12.333 1.00 0.42 H new ATOM 0 HA ILE A 33 3.188 -2.860 -11.514 1.00 0.42 H new ATOM 0 HB ILE A 33 4.600 -0.360 -12.479 1.00 0.51 H new ATOM 0 HG12 ILE A 33 3.493 -1.312 -9.811 1.00 0.61 H new ATOM 0 HG13 ILE A 33 5.183 -1.286 -10.271 1.00 0.61 H new ATOM 0 HG21 ILE A 33 2.637 0.948 -11.801 1.00 0.79 H new ATOM 0 HG22 ILE A 33 2.270 -0.127 -13.171 1.00 0.79 H new ATOM 0 HG23 ILE A 33 1.726 -0.557 -11.531 1.00 0.79 H new ATOM 0 HD11 ILE A 33 4.642 0.602 -8.815 1.00 0.70 H new ATOM 0 HD12 ILE A 33 5.115 1.176 -10.432 1.00 0.70 H new ATOM 0 HD13 ILE A 33 3.398 1.149 -9.964 1.00 0.70 H new ATOM 484 N LEU A 34 1.618 -2.801 -13.416 1.00 0.39 N ATOM 485 CA LEU A 34 0.699 -2.947 -14.541 1.00 0.40 C ATOM 486 C LEU A 34 -0.350 -1.840 -14.530 1.00 0.37 C ATOM 487 O LEU A 34 -0.544 -1.149 -15.533 1.00 0.50 O ATOM 488 CB LEU A 34 0.015 -4.316 -14.487 1.00 0.43 C ATOM 489 CG LEU A 34 -1.014 -4.575 -15.591 1.00 0.66 C ATOM 490 CD1 LEU A 34 -0.353 -4.539 -16.960 1.00 1.42 C ATOM 491 CD2 LEU A 34 -1.710 -5.910 -15.367 1.00 1.39 C ATOM 0 H LEU A 34 1.206 -3.018 -12.508 1.00 0.39 H new ATOM 0 HA LEU A 34 1.273 -2.870 -15.465 1.00 0.40 H new ATOM 0 HB2 LEU A 34 0.781 -5.089 -14.538 1.00 0.43 H new ATOM 0 HB3 LEU A 34 -0.479 -4.420 -13.521 1.00 0.43 H new ATOM 0 HG LEU A 34 -1.764 -3.785 -15.554 1.00 0.66 H new ATOM 0 HD11 LEU A 34 -1.101 -4.725 -17.730 1.00 1.42 H new ATOM 0 HD12 LEU A 34 0.097 -3.560 -17.121 1.00 1.42 H new ATOM 0 HD13 LEU A 34 0.419 -5.306 -17.011 1.00 1.42 H new ATOM 0 HD21 LEU A 34 -2.438 -6.078 -16.161 1.00 1.39 H new ATOM 0 HD22 LEU A 34 -0.971 -6.711 -15.376 1.00 1.39 H new ATOM 0 HD23 LEU A 34 -2.220 -5.897 -14.404 1.00 1.39 H new ATOM 503 N THR A 35 -1.027 -1.673 -13.396 1.00 0.30 N ATOM 504 CA THR A 35 -2.056 -0.647 -13.266 1.00 0.33 C ATOM 505 C THR A 35 -1.692 0.354 -12.175 1.00 0.34 C ATOM 506 O THR A 35 -1.096 -0.007 -11.162 1.00 0.44 O ATOM 507 CB THR A 35 -3.410 -1.290 -12.959 1.00 0.39 C ATOM 508 OG1 THR A 35 -3.356 -2.020 -11.747 1.00 0.97 O ATOM 509 CG2 THR A 35 -3.882 -2.234 -14.044 1.00 0.93 C ATOM 0 H THR A 35 -0.881 -2.234 -12.557 1.00 0.30 H new ATOM 0 HA THR A 35 -2.124 -0.112 -14.213 1.00 0.33 H new ATOM 0 HB THR A 35 -4.115 -0.461 -12.888 1.00 0.39 H new ATOM 0 HG1 THR A 35 -3.437 -1.403 -10.990 1.00 0.97 H new ATOM 0 HG21 THR A 35 -4.847 -2.656 -13.765 1.00 0.93 H new ATOM 0 HG22 THR A 35 -3.982 -1.689 -14.982 1.00 0.93 H new ATOM 0 HG23 THR A 35 -3.157 -3.038 -14.167 1.00 0.93 H new ATOM 517 N VAL A 36 -2.059 1.612 -12.392 1.00 0.33 N ATOM 518 CA VAL A 36 -1.774 2.670 -11.430 1.00 0.39 C ATOM 519 C VAL A 36 -3.040 3.441 -11.067 1.00 0.36 C ATOM 520 O VAL A 36 -3.761 3.918 -11.945 1.00 0.38 O ATOM 521 CB VAL A 36 -0.721 3.656 -11.976 1.00 0.51 C ATOM 522 CG1 VAL A 36 -0.435 4.755 -10.964 1.00 1.05 C ATOM 523 CG2 VAL A 36 0.559 2.921 -12.346 1.00 1.21 C ATOM 0 H VAL A 36 -2.555 1.924 -13.227 1.00 0.33 H new ATOM 0 HA VAL A 36 -1.379 2.187 -10.536 1.00 0.39 H new ATOM 0 HB VAL A 36 -1.123 4.120 -12.877 1.00 0.51 H new ATOM 0 HG11 VAL A 36 0.310 5.439 -11.370 1.00 1.05 H new ATOM 0 HG12 VAL A 36 -1.353 5.303 -10.753 1.00 1.05 H new ATOM 0 HG13 VAL A 36 -0.057 4.312 -10.043 1.00 1.05 H new ATOM 0 HG21 VAL A 36 1.290 3.633 -12.729 1.00 1.21 H new ATOM 0 HG22 VAL A 36 0.963 2.426 -11.463 1.00 1.21 H new ATOM 0 HG23 VAL A 36 0.342 2.176 -13.112 1.00 1.21 H new ATOM 533 N SER A 37 -3.300 3.564 -9.768 1.00 0.35 N ATOM 534 CA SER A 37 -4.475 4.282 -9.285 1.00 0.35 C ATOM 535 C SER A 37 -4.294 5.789 -9.473 1.00 0.40 C ATOM 536 O SER A 37 -3.421 6.223 -10.225 1.00 0.72 O ATOM 537 CB SER A 37 -4.718 3.951 -7.809 1.00 0.36 C ATOM 538 OG SER A 37 -3.666 4.440 -6.998 1.00 1.35 O ATOM 0 H SER A 37 -2.712 3.175 -9.031 1.00 0.35 H new ATOM 0 HA SER A 37 -5.344 3.967 -9.863 1.00 0.35 H new ATOM 0 HB2 SER A 37 -5.663 4.387 -7.486 1.00 0.36 H new ATOM 0 HB3 SER A 37 -4.806 2.872 -7.685 1.00 0.36 H new ATOM 0 HG SER A 37 -3.087 3.696 -6.729 1.00 1.35 H new ATOM 544 N SER A 38 -5.119 6.583 -8.794 1.00 0.43 N ATOM 545 CA SER A 38 -5.033 8.034 -8.904 1.00 0.45 C ATOM 546 C SER A 38 -4.448 8.646 -7.634 1.00 0.47 C ATOM 547 O SER A 38 -4.086 7.932 -6.701 1.00 0.70 O ATOM 548 CB SER A 38 -6.412 8.633 -9.186 1.00 0.50 C ATOM 549 OG SER A 38 -6.946 8.138 -10.402 1.00 1.19 O ATOM 0 H SER A 38 -5.849 6.247 -8.166 1.00 0.43 H new ATOM 0 HA SER A 38 -4.369 8.267 -9.736 1.00 0.45 H new ATOM 0 HB2 SER A 38 -7.089 8.396 -8.365 1.00 0.50 H new ATOM 0 HB3 SER A 38 -6.337 9.719 -9.234 1.00 0.50 H new ATOM 0 HG SER A 38 -7.828 8.535 -10.558 1.00 1.19 H new ATOM 555 N PHE A 39 -4.360 9.971 -7.609 1.00 0.38 N ATOM 556 CA PHE A 39 -3.823 10.685 -6.460 1.00 0.43 C ATOM 557 C PHE A 39 -4.924 11.050 -5.469 1.00 0.40 C ATOM 558 O PHE A 39 -5.688 11.989 -5.681 1.00 0.65 O ATOM 559 CB PHE A 39 -3.066 11.938 -6.921 1.00 0.59 C ATOM 560 CG PHE A 39 -3.627 12.590 -8.162 1.00 1.42 C ATOM 561 CD1 PHE A 39 -4.952 12.995 -8.228 1.00 1.93 C ATOM 562 CD2 PHE A 39 -2.815 12.802 -9.264 1.00 2.21 C ATOM 563 CE1 PHE A 39 -5.454 13.593 -9.368 1.00 2.75 C ATOM 564 CE2 PHE A 39 -3.311 13.400 -10.407 1.00 3.01 C ATOM 565 CZ PHE A 39 -4.633 13.795 -10.458 1.00 3.17 C ATOM 0 H PHE A 39 -4.656 10.574 -8.377 1.00 0.38 H new ATOM 0 HA PHE A 39 -3.125 10.025 -5.946 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -3.069 12.667 -6.111 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -2.026 11.671 -7.106 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -5.600 12.841 -7.377 1.00 1.93 H new ATOM 0 HD2 PHE A 39 -1.780 12.496 -9.230 1.00 2.21 H new ATOM 0 HE1 PHE A 39 -6.488 13.902 -9.406 1.00 2.75 H new ATOM 0 HE2 PHE A 39 -2.666 13.558 -11.259 1.00 3.01 H new ATOM 0 HZ PHE A 39 -5.024 14.262 -11.350 1.00 3.17 H new ATOM 575 N TYR A 40 -5.000 10.295 -4.377 1.00 0.38 N ATOM 576 CA TYR A 40 -6.007 10.541 -3.353 1.00 0.37 C ATOM 577 C TYR A 40 -5.372 11.134 -2.102 1.00 0.40 C ATOM 578 O TYR A 40 -4.234 10.822 -1.770 1.00 0.53 O ATOM 579 CB TYR A 40 -6.744 9.247 -2.991 1.00 0.44 C ATOM 580 CG TYR A 40 -7.415 8.568 -4.166 1.00 0.49 C ATOM 581 CD1 TYR A 40 -6.665 7.888 -5.116 1.00 0.49 C ATOM 582 CD2 TYR A 40 -8.793 8.617 -4.328 1.00 0.59 C ATOM 583 CE1 TYR A 40 -7.272 7.270 -6.193 1.00 0.57 C ATOM 584 CE2 TYR A 40 -9.407 8.003 -5.402 1.00 0.67 C ATOM 585 CZ TYR A 40 -8.655 7.311 -6.314 1.00 0.66 C ATOM 586 OH TYR A 40 -9.248 6.717 -7.403 1.00 0.76 O ATOM 0 H TYR A 40 -4.378 9.511 -4.180 1.00 0.38 H new ATOM 0 HA TYR A 40 -6.724 11.254 -3.759 1.00 0.37 H new ATOM 0 HB2 TYR A 40 -6.036 8.552 -2.540 1.00 0.44 H new ATOM 0 HB3 TYR A 40 -7.497 9.470 -2.235 1.00 0.44 H new ATOM 0 HD1 TYR A 40 -5.591 7.841 -5.012 1.00 0.49 H new ATOM 0 HD2 TYR A 40 -9.395 9.144 -3.602 1.00 0.59 H new ATOM 0 HE1 TYR A 40 -6.676 6.759 -6.935 1.00 0.57 H new ATOM 0 HE2 TYR A 40 -10.478 8.068 -5.523 1.00 0.67 H new ATOM 0 HH TYR A 40 -10.220 6.828 -7.347 1.00 0.76 H new ATOM 596 N ARG A 41 -6.119 11.981 -1.408 1.00 0.43 N ATOM 597 CA ARG A 41 -5.627 12.602 -0.185 1.00 0.50 C ATOM 598 C ARG A 41 -6.492 12.178 0.997 1.00 0.54 C ATOM 599 O ARG A 41 -7.716 12.107 0.883 1.00 0.67 O ATOM 600 CB ARG A 41 -5.602 14.129 -0.330 1.00 0.66 C ATOM 601 CG ARG A 41 -4.998 14.856 0.865 1.00 0.69 C ATOM 602 CD ARG A 41 -6.016 15.055 1.979 1.00 0.94 C ATOM 603 NE ARG A 41 -5.462 15.807 3.103 1.00 1.56 N ATOM 604 CZ ARG A 41 -5.068 17.075 3.025 1.00 2.07 C ATOM 605 NH1 ARG A 41 -5.176 17.739 1.881 1.00 2.32 N ATOM 606 NH2 ARG A 41 -4.568 17.680 4.092 1.00 2.95 N ATOM 0 H ARG A 41 -7.066 12.254 -1.670 1.00 0.43 H new ATOM 0 HA ARG A 41 -4.606 12.267 -0.003 1.00 0.50 H new ATOM 0 HB2 ARG A 41 -5.036 14.389 -1.224 1.00 0.66 H new ATOM 0 HB3 ARG A 41 -6.621 14.486 -0.482 1.00 0.66 H new ATOM 0 HG2 ARG A 41 -4.149 14.287 1.245 1.00 0.69 H new ATOM 0 HG3 ARG A 41 -4.615 15.825 0.545 1.00 0.69 H new ATOM 0 HD2 ARG A 41 -6.886 15.581 1.585 1.00 0.94 H new ATOM 0 HD3 ARG A 41 -6.363 14.083 2.330 1.00 0.94 H new ATOM 0 HE ARG A 41 -5.372 15.331 4.001 1.00 1.56 H new ATOM 0 HH11 ARG A 41 -5.562 17.277 1.058 1.00 2.32 H new ATOM 0 HH12 ARG A 41 -4.873 18.711 1.825 1.00 2.32 H new ATOM 0 HH21 ARG A 41 -4.485 17.173 4.973 1.00 2.95 H new ATOM 0 HH22 ARG A 41 -4.266 18.652 4.032 1.00 2.95 H new ATOM 620 N THR A 42 -5.853 11.875 2.123 1.00 0.61 N ATOM 621 CA THR A 42 -6.579 11.433 3.312 1.00 0.73 C ATOM 622 C THR A 42 -5.718 11.526 4.573 1.00 0.84 C ATOM 623 O THR A 42 -4.491 11.460 4.500 1.00 1.10 O ATOM 624 CB THR A 42 -7.055 9.994 3.112 1.00 0.81 C ATOM 625 OG1 THR A 42 -7.658 9.488 4.289 1.00 1.30 O ATOM 626 CG2 THR A 42 -5.945 9.043 2.725 1.00 1.28 C ATOM 0 H THR A 42 -4.841 11.926 2.238 1.00 0.61 H new ATOM 0 HA THR A 42 -7.435 12.094 3.449 1.00 0.73 H new ATOM 0 HB THR A 42 -7.773 10.046 2.294 1.00 0.81 H new ATOM 0 HG1 THR A 42 -7.080 8.802 4.684 1.00 1.30 H new ATOM 0 HG21 THR A 42 -6.353 8.040 2.599 1.00 1.28 H new ATOM 0 HG22 THR A 42 -5.494 9.372 1.789 1.00 1.28 H new ATOM 0 HG23 THR A 42 -5.187 9.031 3.508 1.00 1.28 H new ATOM 634 N PRO A 43 -6.361 11.680 5.751 1.00 0.74 N ATOM 635 CA PRO A 43 -5.658 11.779 7.038 1.00 0.86 C ATOM 636 C PRO A 43 -4.548 10.738 7.190 1.00 0.90 C ATOM 637 O PRO A 43 -4.817 9.546 7.340 1.00 0.94 O ATOM 638 CB PRO A 43 -6.766 11.520 8.055 1.00 0.98 C ATOM 639 CG PRO A 43 -8.006 12.017 7.395 1.00 0.87 C ATOM 640 CD PRO A 43 -7.826 11.771 5.920 1.00 0.71 C ATOM 0 HA PRO A 43 -5.157 12.740 7.153 1.00 0.86 H new ATOM 0 HB2 PRO A 43 -6.843 10.460 8.296 1.00 0.98 H new ATOM 0 HB3 PRO A 43 -6.576 12.047 8.990 1.00 0.98 H new ATOM 0 HG2 PRO A 43 -8.884 11.493 7.772 1.00 0.87 H new ATOM 0 HG3 PRO A 43 -8.156 13.078 7.597 1.00 0.87 H new ATOM 0 HD2 PRO A 43 -8.322 10.853 5.605 1.00 0.71 H new ATOM 0 HD3 PRO A 43 -8.247 12.582 5.325 1.00 0.71 H new ATOM 648 N PRO A 44 -3.278 11.184 7.147 1.00 0.98 N ATOM 649 CA PRO A 44 -2.105 10.306 7.273 1.00 1.12 C ATOM 650 C PRO A 44 -2.242 9.236 8.356 1.00 1.19 C ATOM 651 O PRO A 44 -2.021 8.054 8.092 1.00 2.06 O ATOM 652 CB PRO A 44 -0.997 11.289 7.625 1.00 1.28 C ATOM 653 CG PRO A 44 -1.374 12.524 6.889 1.00 1.18 C ATOM 654 CD PRO A 44 -2.873 12.597 6.954 1.00 1.03 C ATOM 0 HA PRO A 44 -1.935 9.729 6.364 1.00 1.12 H new ATOM 0 HB2 PRO A 44 -0.944 11.464 8.700 1.00 1.28 H new ATOM 0 HB3 PRO A 44 -0.020 10.920 7.313 1.00 1.28 H new ATOM 0 HG2 PRO A 44 -0.919 13.404 7.343 1.00 1.18 H new ATOM 0 HG3 PRO A 44 -1.029 12.484 5.856 1.00 1.18 H new ATOM 0 HD2 PRO A 44 -3.209 13.227 7.777 1.00 1.03 H new ATOM 0 HD3 PRO A 44 -3.295 13.015 6.040 1.00 1.03 H new ATOM 662 N LEU A 45 -2.588 9.658 9.569 1.00 0.99 N ATOM 663 CA LEU A 45 -2.735 8.734 10.695 1.00 1.03 C ATOM 664 C LEU A 45 -1.382 8.165 11.108 1.00 1.08 C ATOM 665 O LEU A 45 -0.649 7.621 10.285 1.00 1.32 O ATOM 666 CB LEU A 45 -3.712 7.599 10.355 1.00 1.15 C ATOM 667 CG LEU A 45 -5.153 8.041 10.078 1.00 1.53 C ATOM 668 CD1 LEU A 45 -5.997 6.854 9.638 1.00 1.83 C ATOM 669 CD2 LEU A 45 -5.758 8.694 11.311 1.00 2.21 C ATOM 0 H LEU A 45 -2.772 10.634 9.800 1.00 0.99 H new ATOM 0 HA LEU A 45 -3.145 9.295 11.535 1.00 1.03 H new ATOM 0 HB2 LEU A 45 -3.337 7.068 9.480 1.00 1.15 H new ATOM 0 HB3 LEU A 45 -3.719 6.888 11.181 1.00 1.15 H new ATOM 0 HG LEU A 45 -5.139 8.775 9.272 1.00 1.53 H new ATOM 0 HD11 LEU A 45 -7.018 7.185 9.445 1.00 1.83 H new ATOM 0 HD12 LEU A 45 -5.576 6.426 8.728 1.00 1.83 H new ATOM 0 HD13 LEU A 45 -6.003 6.100 10.425 1.00 1.83 H new ATOM 0 HD21 LEU A 45 -6.781 9.001 11.095 1.00 2.21 H new ATOM 0 HD22 LEU A 45 -5.759 7.982 12.136 1.00 2.21 H new ATOM 0 HD23 LEU A 45 -5.167 9.568 11.587 1.00 2.21 H new ATOM 681 N GLY A 46 -1.057 8.309 12.389 1.00 1.09 N ATOM 682 CA GLY A 46 0.212 7.820 12.899 1.00 1.18 C ATOM 683 C GLY A 46 1.112 8.951 13.365 1.00 1.11 C ATOM 684 O GLY A 46 0.639 10.058 13.602 1.00 1.19 O ATOM 0 H GLY A 46 -1.652 8.757 13.086 1.00 1.09 H new ATOM 0 HA2 GLY A 46 0.030 7.136 13.728 1.00 1.18 H new ATOM 0 HA3 GLY A 46 0.720 7.250 12.121 1.00 1.18 H new ATOM 688 N PRO A 47 2.413 8.693 13.565 1.00 1.12 N ATOM 689 CA PRO A 47 3.356 9.681 14.046 1.00 1.16 C ATOM 690 C PRO A 47 4.346 10.179 12.982 1.00 1.14 C ATOM 691 O PRO A 47 5.409 9.583 12.799 1.00 1.99 O ATOM 692 CB PRO A 47 4.104 8.861 15.083 1.00 1.36 C ATOM 693 CG PRO A 47 4.116 7.457 14.531 1.00 1.39 C ATOM 694 CD PRO A 47 3.084 7.403 13.422 1.00 1.26 C ATOM 0 HA PRO A 47 2.864 10.590 14.392 1.00 1.16 H new ATOM 0 HB2 PRO A 47 5.117 9.237 15.229 1.00 1.36 H new ATOM 0 HB3 PRO A 47 3.607 8.901 16.052 1.00 1.36 H new ATOM 0 HG2 PRO A 47 5.105 7.202 14.149 1.00 1.39 H new ATOM 0 HG3 PRO A 47 3.880 6.734 15.312 1.00 1.39 H new ATOM 0 HD2 PRO A 47 3.545 7.290 12.441 1.00 1.26 H new ATOM 0 HD3 PRO A 47 2.394 6.569 13.548 1.00 1.26 H new ATOM 702 N GLN A 48 4.028 11.288 12.312 1.00 0.95 N ATOM 703 CA GLN A 48 4.942 11.853 11.317 1.00 0.84 C ATOM 704 C GLN A 48 4.636 13.329 11.053 1.00 0.90 C ATOM 705 O GLN A 48 5.552 14.143 10.942 1.00 1.04 O ATOM 706 CB GLN A 48 4.946 11.044 10.003 1.00 0.83 C ATOM 707 CG GLN A 48 4.133 11.653 8.863 1.00 1.00 C ATOM 708 CD GLN A 48 2.623 11.510 8.990 1.00 1.29 C ATOM 709 OE1 GLN A 48 1.881 12.135 8.233 1.00 2.23 O ATOM 710 NE2 GLN A 48 2.145 10.683 9.911 1.00 1.15 N ATOM 0 H GLN A 48 3.158 11.806 12.437 1.00 0.95 H new ATOM 0 HA GLN A 48 5.945 11.787 11.738 1.00 0.84 H new ATOM 0 HB2 GLN A 48 5.977 10.927 9.670 1.00 0.83 H new ATOM 0 HB3 GLN A 48 4.562 10.045 10.209 1.00 0.83 H new ATOM 0 HG2 GLN A 48 4.376 12.713 8.792 1.00 1.00 H new ATOM 0 HG3 GLN A 48 4.447 11.190 7.927 1.00 1.00 H new ATOM 0 HE21 GLN A 48 2.785 10.178 10.525 1.00 1.15 H new ATOM 0 HE22 GLN A 48 1.138 10.552 10.005 1.00 1.15 H new ATOM 719 N ASP A 49 3.348 13.671 10.970 1.00 0.99 N ATOM 720 CA ASP A 49 2.928 15.057 10.730 1.00 1.16 C ATOM 721 C ASP A 49 1.414 15.138 10.568 1.00 1.20 C ATOM 722 O ASP A 49 0.776 16.093 11.014 1.00 1.33 O ATOM 723 CB ASP A 49 3.610 15.618 9.478 1.00 1.28 C ATOM 724 CG ASP A 49 3.302 17.087 9.247 1.00 1.51 C ATOM 725 OD1 ASP A 49 2.605 17.686 10.093 1.00 1.81 O ATOM 726 OD2 ASP A 49 3.748 17.636 8.217 1.00 1.70 O ATOM 0 H ASP A 49 2.578 13.009 11.065 1.00 0.99 H new ATOM 0 HA ASP A 49 3.225 15.653 11.593 1.00 1.16 H new ATOM 0 HB2 ASP A 49 4.688 15.488 9.568 1.00 1.28 H new ATOM 0 HB3 ASP A 49 3.291 15.044 8.608 1.00 1.28 H new ATOM 731 N GLN A 50 0.860 14.121 9.927 1.00 1.19 N ATOM 732 CA GLN A 50 -0.576 14.031 9.682 1.00 1.31 C ATOM 733 C GLN A 50 -1.092 15.210 8.847 1.00 1.33 C ATOM 734 O GLN A 50 -2.120 15.801 9.182 1.00 1.40 O ATOM 735 CB GLN A 50 -1.340 13.997 10.999 1.00 1.42 C ATOM 736 CG GLN A 50 -0.649 13.214 12.095 1.00 1.67 C ATOM 737 CD GLN A 50 -0.760 11.720 11.906 1.00 1.43 C ATOM 738 OE1 GLN A 50 0.336 11.103 11.496 1.00 2.03 O flip ATOM 739 NE2 GLN A 50 -1.824 11.134 12.105 1.00 1.24 N flip ATOM 0 H GLN A 50 1.392 13.332 9.560 1.00 1.19 H new ATOM 0 HA GLN A 50 -0.742 13.109 9.125 1.00 1.31 H new ATOM 0 HB2 GLN A 50 -1.497 15.020 11.342 1.00 1.42 H new ATOM 0 HB3 GLN A 50 -2.325 13.564 10.824 1.00 1.42 H new ATOM 0 HG2 GLN A 50 0.404 13.494 12.127 1.00 1.67 H new ATOM 0 HG3 GLN A 50 -1.081 13.487 13.058 1.00 1.67 H new ATOM 0 HE21 GLN A 50 -2.642 11.655 12.421 1.00 1.24 H new ATOM 0 HE22 GLN A 50 -1.888 10.127 11.954 1.00 1.24 H new ATOM 748 N PRO A 51 -0.401 15.579 7.755 1.00 1.35 N ATOM 749 CA PRO A 51 -0.814 16.689 6.909 1.00 1.46 C ATOM 750 C PRO A 51 -1.722 16.253 5.750 1.00 1.54 C ATOM 751 O PRO A 51 -2.946 16.233 5.888 1.00 2.26 O ATOM 752 CB PRO A 51 0.517 17.231 6.392 1.00 1.52 C ATOM 753 CG PRO A 51 1.485 16.084 6.462 1.00 1.53 C ATOM 754 CD PRO A 51 0.837 14.972 7.252 1.00 1.37 C ATOM 0 HA PRO A 51 -1.411 17.422 7.451 1.00 1.46 H new ATOM 0 HB2 PRO A 51 0.419 17.597 5.370 1.00 1.52 H new ATOM 0 HB3 PRO A 51 0.860 18.069 6.999 1.00 1.52 H new ATOM 0 HG2 PRO A 51 1.741 15.740 5.460 1.00 1.53 H new ATOM 0 HG3 PRO A 51 2.414 16.398 6.938 1.00 1.53 H new ATOM 0 HD2 PRO A 51 0.632 14.103 6.626 1.00 1.37 H new ATOM 0 HD3 PRO A 51 1.477 14.634 8.067 1.00 1.37 H new ATOM 762 N ASP A 52 -1.119 15.919 4.610 1.00 1.24 N ATOM 763 CA ASP A 52 -1.867 15.499 3.430 1.00 1.23 C ATOM 764 C ASP A 52 -1.288 14.213 2.843 1.00 0.91 C ATOM 765 O ASP A 52 -0.499 14.245 1.899 1.00 1.55 O ATOM 766 CB ASP A 52 -1.838 16.613 2.384 1.00 1.67 C ATOM 767 CG ASP A 52 -0.439 17.157 2.168 1.00 2.16 C ATOM 768 OD1 ASP A 52 0.121 17.747 3.115 1.00 2.69 O ATOM 769 OD2 ASP A 52 0.103 16.985 1.056 1.00 2.56 O ATOM 0 H ASP A 52 -0.107 15.932 4.480 1.00 1.24 H new ATOM 0 HA ASP A 52 -2.898 15.301 3.724 1.00 1.23 H new ATOM 0 HB2 ASP A 52 -2.229 16.233 1.440 1.00 1.67 H new ATOM 0 HB3 ASP A 52 -2.497 17.422 2.699 1.00 1.67 H new ATOM 774 N TYR A 53 -1.680 13.085 3.424 1.00 0.76 N ATOM 775 CA TYR A 53 -1.208 11.774 2.993 1.00 1.08 C ATOM 776 C TYR A 53 -1.802 11.366 1.649 1.00 0.87 C ATOM 777 O TYR A 53 -2.984 11.031 1.557 1.00 0.98 O ATOM 778 CB TYR A 53 -1.558 10.755 4.085 1.00 1.83 C ATOM 779 CG TYR A 53 -1.676 9.320 3.628 1.00 2.62 C ATOM 780 CD1 TYR A 53 -0.627 8.721 2.944 1.00 3.32 C ATOM 781 CD2 TYR A 53 -2.819 8.572 3.862 1.00 3.26 C ATOM 782 CE1 TYR A 53 -0.710 7.413 2.509 1.00 4.46 C ATOM 783 CE2 TYR A 53 -2.910 7.260 3.429 1.00 4.34 C ATOM 784 CZ TYR A 53 -1.930 6.672 2.823 1.00 4.90 C ATOM 785 OH TYR A 53 -1.943 5.385 2.320 1.00 6.13 O ATOM 0 H TYR A 53 -2.333 13.053 4.207 1.00 0.76 H new ATOM 0 HA TYR A 53 -0.128 11.812 2.848 1.00 1.08 H new ATOM 0 HB2 TYR A 53 -0.796 10.808 4.863 1.00 1.83 H new ATOM 0 HB3 TYR A 53 -2.502 11.050 4.543 1.00 1.83 H new ATOM 0 HD1 TYR A 53 0.271 9.289 2.748 1.00 3.32 H new ATOM 0 HD2 TYR A 53 -3.649 9.018 4.389 1.00 3.26 H new ATOM 0 HE1 TYR A 53 0.097 6.954 1.957 1.00 4.46 H new ATOM 0 HE2 TYR A 53 -3.825 6.712 3.602 1.00 4.34 H new ATOM 0 HH TYR A 53 -2.784 4.946 2.566 1.00 6.13 H new ATOM 795 N LEU A 54 -0.967 11.374 0.608 1.00 0.72 N ATOM 796 CA LEU A 54 -1.415 10.979 -0.721 1.00 0.59 C ATOM 797 C LEU A 54 -1.442 9.456 -0.810 1.00 0.61 C ATOM 798 O LEU A 54 -0.395 8.808 -0.815 1.00 0.88 O ATOM 799 CB LEU A 54 -0.497 11.556 -1.802 1.00 0.60 C ATOM 800 CG LEU A 54 -0.999 11.398 -3.242 1.00 0.54 C ATOM 801 CD1 LEU A 54 -2.250 12.233 -3.463 1.00 0.92 C ATOM 802 CD2 LEU A 54 0.087 11.792 -4.228 1.00 1.10 C ATOM 0 H LEU A 54 0.014 11.648 0.662 1.00 0.72 H new ATOM 0 HA LEU A 54 -2.417 11.374 -0.888 1.00 0.59 H new ATOM 0 HB2 LEU A 54 -0.349 12.617 -1.601 1.00 0.60 H new ATOM 0 HB3 LEU A 54 0.479 11.077 -1.720 1.00 0.60 H new ATOM 0 HG LEU A 54 -1.251 10.351 -3.408 1.00 0.54 H new ATOM 0 HD11 LEU A 54 -2.593 12.109 -4.490 1.00 0.92 H new ATOM 0 HD12 LEU A 54 -3.032 11.906 -2.777 1.00 0.92 H new ATOM 0 HD13 LEU A 54 -2.023 13.283 -3.280 1.00 0.92 H new ATOM 0 HD21 LEU A 54 -0.285 11.674 -5.246 1.00 1.10 H new ATOM 0 HD22 LEU A 54 0.369 12.832 -4.063 1.00 1.10 H new ATOM 0 HD23 LEU A 54 0.958 11.153 -4.084 1.00 1.10 H new ATOM 814 N ASN A 55 -2.642 8.892 -0.862 1.00 0.50 N ATOM 815 CA ASN A 55 -2.796 7.442 -0.928 1.00 0.58 C ATOM 816 C ASN A 55 -3.145 6.994 -2.339 1.00 0.57 C ATOM 817 O ASN A 55 -3.923 7.645 -3.038 1.00 0.70 O ATOM 818 CB ASN A 55 -3.883 6.980 0.044 1.00 0.82 C ATOM 819 CG ASN A 55 -5.241 7.570 -0.283 1.00 1.80 C ATOM 820 OD1 ASN A 55 -5.419 8.787 -0.276 1.00 2.63 O ATOM 821 ND2 ASN A 55 -6.207 6.705 -0.573 1.00 2.49 N ATOM 0 H ASN A 55 -3.519 9.412 -0.860 1.00 0.50 H new ATOM 0 HA ASN A 55 -1.845 6.990 -0.647 1.00 0.58 H new ATOM 0 HB2 ASN A 55 -3.948 5.892 0.022 1.00 0.82 H new ATOM 0 HB3 ASN A 55 -3.602 7.262 1.059 1.00 0.82 H new ATOM 0 HD21 ASN A 55 -7.142 7.042 -0.802 1.00 2.49 H new ATOM 0 HD22 ASN A 55 -6.014 5.704 -0.567 1.00 2.49 H new ATOM 828 N ALA A 56 -2.560 5.875 -2.751 1.00 0.51 N ATOM 829 CA ALA A 56 -2.799 5.331 -4.081 1.00 0.57 C ATOM 830 C ALA A 56 -2.207 3.933 -4.219 1.00 0.54 C ATOM 831 O ALA A 56 -0.995 3.778 -4.370 1.00 0.75 O ATOM 832 CB ALA A 56 -2.207 6.254 -5.134 1.00 0.61 C ATOM 0 H ALA A 56 -1.916 5.327 -2.181 1.00 0.51 H new ATOM 0 HA ALA A 56 -3.876 5.258 -4.230 1.00 0.57 H new ATOM 0 HB1 ALA A 56 -2.390 5.840 -6.125 1.00 0.61 H new ATOM 0 HB2 ALA A 56 -2.673 7.237 -5.060 1.00 0.61 H new ATOM 0 HB3 ALA A 56 -1.133 6.348 -4.973 1.00 0.61 H new ATOM 838 N ALA A 57 -3.064 2.915 -4.177 1.00 0.31 N ATOM 839 CA ALA A 57 -2.601 1.540 -4.311 1.00 0.29 C ATOM 840 C ALA A 57 -2.276 1.233 -5.767 1.00 0.29 C ATOM 841 O ALA A 57 -2.708 1.957 -6.662 1.00 0.39 O ATOM 842 CB ALA A 57 -3.654 0.579 -3.785 1.00 0.33 C ATOM 0 H ALA A 57 -4.071 3.016 -4.053 1.00 0.31 H new ATOM 0 HA ALA A 57 -1.693 1.415 -3.721 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -3.297 -0.445 -3.890 1.00 0.33 H new ATOM 0 HB2 ALA A 57 -3.846 0.790 -2.733 1.00 0.33 H new ATOM 0 HB3 ALA A 57 -4.576 0.702 -4.354 1.00 0.33 H new ATOM 848 N VAL A 58 -1.520 0.162 -6.007 1.00 0.26 N ATOM 849 CA VAL A 58 -1.160 -0.216 -7.372 1.00 0.27 C ATOM 850 C VAL A 58 -0.947 -1.719 -7.504 1.00 0.27 C ATOM 851 O VAL A 58 -0.188 -2.315 -6.741 1.00 0.28 O ATOM 852 CB VAL A 58 0.121 0.506 -7.847 1.00 0.31 C ATOM 853 CG1 VAL A 58 -0.134 1.994 -8.042 1.00 1.20 C ATOM 854 CG2 VAL A 58 1.261 0.283 -6.864 1.00 0.98 C ATOM 0 H VAL A 58 -1.149 -0.453 -5.283 1.00 0.26 H new ATOM 0 HA VAL A 58 -1.999 0.086 -7.999 1.00 0.27 H new ATOM 0 HB VAL A 58 0.409 0.082 -8.809 1.00 0.31 H new ATOM 0 HG11 VAL A 58 0.783 2.480 -8.376 1.00 1.20 H new ATOM 0 HG12 VAL A 58 -0.913 2.135 -8.791 1.00 1.20 H new ATOM 0 HG13 VAL A 58 -0.455 2.435 -7.098 1.00 1.20 H new ATOM 0 HG21 VAL A 58 2.153 0.800 -7.218 1.00 0.98 H new ATOM 0 HG22 VAL A 58 0.980 0.673 -5.886 1.00 0.98 H new ATOM 0 HG23 VAL A 58 1.468 -0.784 -6.783 1.00 0.98 H new ATOM 864 N ALA A 59 -1.614 -2.330 -8.482 1.00 0.28 N ATOM 865 CA ALA A 59 -1.482 -3.762 -8.704 1.00 0.29 C ATOM 866 C ALA A 59 -0.171 -4.064 -9.419 1.00 0.31 C ATOM 867 O ALA A 59 -0.109 -4.103 -10.647 1.00 0.50 O ATOM 868 CB ALA A 59 -2.658 -4.279 -9.517 1.00 0.31 C ATOM 0 H ALA A 59 -2.246 -1.856 -9.127 1.00 0.28 H new ATOM 0 HA ALA A 59 -1.478 -4.268 -7.738 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -2.547 -5.352 -9.676 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -3.586 -4.086 -8.978 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -2.686 -3.770 -10.481 1.00 0.31 H new ATOM 874 N LEU A 60 0.880 -4.268 -8.629 1.00 0.28 N ATOM 875 CA LEU A 60 2.204 -4.559 -9.163 1.00 0.28 C ATOM 876 C LEU A 60 2.268 -5.957 -9.756 1.00 0.30 C ATOM 877 O LEU A 60 2.135 -6.951 -9.041 1.00 0.33 O ATOM 878 CB LEU A 60 3.261 -4.425 -8.063 1.00 0.29 C ATOM 879 CG LEU A 60 4.685 -4.838 -8.459 1.00 0.29 C ATOM 880 CD1 LEU A 60 5.247 -3.889 -9.503 1.00 0.35 C ATOM 881 CD2 LEU A 60 5.585 -4.878 -7.233 1.00 0.31 C ATOM 0 H LEU A 60 0.838 -4.236 -7.610 1.00 0.28 H new ATOM 0 HA LEU A 60 2.405 -3.838 -9.955 1.00 0.28 H new ATOM 0 HB2 LEU A 60 3.282 -3.388 -7.729 1.00 0.29 H new ATOM 0 HB3 LEU A 60 2.951 -5.029 -7.210 1.00 0.29 H new ATOM 0 HG LEU A 60 4.646 -5.837 -8.893 1.00 0.29 H new ATOM 0 HD11 LEU A 60 6.257 -4.199 -9.770 1.00 0.35 H new ATOM 0 HD12 LEU A 60 4.615 -3.909 -10.391 1.00 0.35 H new ATOM 0 HD13 LEU A 60 5.273 -2.877 -9.098 1.00 0.35 H new ATOM 0 HD21 LEU A 60 6.592 -5.173 -7.530 1.00 0.31 H new ATOM 0 HD22 LEU A 60 5.617 -3.891 -6.773 1.00 0.31 H new ATOM 0 HD23 LEU A 60 5.192 -5.600 -6.517 1.00 0.31 H new ATOM 893 N GLU A 61 2.502 -6.031 -11.058 1.00 0.32 N ATOM 894 CA GLU A 61 2.614 -7.313 -11.730 1.00 0.36 C ATOM 895 C GLU A 61 3.972 -7.905 -11.401 1.00 0.34 C ATOM 896 O GLU A 61 4.963 -7.625 -12.077 1.00 0.36 O ATOM 897 CB GLU A 61 2.468 -7.136 -13.240 1.00 0.43 C ATOM 898 CG GLU A 61 2.237 -8.439 -13.985 1.00 0.52 C ATOM 899 CD GLU A 61 2.064 -8.235 -15.478 1.00 1.37 C ATOM 900 OE1 GLU A 61 3.005 -7.718 -16.119 1.00 1.88 O ATOM 901 OE2 GLU A 61 0.990 -8.588 -16.007 1.00 2.11 O ATOM 0 H GLU A 61 2.617 -5.221 -11.667 1.00 0.32 H new ATOM 0 HA GLU A 61 1.822 -7.981 -11.391 1.00 0.36 H new ATOM 0 HB2 GLU A 61 1.636 -6.461 -13.440 1.00 0.43 H new ATOM 0 HB3 GLU A 61 3.367 -6.658 -13.630 1.00 0.43 H new ATOM 0 HG2 GLU A 61 3.079 -9.108 -13.809 1.00 0.52 H new ATOM 0 HG3 GLU A 61 1.350 -8.930 -13.584 1.00 0.52 H new ATOM 908 N THR A 62 4.023 -8.694 -10.337 1.00 0.34 N ATOM 909 CA THR A 62 5.276 -9.280 -9.903 1.00 0.35 C ATOM 910 C THR A 62 5.135 -10.749 -9.540 1.00 0.39 C ATOM 911 O THR A 62 4.065 -11.214 -9.155 1.00 0.61 O ATOM 912 CB THR A 62 5.809 -8.509 -8.696 1.00 0.40 C ATOM 913 OG1 THR A 62 6.996 -9.104 -8.201 1.00 0.43 O ATOM 914 CG2 THR A 62 4.821 -8.434 -7.552 1.00 0.52 C ATOM 0 H THR A 62 3.216 -8.940 -9.764 1.00 0.34 H new ATOM 0 HA THR A 62 5.973 -9.214 -10.739 1.00 0.35 H new ATOM 0 HB THR A 62 5.998 -7.499 -9.060 1.00 0.40 H new ATOM 0 HG1 THR A 62 7.537 -9.427 -8.951 1.00 0.43 H new ATOM 0 HG21 THR A 62 5.261 -7.874 -6.727 1.00 0.52 H new ATOM 0 HG22 THR A 62 3.913 -7.933 -7.888 1.00 0.52 H new ATOM 0 HG23 THR A 62 4.576 -9.442 -7.216 1.00 0.52 H new ATOM 922 N SER A 63 6.246 -11.458 -9.642 1.00 0.37 N ATOM 923 CA SER A 63 6.301 -12.868 -9.302 1.00 0.48 C ATOM 924 C SER A 63 7.304 -13.063 -8.178 1.00 0.42 C ATOM 925 O SER A 63 7.634 -14.189 -7.805 1.00 0.45 O ATOM 926 CB SER A 63 6.695 -13.704 -10.521 1.00 0.69 C ATOM 927 OG SER A 63 5.761 -13.542 -11.574 1.00 1.22 O ATOM 0 H SER A 63 7.134 -11.072 -9.963 1.00 0.37 H new ATOM 0 HA SER A 63 5.315 -13.200 -8.976 1.00 0.48 H new ATOM 0 HB2 SER A 63 7.687 -13.410 -10.862 1.00 0.69 H new ATOM 0 HB3 SER A 63 6.753 -14.756 -10.241 1.00 0.69 H new ATOM 0 HG SER A 63 6.036 -14.085 -12.342 1.00 1.22 H new ATOM 933 N LEU A 64 7.784 -11.940 -7.649 1.00 0.37 N ATOM 934 CA LEU A 64 8.755 -11.953 -6.563 1.00 0.35 C ATOM 935 C LEU A 64 8.195 -12.725 -5.371 1.00 0.50 C ATOM 936 O LEU A 64 6.979 -12.841 -5.213 1.00 0.82 O ATOM 937 CB LEU A 64 9.110 -10.511 -6.171 1.00 0.49 C ATOM 938 CG LEU A 64 10.487 -10.309 -5.522 1.00 0.48 C ATOM 939 CD1 LEU A 64 10.482 -10.788 -4.084 1.00 0.90 C ATOM 940 CD2 LEU A 64 11.567 -11.025 -6.317 1.00 0.84 C ATOM 0 H LEU A 64 7.513 -11.006 -7.958 1.00 0.37 H new ATOM 0 HA LEU A 64 9.665 -12.454 -6.893 1.00 0.35 H new ATOM 0 HB2 LEU A 64 9.057 -9.889 -7.065 1.00 0.49 H new ATOM 0 HB3 LEU A 64 8.349 -10.145 -5.482 1.00 0.49 H new ATOM 0 HG LEU A 64 10.707 -9.242 -5.526 1.00 0.48 H new ATOM 0 HD11 LEU A 64 11.468 -10.634 -3.646 1.00 0.90 H new ATOM 0 HD12 LEU A 64 9.741 -10.226 -3.516 1.00 0.90 H new ATOM 0 HD13 LEU A 64 10.233 -11.849 -4.055 1.00 0.90 H new ATOM 0 HD21 LEU A 64 12.534 -10.869 -5.840 1.00 0.84 H new ATOM 0 HD22 LEU A 64 11.347 -12.092 -6.350 1.00 0.84 H new ATOM 0 HD23 LEU A 64 11.595 -10.628 -7.332 1.00 0.84 H new ATOM 952 N ALA A 65 9.085 -13.256 -4.536 1.00 0.58 N ATOM 953 CA ALA A 65 8.675 -14.020 -3.366 1.00 0.89 C ATOM 954 C ALA A 65 7.763 -13.195 -2.464 1.00 0.60 C ATOM 955 O ALA A 65 8.057 -12.040 -2.171 1.00 0.59 O ATOM 956 CB ALA A 65 9.896 -14.495 -2.591 1.00 1.41 C ATOM 0 H ALA A 65 10.095 -13.170 -4.650 1.00 0.58 H new ATOM 0 HA ALA A 65 8.114 -14.890 -3.709 1.00 0.89 H new ATOM 0 HB1 ALA A 65 9.575 -15.065 -1.719 1.00 1.41 H new ATOM 0 HB2 ALA A 65 10.510 -15.128 -3.232 1.00 1.41 H new ATOM 0 HB3 ALA A 65 10.479 -13.633 -2.266 1.00 1.41 H new ATOM 962 N PRO A 66 6.639 -13.778 -2.017 1.00 0.50 N ATOM 963 CA PRO A 66 5.683 -13.085 -1.151 1.00 0.40 C ATOM 964 C PRO A 66 6.330 -12.505 0.098 1.00 0.41 C ATOM 965 O PRO A 66 5.780 -11.606 0.730 1.00 0.62 O ATOM 966 CB PRO A 66 4.694 -14.172 -0.735 1.00 0.47 C ATOM 967 CG PRO A 66 4.834 -15.266 -1.738 1.00 0.75 C ATOM 968 CD PRO A 66 6.212 -15.154 -2.333 1.00 0.64 C ATOM 0 HA PRO A 66 5.232 -12.243 -1.677 1.00 0.40 H new ATOM 0 HB2 PRO A 66 4.913 -14.534 0.269 1.00 0.47 H new ATOM 0 HB3 PRO A 66 3.675 -13.786 -0.719 1.00 0.47 H new ATOM 0 HG2 PRO A 66 4.697 -16.239 -1.267 1.00 0.75 H new ATOM 0 HG3 PRO A 66 4.072 -15.177 -2.513 1.00 0.75 H new ATOM 0 HD2 PRO A 66 6.891 -15.889 -1.902 1.00 0.64 H new ATOM 0 HD3 PRO A 66 6.195 -15.327 -3.409 1.00 0.64 H new ATOM 976 N GLU A 67 7.486 -13.040 0.462 1.00 0.40 N ATOM 977 CA GLU A 67 8.191 -12.593 1.653 1.00 0.44 C ATOM 978 C GLU A 67 9.211 -11.509 1.340 1.00 0.37 C ATOM 979 O GLU A 67 9.437 -10.610 2.151 1.00 0.40 O ATOM 980 CB GLU A 67 8.863 -13.783 2.338 1.00 0.57 C ATOM 981 CG GLU A 67 9.493 -14.760 1.363 1.00 0.65 C ATOM 982 CD GLU A 67 10.293 -15.845 2.053 1.00 0.80 C ATOM 983 OE1 GLU A 67 11.266 -15.509 2.759 1.00 1.28 O ATOM 984 OE2 GLU A 67 9.947 -17.033 1.885 1.00 1.19 O ATOM 0 H GLU A 67 7.956 -13.785 -0.052 1.00 0.40 H new ATOM 0 HA GLU A 67 7.457 -12.155 2.330 1.00 0.44 H new ATOM 0 HB2 GLU A 67 9.630 -13.415 3.020 1.00 0.57 H new ATOM 0 HB3 GLU A 67 8.125 -14.309 2.943 1.00 0.57 H new ATOM 0 HG2 GLU A 67 8.710 -15.220 0.760 1.00 0.65 H new ATOM 0 HG3 GLU A 67 10.143 -14.215 0.679 1.00 0.65 H new ATOM 991 N GLU A 68 9.823 -11.583 0.166 1.00 0.34 N ATOM 992 CA GLU A 68 10.810 -10.585 -0.225 1.00 0.31 C ATOM 993 C GLU A 68 10.138 -9.389 -0.886 1.00 0.29 C ATOM 994 O GLU A 68 10.699 -8.299 -0.921 1.00 0.30 O ATOM 995 CB GLU A 68 11.868 -11.180 -1.150 1.00 0.37 C ATOM 996 CG GLU A 68 12.925 -10.171 -1.569 1.00 0.34 C ATOM 997 CD GLU A 68 13.976 -10.771 -2.484 1.00 0.53 C ATOM 998 OE1 GLU A 68 13.606 -11.253 -3.575 1.00 1.21 O ATOM 999 OE2 GLU A 68 15.167 -10.757 -2.109 1.00 1.02 O ATOM 0 H GLU A 68 9.657 -12.314 -0.525 1.00 0.34 H new ATOM 0 HA GLU A 68 11.310 -10.245 0.682 1.00 0.31 H new ATOM 0 HB2 GLU A 68 12.352 -12.018 -0.648 1.00 0.37 H new ATOM 0 HB3 GLU A 68 11.382 -11.579 -2.040 1.00 0.37 H new ATOM 0 HG2 GLU A 68 12.443 -9.335 -2.075 1.00 0.34 H new ATOM 0 HG3 GLU A 68 13.410 -9.768 -0.680 1.00 0.34 H new ATOM 1006 N LEU A 69 8.938 -9.603 -1.417 1.00 0.32 N ATOM 1007 CA LEU A 69 8.196 -8.537 -2.080 1.00 0.36 C ATOM 1008 C LEU A 69 7.996 -7.372 -1.122 1.00 0.35 C ATOM 1009 O LEU A 69 8.512 -6.282 -1.351 1.00 0.41 O ATOM 1010 CB LEU A 69 6.858 -9.080 -2.591 1.00 0.42 C ATOM 1011 CG LEU A 69 5.999 -8.137 -3.452 1.00 0.54 C ATOM 1012 CD1 LEU A 69 5.565 -6.902 -2.679 1.00 1.08 C ATOM 1013 CD2 LEU A 69 6.742 -7.741 -4.718 1.00 1.51 C ATOM 0 H LEU A 69 8.460 -10.504 -1.401 1.00 0.32 H new ATOM 0 HA LEU A 69 8.762 -8.172 -2.937 1.00 0.36 H new ATOM 0 HB2 LEU A 69 7.059 -9.980 -3.173 1.00 0.42 H new ATOM 0 HB3 LEU A 69 6.265 -9.384 -1.728 1.00 0.42 H new ATOM 0 HG LEU A 69 5.097 -8.682 -3.731 1.00 0.54 H new ATOM 0 HD11 LEU A 69 4.961 -6.263 -3.323 1.00 1.08 H new ATOM 0 HD12 LEU A 69 4.977 -7.203 -1.812 1.00 1.08 H new ATOM 0 HD13 LEU A 69 6.446 -6.353 -2.346 1.00 1.08 H new ATOM 0 HD21 LEU A 69 6.118 -7.074 -5.313 1.00 1.51 H new ATOM 0 HD22 LEU A 69 7.668 -7.230 -4.452 1.00 1.51 H new ATOM 0 HD23 LEU A 69 6.974 -8.634 -5.298 1.00 1.51 H new ATOM 1025 N LEU A 70 7.269 -7.605 -0.033 1.00 0.33 N ATOM 1026 CA LEU A 70 7.055 -6.553 0.953 1.00 0.39 C ATOM 1027 C LEU A 70 8.393 -6.092 1.499 1.00 0.42 C ATOM 1028 O LEU A 70 8.637 -4.901 1.661 1.00 0.61 O ATOM 1029 CB LEU A 70 6.165 -7.042 2.103 1.00 0.44 C ATOM 1030 CG LEU A 70 6.007 -6.063 3.276 1.00 0.58 C ATOM 1031 CD1 LEU A 70 4.706 -6.325 4.016 1.00 1.16 C ATOM 1032 CD2 LEU A 70 7.181 -6.184 4.239 1.00 1.01 C ATOM 0 H LEU A 70 6.825 -8.497 0.186 1.00 0.33 H new ATOM 0 HA LEU A 70 6.548 -5.721 0.464 1.00 0.39 H new ATOM 0 HB2 LEU A 70 5.176 -7.267 1.704 1.00 0.44 H new ATOM 0 HB3 LEU A 70 6.575 -7.977 2.485 1.00 0.44 H new ATOM 0 HG LEU A 70 5.987 -5.051 2.871 1.00 0.58 H new ATOM 0 HD11 LEU A 70 4.610 -5.622 4.844 1.00 1.16 H new ATOM 0 HD12 LEU A 70 3.867 -6.197 3.333 1.00 1.16 H new ATOM 0 HD13 LEU A 70 4.706 -7.344 4.403 1.00 1.16 H new ATOM 0 HD21 LEU A 70 7.050 -5.482 5.063 1.00 1.01 H new ATOM 0 HD22 LEU A 70 7.226 -7.200 4.632 1.00 1.01 H new ATOM 0 HD23 LEU A 70 8.108 -5.957 3.713 1.00 1.01 H new ATOM 1044 N ASN A 71 9.252 -7.055 1.794 1.00 0.31 N ATOM 1045 CA ASN A 71 10.567 -6.757 2.343 1.00 0.35 C ATOM 1046 C ASN A 71 11.357 -5.801 1.452 1.00 0.38 C ATOM 1047 O ASN A 71 12.043 -4.912 1.959 1.00 0.45 O ATOM 1048 CB ASN A 71 11.361 -8.038 2.573 1.00 0.36 C ATOM 1049 CG ASN A 71 12.691 -7.761 3.244 1.00 1.06 C ATOM 1050 OD1 ASN A 71 13.606 -7.210 2.635 1.00 1.87 O ATOM 1051 ND2 ASN A 71 12.793 -8.122 4.517 1.00 1.53 N ATOM 0 H ASN A 71 9.063 -8.049 1.663 1.00 0.31 H new ATOM 0 HA ASN A 71 10.407 -6.262 3.301 1.00 0.35 H new ATOM 0 HB2 ASN A 71 10.778 -8.722 3.190 1.00 0.36 H new ATOM 0 HB3 ASN A 71 11.532 -8.536 1.619 1.00 0.36 H new ATOM 0 HD21 ASN A 71 13.657 -7.945 5.030 1.00 1.53 H new ATOM 0 HD22 ASN A 71 12.008 -8.577 4.983 1.00 1.53 H new ATOM 1058 N HIS A 72 11.268 -5.967 0.131 1.00 0.35 N ATOM 1059 CA HIS A 72 11.989 -5.089 -0.770 1.00 0.42 C ATOM 1060 C HIS A 72 11.245 -3.774 -0.915 1.00 0.41 C ATOM 1061 O HIS A 72 11.864 -2.714 -0.994 1.00 0.43 O ATOM 1062 CB HIS A 72 12.245 -5.744 -2.131 1.00 0.51 C ATOM 1063 CG HIS A 72 11.039 -5.955 -2.993 1.00 1.07 C ATOM 1064 ND1 HIS A 72 10.122 -4.966 -3.279 1.00 2.09 N ATOM 1065 CD2 HIS A 72 10.635 -7.049 -3.677 1.00 1.39 C ATOM 1066 CE1 HIS A 72 9.205 -5.447 -4.100 1.00 2.99 C ATOM 1067 NE2 HIS A 72 9.494 -6.707 -4.358 1.00 2.56 N ATOM 0 H HIS A 72 10.712 -6.690 -0.325 1.00 0.35 H new ATOM 0 HA HIS A 72 12.969 -4.890 -0.337 1.00 0.42 H new ATOM 0 HB2 HIS A 72 12.957 -5.128 -2.681 1.00 0.51 H new ATOM 0 HB3 HIS A 72 12.721 -6.710 -1.964 1.00 0.51 H new ATOM 0 HD2 HIS A 72 11.121 -8.014 -3.686 1.00 1.39 H new ATOM 0 HE1 HIS A 72 8.361 -4.900 -4.493 1.00 2.99 H new ATOM 0 HE2 HIS A 72 8.957 -7.327 -4.965 1.00 2.56 H new ATOM 1076 N THR A 73 9.914 -3.834 -0.910 1.00 0.45 N ATOM 1077 CA THR A 73 9.129 -2.606 -0.995 1.00 0.49 C ATOM 1078 C THR A 73 9.538 -1.689 0.154 1.00 0.46 C ATOM 1079 O THR A 73 9.500 -0.467 0.034 1.00 0.47 O ATOM 1080 CB THR A 73 7.622 -2.878 -0.943 1.00 0.58 C ATOM 1081 OG1 THR A 73 7.262 -3.529 0.260 1.00 0.62 O ATOM 1082 CG2 THR A 73 7.120 -3.724 -2.090 1.00 0.66 C ATOM 0 H THR A 73 9.370 -4.695 -0.850 1.00 0.45 H new ATOM 0 HA THR A 73 9.331 -2.131 -1.955 1.00 0.49 H new ATOM 0 HB THR A 73 7.158 -1.894 -1.010 1.00 0.58 H new ATOM 0 HG1 THR A 73 8.069 -3.857 0.708 1.00 0.62 H new ATOM 0 HG21 THR A 73 6.045 -3.875 -1.987 1.00 0.66 H new ATOM 0 HG22 THR A 73 7.327 -3.218 -3.033 1.00 0.66 H new ATOM 0 HG23 THR A 73 7.625 -4.690 -2.078 1.00 0.66 H new ATOM 1090 N GLN A 74 9.963 -2.304 1.260 1.00 0.49 N ATOM 1091 CA GLN A 74 10.417 -1.555 2.426 1.00 0.49 C ATOM 1092 C GLN A 74 11.695 -0.798 2.080 1.00 0.43 C ATOM 1093 O GLN A 74 11.926 0.312 2.558 1.00 0.45 O ATOM 1094 CB GLN A 74 10.698 -2.494 3.609 1.00 0.60 C ATOM 1095 CG GLN A 74 9.528 -3.390 4.002 1.00 0.65 C ATOM 1096 CD GLN A 74 8.261 -2.627 4.357 1.00 0.87 C ATOM 1097 OE1 GLN A 74 7.198 -3.224 4.532 1.00 1.66 O ATOM 1098 NE2 GLN A 74 8.359 -1.308 4.490 1.00 1.05 N ATOM 0 H GLN A 74 10.001 -3.317 1.369 1.00 0.49 H new ATOM 0 HA GLN A 74 9.629 -0.857 2.711 1.00 0.49 H new ATOM 0 HB2 GLN A 74 11.553 -3.123 3.361 1.00 0.60 H new ATOM 0 HB3 GLN A 74 10.984 -1.893 4.472 1.00 0.60 H new ATOM 0 HG2 GLN A 74 9.312 -4.071 3.179 1.00 0.65 H new ATOM 0 HG3 GLN A 74 9.822 -4.003 4.854 1.00 0.65 H new ATOM 0 HE21 GLN A 74 9.255 -0.845 4.338 1.00 1.05 H new ATOM 0 HE22 GLN A 74 7.538 -0.759 4.744 1.00 1.05 H new ATOM 1107 N ARG A 75 12.518 -1.423 1.244 1.00 0.44 N ATOM 1108 CA ARG A 75 13.780 -0.834 0.816 1.00 0.46 C ATOM 1109 C ARG A 75 13.554 0.457 0.036 1.00 0.43 C ATOM 1110 O ARG A 75 14.419 1.330 0.010 1.00 0.52 O ATOM 1111 CB ARG A 75 14.571 -1.837 -0.030 1.00 0.59 C ATOM 1112 CG ARG A 75 15.799 -1.245 -0.708 1.00 1.17 C ATOM 1113 CD ARG A 75 16.792 -0.702 0.309 1.00 1.93 C ATOM 1114 NE ARG A 75 17.261 -1.734 1.232 1.00 2.51 N ATOM 1115 CZ ARG A 75 17.964 -2.800 0.860 1.00 2.97 C ATOM 1116 NH1 ARG A 75 18.293 -2.975 -0.414 1.00 3.08 N ATOM 1117 NH2 ARG A 75 18.346 -3.690 1.766 1.00 3.82 N ATOM 0 H ARG A 75 12.331 -2.344 0.848 1.00 0.44 H new ATOM 0 HA ARG A 75 14.357 -0.588 1.708 1.00 0.46 H new ATOM 0 HB2 ARG A 75 14.884 -2.665 0.606 1.00 0.59 H new ATOM 0 HB3 ARG A 75 13.912 -2.252 -0.793 1.00 0.59 H new ATOM 0 HG2 ARG A 75 16.282 -2.008 -1.318 1.00 1.17 H new ATOM 0 HG3 ARG A 75 15.493 -0.445 -1.382 1.00 1.17 H new ATOM 0 HD2 ARG A 75 17.645 -0.271 -0.214 1.00 1.93 H new ATOM 0 HD3 ARG A 75 16.325 0.104 0.875 1.00 1.93 H new ATOM 0 HE ARG A 75 17.035 -1.630 2.221 1.00 2.51 H new ATOM 0 HH11 ARG A 75 18.007 -2.290 -1.113 1.00 3.08 H new ATOM 0 HH12 ARG A 75 18.832 -3.794 -0.694 1.00 3.08 H new ATOM 0 HH21 ARG A 75 18.101 -3.557 2.747 1.00 3.82 H new ATOM 0 HH22 ARG A 75 18.885 -4.508 1.482 1.00 3.82 H new ATOM 1131 N ILE A 76 12.383 0.585 -0.584 1.00 0.43 N ATOM 1132 CA ILE A 76 12.061 1.785 -1.343 1.00 0.48 C ATOM 1133 C ILE A 76 11.991 2.969 -0.400 1.00 0.49 C ATOM 1134 O ILE A 76 12.300 4.103 -0.768 1.00 0.60 O ATOM 1135 CB ILE A 76 10.727 1.650 -2.105 1.00 0.53 C ATOM 1136 CG1 ILE A 76 10.782 0.445 -3.049 1.00 0.62 C ATOM 1137 CG2 ILE A 76 10.429 2.926 -2.878 1.00 0.64 C ATOM 1138 CD1 ILE A 76 9.518 0.239 -3.853 1.00 1.42 C ATOM 0 H ILE A 76 11.649 -0.123 -0.575 1.00 0.43 H new ATOM 0 HA ILE A 76 12.847 1.934 -2.083 1.00 0.48 H new ATOM 0 HB ILE A 76 9.923 1.491 -1.386 1.00 0.53 H new ATOM 0 HG12 ILE A 76 11.620 0.570 -3.734 1.00 0.62 H new ATOM 0 HG13 ILE A 76 10.980 -0.453 -2.464 1.00 0.62 H new ATOM 0 HG21 ILE A 76 9.485 2.816 -3.411 1.00 0.64 H new ATOM 0 HG22 ILE A 76 10.359 3.764 -2.184 1.00 0.64 H new ATOM 0 HG23 ILE A 76 11.230 3.113 -3.593 1.00 0.64 H new ATOM 0 HD11 ILE A 76 9.634 -0.633 -4.497 1.00 1.42 H new ATOM 0 HD12 ILE A 76 8.678 0.081 -3.176 1.00 1.42 H new ATOM 0 HD13 ILE A 76 9.329 1.120 -4.466 1.00 1.42 H new ATOM 1150 N GLU A 77 11.603 2.679 0.834 1.00 0.45 N ATOM 1151 CA GLU A 77 11.507 3.692 1.868 1.00 0.52 C ATOM 1152 C GLU A 77 12.870 4.332 2.100 1.00 0.52 C ATOM 1153 O GLU A 77 12.970 5.522 2.394 1.00 0.71 O ATOM 1154 CB GLU A 77 10.992 3.064 3.159 1.00 0.59 C ATOM 1155 CG GLU A 77 9.595 2.481 3.043 1.00 0.95 C ATOM 1156 CD GLU A 77 9.096 1.902 4.352 1.00 1.15 C ATOM 1157 OE1 GLU A 77 9.756 0.983 4.882 1.00 1.59 O ATOM 1158 OE2 GLU A 77 8.047 2.363 4.843 1.00 1.52 O ATOM 0 H GLU A 77 11.348 1.741 1.142 1.00 0.45 H new ATOM 0 HA GLU A 77 10.809 4.465 1.548 1.00 0.52 H new ATOM 0 HB2 GLU A 77 11.679 2.277 3.468 1.00 0.59 H new ATOM 0 HB3 GLU A 77 10.996 3.818 3.946 1.00 0.59 H new ATOM 0 HG2 GLU A 77 8.908 3.258 2.708 1.00 0.95 H new ATOM 0 HG3 GLU A 77 9.592 1.702 2.281 1.00 0.95 H new ATOM 1165 N LEU A 78 13.917 3.525 1.954 1.00 0.47 N ATOM 1166 CA LEU A 78 15.282 3.999 2.135 1.00 0.56 C ATOM 1167 C LEU A 78 15.807 4.611 0.844 1.00 0.57 C ATOM 1168 O LEU A 78 16.583 5.568 0.870 1.00 0.66 O ATOM 1169 CB LEU A 78 16.190 2.849 2.578 1.00 0.63 C ATOM 1170 CG LEU A 78 15.782 2.165 3.884 1.00 0.71 C ATOM 1171 CD1 LEU A 78 16.731 1.023 4.204 1.00 0.83 C ATOM 1172 CD2 LEU A 78 15.751 3.169 5.029 1.00 0.84 C ATOM 0 H LEU A 78 13.844 2.537 1.710 1.00 0.47 H new ATOM 0 HA LEU A 78 15.281 4.765 2.910 1.00 0.56 H new ATOM 0 HB2 LEU A 78 16.214 2.100 1.786 1.00 0.63 H new ATOM 0 HB3 LEU A 78 17.205 3.230 2.688 1.00 0.63 H new ATOM 0 HG LEU A 78 14.779 1.757 3.759 1.00 0.71 H new ATOM 0 HD11 LEU A 78 16.426 0.547 5.136 1.00 0.83 H new ATOM 0 HD12 LEU A 78 16.704 0.291 3.397 1.00 0.83 H new ATOM 0 HD13 LEU A 78 17.744 1.411 4.309 1.00 0.83 H new ATOM 0 HD21 LEU A 78 15.459 2.663 5.949 1.00 0.84 H new ATOM 0 HD22 LEU A 78 16.741 3.608 5.155 1.00 0.84 H new ATOM 0 HD23 LEU A 78 15.031 3.956 4.803 1.00 0.84 H new ATOM 1184 N GLN A 79 15.373 4.057 -0.286 1.00 0.56 N ATOM 1185 CA GLN A 79 15.795 4.556 -1.589 1.00 0.63 C ATOM 1186 C GLN A 79 15.289 5.977 -1.804 1.00 0.66 C ATOM 1187 O GLN A 79 15.853 6.739 -2.588 1.00 0.84 O ATOM 1188 CB GLN A 79 15.278 3.644 -2.703 1.00 0.67 C ATOM 1189 CG GLN A 79 15.729 2.199 -2.559 1.00 0.93 C ATOM 1190 CD GLN A 79 15.317 1.323 -3.732 1.00 1.22 C ATOM 1191 OE1 GLN A 79 15.613 0.128 -3.757 1.00 1.95 O ATOM 1192 NE2 GLN A 79 14.630 1.908 -4.710 1.00 1.30 N ATOM 0 H GLN A 79 14.731 3.265 -0.324 1.00 0.56 H new ATOM 0 HA GLN A 79 16.885 4.563 -1.617 1.00 0.63 H new ATOM 0 HB2 GLN A 79 14.189 3.677 -2.713 1.00 0.67 H new ATOM 0 HB3 GLN A 79 15.618 4.029 -3.664 1.00 0.67 H new ATOM 0 HG2 GLN A 79 16.814 2.172 -2.457 1.00 0.93 H new ATOM 0 HG3 GLN A 79 15.312 1.785 -1.641 1.00 0.93 H new ATOM 0 HE21 GLN A 79 14.405 2.901 -4.652 1.00 1.30 H new ATOM 0 HE22 GLN A 79 14.329 1.363 -5.518 1.00 1.30 H new ATOM 1201 N GLN A 80 14.224 6.330 -1.088 1.00 0.54 N ATOM 1202 CA GLN A 80 13.639 7.656 -1.181 1.00 0.59 C ATOM 1203 C GLN A 80 14.048 8.481 0.032 1.00 0.68 C ATOM 1204 O GLN A 80 13.733 9.666 0.133 1.00 0.78 O ATOM 1205 CB GLN A 80 12.114 7.547 -1.264 1.00 0.54 C ATOM 1206 CG GLN A 80 11.410 8.867 -1.532 1.00 0.99 C ATOM 1207 CD GLN A 80 11.807 9.482 -2.860 1.00 0.98 C ATOM 1208 OE1 GLN A 80 12.949 9.893 -3.055 1.00 1.68 O ATOM 1209 NE2 GLN A 80 10.859 9.535 -3.788 1.00 0.74 N ATOM 0 H GLN A 80 13.749 5.708 -0.434 1.00 0.54 H new ATOM 0 HA GLN A 80 14.002 8.151 -2.082 1.00 0.59 H new ATOM 0 HB2 GLN A 80 11.854 6.842 -2.054 1.00 0.54 H new ATOM 0 HB3 GLN A 80 11.739 7.131 -0.329 1.00 0.54 H new ATOM 0 HG2 GLN A 80 10.332 8.709 -1.517 1.00 0.99 H new ATOM 0 HG3 GLN A 80 11.640 9.567 -0.729 1.00 0.99 H new ATOM 0 HE21 GLN A 80 9.924 9.182 -3.583 1.00 0.74 H new ATOM 0 HE22 GLN A 80 11.065 9.929 -4.706 1.00 0.74 H new ATOM 1218 N GLY A 81 14.756 7.832 0.954 1.00 0.74 N ATOM 1219 CA GLY A 81 15.207 8.502 2.156 1.00 0.88 C ATOM 1220 C GLY A 81 14.066 8.797 3.105 1.00 0.89 C ATOM 1221 O GLY A 81 13.553 9.914 3.135 1.00 0.99 O ATOM 0 H GLY A 81 15.025 6.850 0.886 1.00 0.74 H new ATOM 0 HA2 GLY A 81 15.947 7.881 2.661 1.00 0.88 H new ATOM 0 HA3 GLY A 81 15.704 9.434 1.886 1.00 0.88 H new ATOM 1225 N ARG A 82 13.670 7.797 3.888 1.00 0.95 N ATOM 1226 CA ARG A 82 12.602 7.963 4.834 1.00 1.07 C ATOM 1227 C ARG A 82 13.162 8.418 6.173 1.00 1.09 C ATOM 1228 O ARG A 82 13.894 7.686 6.838 1.00 1.50 O ATOM 1229 CB ARG A 82 11.840 6.651 4.986 1.00 1.34 C ATOM 1230 CG ARG A 82 11.186 6.521 6.335 1.00 1.78 C ATOM 1231 CD ARG A 82 10.552 5.154 6.535 1.00 2.05 C ATOM 1232 NE ARG A 82 11.552 4.091 6.593 1.00 2.68 N ATOM 1233 CZ ARG A 82 11.264 2.825 6.875 1.00 3.14 C ATOM 1234 NH1 ARG A 82 10.015 2.470 7.145 1.00 3.20 N ATOM 1235 NH2 ARG A 82 12.226 1.914 6.896 1.00 3.90 N ATOM 0 H ARG A 82 14.083 6.864 3.876 1.00 0.95 H new ATOM 0 HA ARG A 82 11.912 8.726 4.472 1.00 1.07 H new ATOM 0 HB2 ARG A 82 11.079 6.584 4.208 1.00 1.34 H new ATOM 0 HB3 ARG A 82 12.525 5.817 4.835 1.00 1.34 H new ATOM 0 HG2 ARG A 82 11.928 6.693 7.115 1.00 1.78 H new ATOM 0 HG3 ARG A 82 10.424 7.293 6.444 1.00 1.78 H new ATOM 0 HD2 ARG A 82 9.970 5.155 7.457 1.00 2.05 H new ATOM 0 HD3 ARG A 82 9.857 4.954 5.720 1.00 2.05 H new ATOM 0 HE ARG A 82 12.525 4.334 6.407 1.00 2.68 H new ATOM 0 HH11 ARG A 82 9.273 3.170 7.136 1.00 3.20 H new ATOM 0 HH12 ARG A 82 9.797 1.497 7.361 1.00 3.20 H new ATOM 0 HH21 ARG A 82 13.189 2.184 6.696 1.00 3.90 H new ATOM 0 HH22 ARG A 82 12.004 0.942 7.113 1.00 3.90 H new ATOM 1249 N VAL A 83 12.812 9.632 6.553 1.00 1.01 N ATOM 1250 CA VAL A 83 13.271 10.202 7.805 1.00 1.24 C ATOM 1251 C VAL A 83 12.406 9.701 8.956 1.00 1.17 C ATOM 1252 O VAL A 83 11.244 9.355 8.752 1.00 1.65 O ATOM 1253 CB VAL A 83 13.262 11.733 7.748 1.00 1.94 C ATOM 1254 CG1 VAL A 83 14.051 12.320 8.909 1.00 2.77 C ATOM 1255 CG2 VAL A 83 13.811 12.208 6.409 1.00 2.45 C ATOM 0 H VAL A 83 12.207 10.246 6.008 1.00 1.01 H new ATOM 0 HA VAL A 83 14.299 9.881 7.973 1.00 1.24 H new ATOM 0 HB VAL A 83 12.234 12.083 7.840 1.00 1.94 H new ATOM 0 HG11 VAL A 83 14.032 13.408 8.849 1.00 2.77 H new ATOM 0 HG12 VAL A 83 13.605 12.001 9.851 1.00 2.77 H new ATOM 0 HG13 VAL A 83 15.083 11.972 8.860 1.00 2.77 H new ATOM 0 HG21 VAL A 83 13.801 13.297 6.377 1.00 2.45 H new ATOM 0 HG22 VAL A 83 14.834 11.851 6.288 1.00 2.45 H new ATOM 0 HG23 VAL A 83 13.192 11.816 5.602 1.00 2.45 H new ATOM 1265 N ARG A 84 13.007 9.609 10.144 1.00 1.26 N ATOM 1266 CA ARG A 84 12.336 9.090 11.340 1.00 1.64 C ATOM 1267 C ARG A 84 12.452 7.574 11.347 1.00 1.64 C ATOM 1268 O ARG A 84 12.476 6.942 12.403 1.00 2.28 O ATOM 1269 CB ARG A 84 10.862 9.506 11.410 1.00 2.64 C ATOM 1270 CG ARG A 84 10.651 11.005 11.536 1.00 3.46 C ATOM 1271 CD ARG A 84 9.173 11.347 11.520 1.00 4.08 C ATOM 1272 NE ARG A 84 8.935 12.786 11.634 1.00 4.79 N ATOM 1273 CZ ARG A 84 9.264 13.508 12.703 1.00 5.36 C ATOM 1274 NH1 ARG A 84 9.835 12.933 13.753 1.00 5.36 N ATOM 1275 NH2 ARG A 84 9.015 14.810 12.723 1.00 6.26 N ATOM 0 H ARG A 84 13.974 9.892 10.305 1.00 1.26 H new ATOM 0 HA ARG A 84 12.825 9.516 12.216 1.00 1.64 H new ATOM 0 HB2 ARG A 84 10.352 9.151 10.515 1.00 2.64 H new ATOM 0 HB3 ARG A 84 10.395 9.010 12.261 1.00 2.64 H new ATOM 0 HG2 ARG A 84 11.101 11.363 12.462 1.00 3.46 H new ATOM 0 HG3 ARG A 84 11.156 11.517 10.717 1.00 3.46 H new ATOM 0 HD2 ARG A 84 8.727 10.979 10.596 1.00 4.08 H new ATOM 0 HD3 ARG A 84 8.674 10.832 12.341 1.00 4.08 H new ATOM 0 HE ARG A 84 8.492 13.264 10.849 1.00 4.79 H new ATOM 0 HH11 ARG A 84 10.025 11.931 13.745 1.00 5.36 H new ATOM 0 HH12 ARG A 84 10.084 13.493 14.568 1.00 5.36 H new ATOM 0 HH21 ARG A 84 8.572 15.257 11.920 1.00 6.26 H new ATOM 0 HH22 ARG A 84 9.266 15.365 13.541 1.00 6.26 H new ATOM 1289 N LYS A 85 12.561 7.013 10.145 1.00 1.79 N ATOM 1290 CA LYS A 85 12.720 5.578 9.960 1.00 2.53 C ATOM 1291 C LYS A 85 11.511 4.786 10.443 1.00 2.61 C ATOM 1292 O LYS A 85 10.711 4.316 9.636 1.00 3.08 O ATOM 1293 CB LYS A 85 13.993 5.116 10.661 1.00 3.13 C ATOM 1294 CG LYS A 85 15.244 5.795 10.123 1.00 3.58 C ATOM 1295 CD LYS A 85 16.486 5.355 10.879 1.00 4.39 C ATOM 1296 CE LYS A 85 17.742 5.990 10.302 1.00 5.02 C ATOM 1297 NZ LYS A 85 17.678 7.477 10.337 1.00 5.50 N ATOM 0 H LYS A 85 12.541 7.543 9.274 1.00 1.79 H new ATOM 0 HA LYS A 85 12.800 5.385 8.890 1.00 2.53 H new ATOM 0 HB2 LYS A 85 13.907 5.317 11.729 1.00 3.13 H new ATOM 0 HB3 LYS A 85 14.094 4.037 10.547 1.00 3.13 H new ATOM 0 HG2 LYS A 85 15.359 5.561 9.065 1.00 3.58 H new ATOM 0 HG3 LYS A 85 15.134 6.877 10.200 1.00 3.58 H new ATOM 0 HD2 LYS A 85 16.389 5.627 11.930 1.00 4.39 H new ATOM 0 HD3 LYS A 85 16.573 4.269 10.837 1.00 4.39 H new ATOM 0 HE2 LYS A 85 18.612 5.651 10.865 1.00 5.02 H new ATOM 0 HE3 LYS A 85 17.878 5.656 9.273 1.00 5.02 H new ATOM 0 HZ1 LYS A 85 18.622 7.870 10.146 1.00 5.50 H new ATOM 0 HZ2 LYS A 85 17.010 7.813 9.614 1.00 5.50 H new ATOM 0 HZ3 LYS A 85 17.357 7.789 11.276 1.00 5.50 H new ATOM 1311 N ALA A 86 11.391 4.620 11.754 1.00 2.48 N ATOM 1312 CA ALA A 86 10.285 3.858 12.321 1.00 2.58 C ATOM 1313 C ALA A 86 8.939 4.374 11.825 1.00 2.00 C ATOM 1314 O ALA A 86 8.514 5.477 12.168 1.00 1.95 O ATOM 1315 CB ALA A 86 10.341 3.905 13.842 1.00 3.19 C ATOM 0 H ALA A 86 12.042 5.000 12.442 1.00 2.48 H new ATOM 0 HA ALA A 86 10.386 2.824 11.991 1.00 2.58 H new ATOM 0 HB1 ALA A 86 9.510 3.333 14.255 1.00 3.19 H new ATOM 0 HB2 ALA A 86 11.283 3.476 14.185 1.00 3.19 H new ATOM 0 HB3 ALA A 86 10.270 4.940 14.177 1.00 3.19 H new ATOM 1321 N GLU A 87 8.274 3.553 11.022 1.00 2.01 N ATOM 1322 CA GLU A 87 6.967 3.886 10.471 1.00 1.67 C ATOM 1323 C GLU A 87 5.959 2.784 10.787 1.00 1.90 C ATOM 1324 O GLU A 87 6.021 1.696 10.214 1.00 2.39 O ATOM 1325 CB GLU A 87 7.079 4.114 8.956 1.00 2.04 C ATOM 1326 CG GLU A 87 5.747 4.287 8.241 1.00 2.47 C ATOM 1327 CD GLU A 87 5.015 2.977 8.021 1.00 3.23 C ATOM 1328 OE1 GLU A 87 5.561 2.103 7.315 1.00 3.66 O ATOM 1329 OE2 GLU A 87 3.899 2.822 8.559 1.00 3.80 O ATOM 0 H GLU A 87 8.625 2.639 10.735 1.00 2.01 H new ATOM 0 HA GLU A 87 6.611 4.808 10.932 1.00 1.67 H new ATOM 0 HB2 GLU A 87 7.689 5.000 8.779 1.00 2.04 H new ATOM 0 HB3 GLU A 87 7.607 3.270 8.513 1.00 2.04 H new ATOM 0 HG2 GLU A 87 5.114 4.957 8.823 1.00 2.47 H new ATOM 0 HG3 GLU A 87 5.918 4.767 7.277 1.00 2.47 H new ATOM 1336 N ARG A 88 5.031 3.067 11.694 1.00 1.97 N ATOM 1337 CA ARG A 88 4.014 2.090 12.059 1.00 2.47 C ATOM 1338 C ARG A 88 2.687 2.444 11.399 1.00 2.28 C ATOM 1339 O ARG A 88 2.126 1.654 10.645 1.00 2.54 O ATOM 1340 CB ARG A 88 3.853 2.028 13.579 1.00 2.97 C ATOM 1341 CG ARG A 88 5.152 1.741 14.311 1.00 3.30 C ATOM 1342 CD ARG A 88 4.931 1.591 15.807 1.00 3.95 C ATOM 1343 NE ARG A 88 6.186 1.394 16.526 1.00 4.47 N ATOM 1344 CZ ARG A 88 6.263 1.184 17.836 1.00 5.01 C ATOM 1345 NH1 ARG A 88 5.160 1.119 18.569 1.00 5.17 N ATOM 1346 NH2 ARG A 88 7.447 1.032 18.416 1.00 5.74 N ATOM 0 H ARG A 88 4.962 3.958 12.186 1.00 1.97 H new ATOM 0 HA ARG A 88 4.330 1.108 11.706 1.00 2.47 H new ATOM 0 HB2 ARG A 88 3.447 2.975 13.933 1.00 2.97 H new ATOM 0 HB3 ARG A 88 3.125 1.256 13.829 1.00 2.97 H new ATOM 0 HG2 ARG A 88 5.599 0.829 13.916 1.00 3.30 H new ATOM 0 HG3 ARG A 88 5.860 2.549 14.127 1.00 3.30 H new ATOM 0 HD2 ARG A 88 4.429 2.479 16.190 1.00 3.95 H new ATOM 0 HD3 ARG A 88 4.269 0.745 15.993 1.00 3.95 H new ATOM 0 HE ARG A 88 7.055 1.419 15.992 1.00 4.47 H new ATOM 0 HH11 ARG A 88 4.247 1.230 18.128 1.00 5.17 H new ATOM 0 HH12 ARG A 88 5.224 0.958 19.574 1.00 5.17 H new ATOM 0 HH21 ARG A 88 8.299 1.076 17.856 1.00 5.74 H new ATOM 0 HH22 ARG A 88 7.505 0.871 19.421 1.00 5.74 H new ATOM 1360 N TRP A 89 2.210 3.654 11.673 1.00 1.98 N ATOM 1361 CA TRP A 89 0.967 4.135 11.087 1.00 1.91 C ATOM 1362 C TRP A 89 1.220 5.411 10.290 1.00 1.60 C ATOM 1363 O TRP A 89 0.599 5.642 9.252 1.00 1.71 O ATOM 1364 CB TRP A 89 -0.083 4.398 12.170 1.00 2.11 C ATOM 1365 CG TRP A 89 -0.383 3.202 13.024 1.00 2.00 C ATOM 1366 CD1 TRP A 89 -1.308 2.231 12.776 1.00 2.28 C ATOM 1367 CD2 TRP A 89 0.225 2.869 14.278 1.00 2.29 C ATOM 1368 NE1 TRP A 89 -1.298 1.300 13.788 1.00 2.69 N ATOM 1369 CE2 TRP A 89 -0.368 1.673 14.723 1.00 2.74 C ATOM 1370 CE3 TRP A 89 1.218 3.461 15.065 1.00 2.65 C ATOM 1371 CZ2 TRP A 89 -0.003 1.059 15.919 1.00 3.44 C ATOM 1372 CZ3 TRP A 89 1.579 2.852 16.252 1.00 3.33 C ATOM 1373 CH2 TRP A 89 0.971 1.661 16.669 1.00 3.70 C ATOM 0 H TRP A 89 2.667 4.319 12.298 1.00 1.98 H new ATOM 0 HA TRP A 89 0.587 3.363 10.418 1.00 1.91 H new ATOM 0 HB2 TRP A 89 0.262 5.211 12.808 1.00 2.11 H new ATOM 0 HB3 TRP A 89 -1.005 4.735 11.695 1.00 2.11 H new ATOM 0 HD1 TRP A 89 -1.954 2.198 11.911 1.00 2.28 H new ATOM 0 HE1 TRP A 89 -1.886 0.468 13.835 1.00 2.69 H new ATOM 0 HE3 TRP A 89 1.694 4.378 14.751 1.00 2.65 H new ATOM 0 HZ2 TRP A 89 -0.472 0.141 16.243 1.00 3.44 H new ATOM 0 HZ3 TRP A 89 2.343 3.302 16.869 1.00 3.33 H new ATOM 0 HH2 TRP A 89 1.277 1.209 17.601 1.00 3.70 H new ATOM 1384 N GLY A 90 2.138 6.235 10.792 1.00 1.35 N ATOM 1385 CA GLY A 90 2.472 7.484 10.134 1.00 1.15 C ATOM 1386 C GLY A 90 3.071 7.284 8.759 1.00 1.08 C ATOM 1387 O GLY A 90 4.071 6.586 8.618 1.00 1.29 O ATOM 0 H GLY A 90 2.659 6.056 11.650 1.00 1.35 H new ATOM 0 HA2 GLY A 90 1.573 8.095 10.048 1.00 1.15 H new ATOM 0 HA3 GLY A 90 3.176 8.039 10.754 1.00 1.15 H new ATOM 1391 N PRO A 91 2.484 7.891 7.715 1.00 0.96 N ATOM 1392 CA PRO A 91 2.986 7.763 6.342 1.00 1.07 C ATOM 1393 C PRO A 91 4.406 8.303 6.186 1.00 1.17 C ATOM 1394 O PRO A 91 5.153 7.856 5.314 1.00 1.60 O ATOM 1395 CB PRO A 91 2.003 8.608 5.520 1.00 1.09 C ATOM 1396 CG PRO A 91 0.783 8.703 6.367 1.00 1.09 C ATOM 1397 CD PRO A 91 1.286 8.750 7.778 1.00 0.91 C ATOM 0 HA PRO A 91 3.041 6.720 6.029 1.00 1.07 H new ATOM 0 HB2 PRO A 91 2.413 9.595 5.305 1.00 1.09 H new ATOM 0 HB3 PRO A 91 1.783 8.138 4.561 1.00 1.09 H new ATOM 0 HG2 PRO A 91 0.205 9.595 6.125 1.00 1.09 H new ATOM 0 HG3 PRO A 91 0.128 7.846 6.211 1.00 1.09 H new ATOM 0 HD2 PRO A 91 1.530 9.766 8.089 1.00 0.91 H new ATOM 0 HD3 PRO A 91 0.549 8.369 8.485 1.00 0.91 H new ATOM 1405 N ARG A 92 4.768 9.269 7.029 1.00 0.93 N ATOM 1406 CA ARG A 92 6.093 9.878 6.977 1.00 1.03 C ATOM 1407 C ARG A 92 6.382 10.354 5.554 1.00 1.13 C ATOM 1408 O ARG A 92 5.661 11.195 5.014 1.00 1.95 O ATOM 1409 CB ARG A 92 7.165 8.883 7.450 1.00 1.21 C ATOM 1410 CG ARG A 92 8.300 9.528 8.240 1.00 1.04 C ATOM 1411 CD ARG A 92 8.876 10.738 7.524 1.00 1.71 C ATOM 1412 NE ARG A 92 9.679 11.563 8.422 1.00 2.57 N ATOM 1413 CZ ARG A 92 10.247 12.713 8.069 1.00 3.53 C ATOM 1414 NH1 ARG A 92 10.142 13.160 6.829 1.00 3.96 N ATOM 1415 NH2 ARG A 92 10.934 13.413 8.963 1.00 4.39 N ATOM 0 H ARG A 92 4.160 9.646 7.756 1.00 0.93 H new ATOM 0 HA ARG A 92 6.118 10.737 7.648 1.00 1.03 H new ATOM 0 HB2 ARG A 92 6.692 8.121 8.069 1.00 1.21 H new ATOM 0 HB3 ARG A 92 7.583 8.374 6.582 1.00 1.21 H new ATOM 0 HG2 ARG A 92 7.934 9.828 9.222 1.00 1.04 H new ATOM 0 HG3 ARG A 92 9.089 8.795 8.405 1.00 1.04 H new ATOM 0 HD2 ARG A 92 9.490 10.407 6.686 1.00 1.71 H new ATOM 0 HD3 ARG A 92 8.065 11.336 7.108 1.00 1.71 H new ATOM 0 HE ARG A 92 9.813 11.237 9.379 1.00 2.57 H new ATOM 0 HH11 ARG A 92 9.623 12.622 6.135 1.00 3.96 H new ATOM 0 HH12 ARG A 92 10.580 14.043 6.566 1.00 3.96 H new ATOM 0 HH21 ARG A 92 11.026 13.069 9.919 1.00 4.39 H new ATOM 0 HH22 ARG A 92 11.370 14.295 8.694 1.00 4.39 H new ATOM 1429 N THR A 93 7.418 9.798 4.941 1.00 0.94 N ATOM 1430 CA THR A 93 7.777 10.148 3.574 1.00 0.91 C ATOM 1431 C THR A 93 7.249 9.087 2.618 1.00 0.83 C ATOM 1432 O THR A 93 6.800 9.388 1.515 1.00 1.08 O ATOM 1433 CB THR A 93 9.295 10.273 3.431 1.00 1.02 C ATOM 1434 OG1 THR A 93 9.937 9.081 3.846 1.00 1.52 O ATOM 1435 CG2 THR A 93 9.884 11.415 4.227 1.00 1.47 C ATOM 0 H THR A 93 8.026 9.101 5.370 1.00 0.94 H new ATOM 0 HA THR A 93 7.328 11.111 3.329 1.00 0.91 H new ATOM 0 HB THR A 93 9.468 10.468 2.373 1.00 1.02 H new ATOM 0 HG1 THR A 93 10.314 8.624 3.066 1.00 1.52 H new ATOM 0 HG21 THR A 93 10.963 11.443 4.078 1.00 1.47 H new ATOM 0 HG22 THR A 93 9.447 12.356 3.892 1.00 1.47 H new ATOM 0 HG23 THR A 93 9.667 11.271 5.285 1.00 1.47 H new ATOM 1443 N LEU A 94 7.303 7.841 3.065 1.00 0.68 N ATOM 1444 CA LEU A 94 6.832 6.717 2.270 1.00 0.64 C ATOM 1445 C LEU A 94 6.188 5.669 3.169 1.00 0.56 C ATOM 1446 O LEU A 94 6.477 5.603 4.365 1.00 0.71 O ATOM 1447 CB LEU A 94 7.997 6.108 1.482 1.00 0.72 C ATOM 1448 CG LEU A 94 7.635 4.927 0.581 1.00 1.00 C ATOM 1449 CD1 LEU A 94 6.624 5.345 -0.471 1.00 1.44 C ATOM 1450 CD2 LEU A 94 8.885 4.363 -0.075 1.00 1.87 C ATOM 0 H LEU A 94 7.671 7.582 3.980 1.00 0.68 H new ATOM 0 HA LEU A 94 6.082 7.072 1.564 1.00 0.64 H new ATOM 0 HB2 LEU A 94 8.444 6.889 0.866 1.00 0.72 H new ATOM 0 HB3 LEU A 94 8.760 5.783 2.189 1.00 0.72 H new ATOM 0 HG LEU A 94 7.183 4.149 1.196 1.00 1.00 H new ATOM 0 HD11 LEU A 94 6.380 4.490 -1.101 1.00 1.44 H new ATOM 0 HD12 LEU A 94 5.719 5.706 0.017 1.00 1.44 H new ATOM 0 HD13 LEU A 94 7.046 6.140 -1.086 1.00 1.44 H new ATOM 0 HD21 LEU A 94 8.613 3.523 -0.714 1.00 1.87 H new ATOM 0 HD22 LEU A 94 9.361 5.137 -0.677 1.00 1.87 H new ATOM 0 HD23 LEU A 94 9.578 4.024 0.695 1.00 1.87 H new ATOM 1462 N ASP A 95 5.308 4.863 2.592 1.00 0.52 N ATOM 1463 CA ASP A 95 4.614 3.828 3.345 1.00 0.53 C ATOM 1464 C ASP A 95 4.015 2.794 2.406 1.00 0.46 C ATOM 1465 O ASP A 95 2.868 2.926 1.974 1.00 0.59 O ATOM 1466 CB ASP A 95 3.513 4.456 4.207 1.00 0.73 C ATOM 1467 CG ASP A 95 2.776 3.437 5.058 1.00 1.16 C ATOM 1468 OD1 ASP A 95 2.171 2.506 4.484 1.00 1.64 O ATOM 1469 OD2 ASP A 95 2.798 3.574 6.297 1.00 1.72 O ATOM 0 H ASP A 95 5.058 4.906 1.604 1.00 0.52 H new ATOM 0 HA ASP A 95 5.334 3.329 3.994 1.00 0.53 H new ATOM 0 HB2 ASP A 95 3.954 5.213 4.856 1.00 0.73 H new ATOM 0 HB3 ASP A 95 2.799 4.967 3.561 1.00 0.73 H new ATOM 1474 N LEU A 96 4.789 1.764 2.092 1.00 0.38 N ATOM 1475 CA LEU A 96 4.319 0.713 1.204 1.00 0.36 C ATOM 1476 C LEU A 96 4.459 -0.656 1.861 1.00 0.40 C ATOM 1477 O LEU A 96 5.548 -1.228 1.935 1.00 0.53 O ATOM 1478 CB LEU A 96 5.054 0.754 -0.145 1.00 0.43 C ATOM 1479 CG LEU A 96 6.557 0.457 -0.115 1.00 0.52 C ATOM 1480 CD1 LEU A 96 7.114 0.457 -1.528 1.00 0.97 C ATOM 1481 CD2 LEU A 96 7.295 1.474 0.743 1.00 0.89 C ATOM 0 H LEU A 96 5.740 1.635 2.438 1.00 0.38 H new ATOM 0 HA LEU A 96 3.261 0.889 1.010 1.00 0.36 H new ATOM 0 HB2 LEU A 96 4.578 0.037 -0.814 1.00 0.43 H new ATOM 0 HB3 LEU A 96 4.910 1.742 -0.582 1.00 0.43 H new ATOM 0 HG LEU A 96 6.705 -0.529 0.326 1.00 0.52 H new ATOM 0 HD11 LEU A 96 8.183 0.245 -1.498 1.00 0.97 H new ATOM 0 HD12 LEU A 96 6.609 -0.308 -2.118 1.00 0.97 H new ATOM 0 HD13 LEU A 96 6.950 1.434 -1.984 1.00 0.97 H new ATOM 0 HD21 LEU A 96 8.360 1.241 0.748 1.00 0.89 H new ATOM 0 HD22 LEU A 96 7.144 2.473 0.334 1.00 0.89 H new ATOM 0 HD23 LEU A 96 6.911 1.437 1.762 1.00 0.89 H new ATOM 1493 N ASP A 97 3.333 -1.172 2.336 1.00 0.38 N ATOM 1494 CA ASP A 97 3.292 -2.471 2.991 1.00 0.44 C ATOM 1495 C ASP A 97 2.311 -3.384 2.280 1.00 0.39 C ATOM 1496 O ASP A 97 1.209 -2.963 1.928 1.00 0.40 O ATOM 1497 CB ASP A 97 2.882 -2.317 4.455 1.00 0.55 C ATOM 1498 CG ASP A 97 3.950 -1.639 5.294 1.00 1.14 C ATOM 1499 OD1 ASP A 97 5.004 -1.274 4.729 1.00 1.45 O ATOM 1500 OD2 ASP A 97 3.733 -1.473 6.512 1.00 1.93 O ATOM 0 H ASP A 97 2.428 -0.705 2.278 1.00 0.38 H new ATOM 0 HA ASP A 97 4.288 -2.911 2.947 1.00 0.44 H new ATOM 0 HB2 ASP A 97 1.960 -1.738 4.511 1.00 0.55 H new ATOM 0 HB3 ASP A 97 2.667 -3.300 4.873 1.00 0.55 H new ATOM 1505 N ILE A 98 2.711 -4.633 2.064 1.00 0.39 N ATOM 1506 CA ILE A 98 1.845 -5.587 1.392 1.00 0.36 C ATOM 1507 C ILE A 98 0.451 -5.569 1.999 1.00 0.35 C ATOM 1508 O ILE A 98 0.240 -5.962 3.148 1.00 0.53 O ATOM 1509 CB ILE A 98 2.436 -7.015 1.398 1.00 0.36 C ATOM 1510 CG1 ILE A 98 3.314 -7.208 0.163 1.00 0.48 C ATOM 1511 CG2 ILE A 98 1.339 -8.075 1.442 1.00 0.44 C ATOM 1512 CD1 ILE A 98 2.580 -6.996 -1.145 1.00 1.20 C ATOM 0 H ILE A 98 3.620 -5.003 2.342 1.00 0.39 H new ATOM 0 HA ILE A 98 1.771 -5.279 0.349 1.00 0.36 H new ATOM 0 HB ILE A 98 3.040 -7.133 2.297 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.155 -6.516 0.214 1.00 0.48 H new ATOM 0 HG13 ILE A 98 3.729 -8.216 0.177 1.00 0.48 H new ATOM 0 HG21 ILE A 98 1.791 -9.067 1.445 1.00 0.44 H new ATOM 0 HG22 ILE A 98 0.743 -7.945 2.346 1.00 0.44 H new ATOM 0 HG23 ILE A 98 0.698 -7.971 0.567 1.00 0.44 H new ATOM 0 HD11 ILE A 98 3.267 -7.150 -1.977 1.00 1.20 H new ATOM 0 HD12 ILE A 98 1.756 -7.706 -1.219 1.00 1.20 H new ATOM 0 HD13 ILE A 98 2.188 -5.980 -1.182 1.00 1.20 H new ATOM 1524 N MET A 99 -0.487 -5.084 1.205 1.00 0.32 N ATOM 1525 CA MET A 99 -1.878 -4.973 1.618 1.00 0.36 C ATOM 1526 C MET A 99 -2.655 -6.203 1.171 1.00 0.33 C ATOM 1527 O MET A 99 -3.643 -6.598 1.790 1.00 0.37 O ATOM 1528 CB MET A 99 -2.494 -3.715 1.005 1.00 0.43 C ATOM 1529 CG MET A 99 -3.857 -3.364 1.562 1.00 0.68 C ATOM 1530 SD MET A 99 -4.815 -2.315 0.452 1.00 1.56 S ATOM 1531 CE MET A 99 -3.661 -0.979 0.157 1.00 2.37 C ATOM 0 H MET A 99 -0.308 -4.756 0.256 1.00 0.32 H new ATOM 0 HA MET A 99 -1.925 -4.905 2.705 1.00 0.36 H new ATOM 0 HB2 MET A 99 -1.819 -2.875 1.168 1.00 0.43 H new ATOM 0 HB3 MET A 99 -2.577 -3.852 -0.073 1.00 0.43 H new ATOM 0 HG2 MET A 99 -4.412 -4.281 1.757 1.00 0.68 H new ATOM 0 HG3 MET A 99 -3.734 -2.856 2.519 1.00 0.68 H new ATOM 0 HE1 MET A 99 -4.210 -0.078 -0.115 1.00 2.37 H new ATOM 0 HE2 MET A 99 -3.082 -0.792 1.061 1.00 2.37 H new ATOM 0 HE3 MET A 99 -2.987 -1.253 -0.655 1.00 2.37 H new ATOM 1541 N LEU A 100 -2.185 -6.803 0.084 1.00 0.30 N ATOM 1542 CA LEU A 100 -2.802 -7.990 -0.482 1.00 0.30 C ATOM 1543 C LEU A 100 -1.828 -8.662 -1.442 1.00 0.31 C ATOM 1544 O LEU A 100 -1.183 -7.992 -2.247 1.00 0.58 O ATOM 1545 CB LEU A 100 -4.100 -7.621 -1.203 1.00 0.30 C ATOM 1546 CG LEU A 100 -5.353 -8.266 -0.625 1.00 0.37 C ATOM 1547 CD1 LEU A 100 -6.593 -7.792 -1.364 1.00 0.40 C ATOM 1548 CD2 LEU A 100 -5.242 -9.783 -0.679 1.00 0.43 C ATOM 0 H LEU A 100 -1.365 -6.478 -0.428 1.00 0.30 H new ATOM 0 HA LEU A 100 -3.045 -8.686 0.321 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -4.220 -6.538 -1.176 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -4.011 -7.906 -2.251 1.00 0.30 H new ATOM 0 HG LEU A 100 -5.445 -7.964 0.418 1.00 0.37 H new ATOM 0 HD11 LEU A 100 -7.476 -8.265 -0.934 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -6.680 -6.709 -1.271 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -6.514 -8.061 -2.417 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -6.145 -10.229 -0.262 1.00 0.43 H new ATOM 0 HD22 LEU A 100 -5.124 -10.103 -1.714 1.00 0.43 H new ATOM 0 HD23 LEU A 100 -4.377 -10.105 -0.099 1.00 0.43 H new ATOM 1560 N PHE A 101 -1.708 -9.981 -1.347 1.00 0.36 N ATOM 1561 CA PHE A 101 -0.790 -10.709 -2.212 1.00 0.36 C ATOM 1562 C PHE A 101 -1.347 -12.073 -2.595 1.00 0.38 C ATOM 1563 O PHE A 101 -1.353 -13.003 -1.788 1.00 0.88 O ATOM 1564 CB PHE A 101 0.569 -10.872 -1.528 1.00 0.46 C ATOM 1565 CG PHE A 101 1.668 -11.238 -2.481 1.00 0.70 C ATOM 1566 CD1 PHE A 101 2.231 -10.281 -3.308 1.00 1.13 C ATOM 1567 CD2 PHE A 101 2.137 -12.539 -2.550 1.00 1.10 C ATOM 1568 CE1 PHE A 101 3.241 -10.613 -4.191 1.00 1.59 C ATOM 1569 CE2 PHE A 101 3.144 -12.879 -3.432 1.00 1.59 C ATOM 1570 CZ PHE A 101 3.697 -11.917 -4.254 1.00 1.75 C ATOM 0 H PHE A 101 -2.228 -10.561 -0.689 1.00 0.36 H new ATOM 0 HA PHE A 101 -0.665 -10.127 -3.125 1.00 0.36 H new ATOM 0 HB2 PHE A 101 0.829 -9.941 -1.023 1.00 0.46 H new ATOM 0 HB3 PHE A 101 0.492 -11.641 -0.759 1.00 0.46 H new ATOM 0 HD1 PHE A 101 1.876 -9.262 -3.263 1.00 1.13 H new ATOM 0 HD2 PHE A 101 1.711 -13.296 -1.908 1.00 1.10 H new ATOM 0 HE1 PHE A 101 3.673 -9.857 -4.830 1.00 1.59 H new ATOM 0 HE2 PHE A 101 3.499 -13.898 -3.479 1.00 1.59 H new ATOM 0 HZ PHE A 101 4.484 -12.182 -4.945 1.00 1.75 H new ATOM 1580 N GLY A 102 -1.800 -12.180 -3.841 1.00 0.58 N ATOM 1581 CA GLY A 102 -2.344 -13.429 -4.348 1.00 0.60 C ATOM 1582 C GLY A 102 -3.308 -14.103 -3.389 1.00 0.73 C ATOM 1583 O GLY A 102 -4.426 -13.631 -3.184 1.00 1.49 O ATOM 0 H GLY A 102 -1.800 -11.415 -4.516 1.00 0.58 H new ATOM 0 HA2 GLY A 102 -2.857 -13.237 -5.291 1.00 0.60 H new ATOM 0 HA3 GLY A 102 -1.523 -14.112 -4.565 1.00 0.60 H new ATOM 1587 N ASN A 103 -2.873 -15.222 -2.817 1.00 0.56 N ATOM 1588 CA ASN A 103 -3.702 -15.985 -1.888 1.00 0.58 C ATOM 1589 C ASN A 103 -2.890 -16.478 -0.695 1.00 0.52 C ATOM 1590 O ASN A 103 -3.454 -16.981 0.277 1.00 0.67 O ATOM 1591 CB ASN A 103 -4.294 -17.200 -2.599 1.00 0.76 C ATOM 1592 CG ASN A 103 -3.210 -18.140 -3.082 1.00 0.85 C ATOM 1593 OD1 ASN A 103 -2.510 -17.856 -4.056 1.00 1.55 O ATOM 1594 ND2 ASN A 103 -3.039 -19.255 -2.382 1.00 0.90 N ATOM 0 H ASN A 103 -1.949 -15.622 -2.981 1.00 0.56 H new ATOM 0 HA ASN A 103 -4.492 -15.323 -1.534 1.00 0.58 H new ATOM 0 HB2 ASN A 103 -4.962 -17.731 -1.921 1.00 0.76 H new ATOM 0 HB3 ASN A 103 -4.896 -16.870 -3.446 1.00 0.76 H new ATOM 0 HD21 ASN A 103 -2.306 -19.914 -2.644 1.00 0.90 H new ATOM 0 HD22 ASN A 103 -3.640 -19.452 -1.582 1.00 0.90 H new ATOM 1601 N GLU A 104 -1.570 -16.352 -0.775 1.00 0.43 N ATOM 1602 CA GLU A 104 -0.709 -16.809 0.297 1.00 0.42 C ATOM 1603 C GLU A 104 -1.040 -16.127 1.613 1.00 0.42 C ATOM 1604 O GLU A 104 -1.575 -15.019 1.639 1.00 0.58 O ATOM 1605 CB GLU A 104 0.757 -16.592 -0.051 1.00 0.51 C ATOM 1606 CG GLU A 104 1.031 -15.358 -0.893 1.00 0.56 C ATOM 1607 CD GLU A 104 0.807 -15.601 -2.374 1.00 1.57 C ATOM 1608 OE1 GLU A 104 1.471 -16.496 -2.937 1.00 2.29 O ATOM 1609 OE2 GLU A 104 -0.032 -14.895 -2.970 1.00 2.14 O ATOM 0 H GLU A 104 -1.080 -15.939 -1.568 1.00 0.43 H new ATOM 0 HA GLU A 104 -0.887 -17.878 0.417 1.00 0.42 H new ATOM 0 HB2 GLU A 104 1.329 -16.519 0.874 1.00 0.51 H new ATOM 0 HB3 GLU A 104 1.124 -17.469 -0.585 1.00 0.51 H new ATOM 0 HG2 GLU A 104 0.386 -14.545 -0.560 1.00 0.56 H new ATOM 0 HG3 GLU A 104 2.060 -15.035 -0.733 1.00 0.56 H new ATOM 1616 N VAL A 105 -0.720 -16.809 2.705 1.00 0.50 N ATOM 1617 CA VAL A 105 -0.982 -16.295 4.038 1.00 0.56 C ATOM 1618 C VAL A 105 0.124 -16.707 5.005 1.00 0.61 C ATOM 1619 O VAL A 105 0.015 -17.715 5.704 1.00 0.72 O ATOM 1620 CB VAL A 105 -2.341 -16.800 4.558 1.00 0.66 C ATOM 1621 CG1 VAL A 105 -2.544 -16.421 6.020 1.00 0.80 C ATOM 1622 CG2 VAL A 105 -3.474 -16.251 3.706 1.00 0.67 C ATOM 0 H VAL A 105 -0.275 -17.727 2.690 1.00 0.50 H new ATOM 0 HA VAL A 105 -1.008 -15.207 3.977 1.00 0.56 H new ATOM 0 HB VAL A 105 -2.345 -17.888 4.487 1.00 0.66 H new ATOM 0 HG11 VAL A 105 -3.511 -16.790 6.361 1.00 0.80 H new ATOM 0 HG12 VAL A 105 -1.753 -16.865 6.624 1.00 0.80 H new ATOM 0 HG13 VAL A 105 -2.513 -15.336 6.122 1.00 0.80 H new ATOM 0 HG21 VAL A 105 -4.427 -16.618 4.088 1.00 0.67 H new ATOM 0 HG22 VAL A 105 -3.463 -15.162 3.744 1.00 0.67 H new ATOM 0 HG23 VAL A 105 -3.346 -16.579 2.675 1.00 0.67 H new ATOM 1632 N ILE A 106 1.189 -15.916 5.036 1.00 0.58 N ATOM 1633 CA ILE A 106 2.319 -16.177 5.904 1.00 0.64 C ATOM 1634 C ILE A 106 3.055 -14.886 6.235 1.00 0.61 C ATOM 1635 O ILE A 106 3.077 -13.957 5.434 1.00 0.57 O ATOM 1636 CB ILE A 106 3.304 -17.176 5.267 1.00 0.74 C ATOM 1637 CG1 ILE A 106 3.283 -17.075 3.737 1.00 0.76 C ATOM 1638 CG2 ILE A 106 2.989 -18.594 5.714 1.00 1.31 C ATOM 1639 CD1 ILE A 106 3.783 -15.749 3.200 1.00 1.45 C ATOM 0 H ILE A 106 1.289 -15.080 4.461 1.00 0.58 H new ATOM 0 HA ILE A 106 1.924 -16.615 6.821 1.00 0.64 H new ATOM 0 HB ILE A 106 4.308 -16.921 5.606 1.00 0.74 H new ATOM 0 HG12 ILE A 106 3.893 -17.877 3.322 1.00 0.76 H new ATOM 0 HG13 ILE A 106 2.264 -17.236 3.386 1.00 0.76 H new ATOM 0 HG21 ILE A 106 3.695 -19.286 5.254 1.00 1.31 H new ATOM 0 HG22 ILE A 106 3.071 -18.660 6.799 1.00 1.31 H new ATOM 0 HG23 ILE A 106 1.975 -18.855 5.410 1.00 1.31 H new ATOM 0 HD11 ILE A 106 3.737 -15.757 2.111 1.00 1.45 H new ATOM 0 HD12 ILE A 106 3.159 -14.942 3.584 1.00 1.45 H new ATOM 0 HD13 ILE A 106 4.814 -15.593 3.518 1.00 1.45 H new ATOM 1651 N ASN A 107 3.655 -14.837 7.419 1.00 0.84 N ATOM 1652 CA ASN A 107 4.398 -13.661 7.863 1.00 0.90 C ATOM 1653 C ASN A 107 5.830 -14.048 8.214 1.00 0.91 C ATOM 1654 O ASN A 107 6.062 -14.779 9.178 1.00 1.02 O ATOM 1655 CB ASN A 107 3.730 -13.030 9.093 1.00 1.09 C ATOM 1656 CG ASN A 107 2.312 -12.533 8.842 1.00 1.00 C ATOM 1657 OD1 ASN A 107 1.855 -12.581 7.596 1.00 1.28 O flip ATOM 1658 ND2 ASN A 107 1.633 -12.095 9.772 1.00 1.21 N flip ATOM 0 H ASN A 107 3.642 -15.602 8.093 1.00 0.84 H new ATOM 0 HA ASN A 107 4.403 -12.936 7.049 1.00 0.90 H new ATOM 0 HB2 ASN A 107 3.709 -13.764 9.899 1.00 1.09 H new ATOM 0 HB3 ASN A 107 4.341 -12.195 9.437 1.00 1.09 H new ATOM 0 HD21 ASN A 107 2.016 -12.073 10.717 1.00 1.21 H new ATOM 0 HD22 ASN A 107 0.688 -11.754 9.597 1.00 1.21 H new ATOM 1665 N THR A 108 6.794 -13.561 7.435 1.00 0.86 N ATOM 1666 CA THR A 108 8.195 -13.880 7.699 1.00 0.89 C ATOM 1667 C THR A 108 8.819 -12.850 8.639 1.00 0.91 C ATOM 1668 O THR A 108 8.244 -12.527 9.679 1.00 1.16 O ATOM 1669 CB THR A 108 8.984 -13.973 6.391 1.00 0.90 C ATOM 1670 OG1 THR A 108 8.979 -12.733 5.706 1.00 1.07 O ATOM 1671 CG2 THR A 108 8.449 -15.025 5.446 1.00 0.92 C ATOM 0 H THR A 108 6.635 -12.955 6.630 1.00 0.86 H new ATOM 0 HA THR A 108 8.236 -14.852 8.190 1.00 0.89 H new ATOM 0 HB THR A 108 9.996 -14.252 6.685 1.00 0.90 H new ATOM 0 HG1 THR A 108 9.723 -12.709 5.068 1.00 1.07 H new ATOM 0 HG21 THR A 108 9.052 -15.040 4.538 1.00 0.92 H new ATOM 0 HG22 THR A 108 8.493 -16.002 5.927 1.00 0.92 H new ATOM 0 HG23 THR A 108 7.415 -14.793 5.191 1.00 0.92 H new ATOM 1679 N GLU A 109 9.993 -12.333 8.278 1.00 0.83 N ATOM 1680 CA GLU A 109 10.673 -11.341 9.106 1.00 0.86 C ATOM 1681 C GLU A 109 9.832 -10.075 9.226 1.00 0.73 C ATOM 1682 O GLU A 109 9.172 -9.849 10.240 1.00 0.87 O ATOM 1683 CB GLU A 109 12.047 -11.006 8.521 1.00 0.95 C ATOM 1684 CG GLU A 109 12.994 -12.194 8.476 1.00 1.22 C ATOM 1685 CD GLU A 109 13.274 -12.768 9.851 1.00 1.93 C ATOM 1686 OE1 GLU A 109 13.804 -12.028 10.706 1.00 2.60 O ATOM 1687 OE2 GLU A 109 12.965 -13.957 10.073 1.00 2.37 O ATOM 0 H GLU A 109 10.489 -12.583 7.423 1.00 0.83 H new ATOM 0 HA GLU A 109 10.810 -11.764 10.101 1.00 0.86 H new ATOM 0 HB2 GLU A 109 11.918 -10.616 7.511 1.00 0.95 H new ATOM 0 HB3 GLU A 109 12.501 -10.212 9.113 1.00 0.95 H new ATOM 0 HG2 GLU A 109 12.567 -12.971 7.842 1.00 1.22 H new ATOM 0 HG3 GLU A 109 13.933 -11.888 8.016 1.00 1.22 H new ATOM 1694 N ARG A 110 9.850 -9.260 8.178 1.00 0.63 N ATOM 1695 CA ARG A 110 9.081 -8.023 8.155 1.00 0.64 C ATOM 1696 C ARG A 110 7.880 -8.172 7.237 1.00 0.66 C ATOM 1697 O ARG A 110 7.078 -7.250 7.085 1.00 0.77 O ATOM 1698 CB ARG A 110 9.951 -6.860 7.676 1.00 0.63 C ATOM 1699 CG ARG A 110 11.217 -6.659 8.498 1.00 0.86 C ATOM 1700 CD ARG A 110 10.902 -6.384 9.961 1.00 1.64 C ATOM 1701 NE ARG A 110 12.114 -6.254 10.769 1.00 2.22 N ATOM 1702 CZ ARG A 110 12.995 -7.236 10.945 1.00 2.77 C ATOM 1703 NH1 ARG A 110 12.792 -8.424 10.388 1.00 3.01 N ATOM 1704 NH2 ARG A 110 14.079 -7.035 11.681 1.00 3.68 N ATOM 0 H ARG A 110 10.391 -9.435 7.331 1.00 0.63 H new ATOM 0 HA ARG A 110 8.737 -7.813 9.168 1.00 0.64 H new ATOM 0 HB2 ARG A 110 10.228 -7.030 6.636 1.00 0.63 H new ATOM 0 HB3 ARG A 110 9.362 -5.943 7.703 1.00 0.63 H new ATOM 0 HG2 ARG A 110 11.845 -7.547 8.422 1.00 0.86 H new ATOM 0 HG3 ARG A 110 11.789 -5.828 8.087 1.00 0.86 H new ATOM 0 HD2 ARG A 110 10.315 -5.469 10.039 1.00 1.64 H new ATOM 0 HD3 ARG A 110 10.287 -7.192 10.357 1.00 1.64 H new ATOM 0 HE ARG A 110 12.295 -5.359 11.224 1.00 2.22 H new ATOM 0 HH11 ARG A 110 11.959 -8.587 9.823 1.00 3.01 H new ATOM 0 HH12 ARG A 110 13.469 -9.174 10.525 1.00 3.01 H new ATOM 0 HH21 ARG A 110 14.240 -6.126 12.114 1.00 3.68 H new ATOM 0 HH22 ARG A 110 14.752 -7.790 11.814 1.00 3.68 H new ATOM 1718 N LEU A 111 7.776 -9.337 6.611 1.00 0.62 N ATOM 1719 CA LEU A 111 6.691 -9.612 5.686 1.00 0.63 C ATOM 1720 C LEU A 111 5.378 -9.890 6.405 1.00 0.56 C ATOM 1721 O LEU A 111 5.313 -10.686 7.340 1.00 0.66 O ATOM 1722 CB LEU A 111 7.053 -10.796 4.775 1.00 0.73 C ATOM 1723 CG LEU A 111 5.968 -11.235 3.782 1.00 0.94 C ATOM 1724 CD1 LEU A 111 4.925 -12.105 4.459 1.00 1.15 C ATOM 1725 CD2 LEU A 111 5.310 -10.031 3.128 1.00 1.64 C ATOM 0 H LEU A 111 8.434 -10.108 6.729 1.00 0.62 H new ATOM 0 HA LEU A 111 6.550 -8.717 5.080 1.00 0.63 H new ATOM 0 HB2 LEU A 111 7.949 -10.535 4.212 1.00 0.73 H new ATOM 0 HB3 LEU A 111 7.309 -11.649 5.404 1.00 0.73 H new ATOM 0 HG LEU A 111 6.452 -11.827 3.005 1.00 0.94 H new ATOM 0 HD11 LEU A 111 4.170 -12.401 3.731 1.00 1.15 H new ATOM 0 HD12 LEU A 111 5.403 -12.995 4.867 1.00 1.15 H new ATOM 0 HD13 LEU A 111 4.452 -11.545 5.266 1.00 1.15 H new ATOM 0 HD21 LEU A 111 4.545 -10.369 2.429 1.00 1.64 H new ATOM 0 HD22 LEU A 111 4.851 -9.407 3.894 1.00 1.64 H new ATOM 0 HD23 LEU A 111 6.062 -9.452 2.591 1.00 1.64 H new ATOM 1737 N THR A 112 4.332 -9.241 5.916 1.00 0.46 N ATOM 1738 CA THR A 112 2.992 -9.406 6.441 1.00 0.42 C ATOM 1739 C THR A 112 2.003 -9.450 5.287 1.00 0.39 C ATOM 1740 O THR A 112 2.005 -8.569 4.428 1.00 0.43 O ATOM 1741 CB THR A 112 2.623 -8.261 7.386 1.00 0.45 C ATOM 1742 OG1 THR A 112 3.171 -7.037 6.932 1.00 0.65 O ATOM 1743 CG2 THR A 112 3.072 -8.475 8.814 1.00 0.68 C ATOM 0 H THR A 112 4.393 -8.582 5.140 1.00 0.46 H new ATOM 0 HA THR A 112 2.955 -10.338 7.004 1.00 0.42 H new ATOM 0 HB THR A 112 1.533 -8.231 7.379 1.00 0.45 H new ATOM 0 HG1 THR A 112 2.922 -6.318 7.549 1.00 0.65 H new ATOM 0 HG21 THR A 112 2.773 -7.620 9.421 1.00 0.68 H new ATOM 0 HG22 THR A 112 2.610 -9.380 9.209 1.00 0.68 H new ATOM 0 HG23 THR A 112 4.157 -8.579 8.843 1.00 0.68 H new ATOM 1751 N VAL A 113 1.151 -10.462 5.278 1.00 0.36 N ATOM 1752 CA VAL A 113 0.154 -10.585 4.234 1.00 0.38 C ATOM 1753 C VAL A 113 -1.040 -9.726 4.664 1.00 0.32 C ATOM 1754 O VAL A 113 -1.010 -9.217 5.782 1.00 0.30 O ATOM 1755 CB VAL A 113 -0.225 -12.079 4.025 1.00 0.45 C ATOM 1756 CG1 VAL A 113 -1.594 -12.409 4.600 1.00 1.52 C ATOM 1757 CG2 VAL A 113 -0.141 -12.456 2.554 1.00 1.18 C ATOM 0 H VAL A 113 1.131 -11.204 5.978 1.00 0.36 H new ATOM 0 HA VAL A 113 0.526 -10.235 3.271 1.00 0.38 H new ATOM 0 HB VAL A 113 0.501 -12.678 4.575 1.00 0.45 H new ATOM 0 HG11 VAL A 113 -1.815 -13.463 4.430 1.00 1.52 H new ATOM 0 HG12 VAL A 113 -1.598 -12.205 5.671 1.00 1.52 H new ATOM 0 HG13 VAL A 113 -2.351 -11.796 4.111 1.00 1.52 H new ATOM 0 HG21 VAL A 113 -0.410 -13.505 2.431 1.00 1.18 H new ATOM 0 HG22 VAL A 113 -0.829 -11.835 1.979 1.00 1.18 H new ATOM 0 HG23 VAL A 113 0.876 -12.298 2.195 1.00 1.18 H new ATOM 1767 N PRO A 114 -2.096 -9.523 3.828 1.00 0.35 N ATOM 1768 CA PRO A 114 -3.248 -8.706 4.185 1.00 0.36 C ATOM 1769 C PRO A 114 -3.354 -8.464 5.687 1.00 0.33 C ATOM 1770 O PRO A 114 -3.955 -9.248 6.423 1.00 0.35 O ATOM 1771 CB PRO A 114 -4.383 -9.566 3.643 1.00 0.43 C ATOM 1772 CG PRO A 114 -3.804 -10.213 2.409 1.00 0.46 C ATOM 1773 CD PRO A 114 -2.293 -10.056 2.479 1.00 0.42 C ATOM 0 HA PRO A 114 -3.223 -7.693 3.783 1.00 0.36 H new ATOM 0 HB2 PRO A 114 -4.700 -10.312 4.372 1.00 0.43 H new ATOM 0 HB3 PRO A 114 -5.259 -8.963 3.402 1.00 0.43 H new ATOM 0 HG2 PRO A 114 -4.079 -11.267 2.364 1.00 0.46 H new ATOM 0 HG3 PRO A 114 -4.197 -9.742 1.508 1.00 0.46 H new ATOM 0 HD2 PRO A 114 -1.779 -11.007 2.338 1.00 0.42 H new ATOM 0 HD3 PRO A 114 -1.919 -9.375 1.714 1.00 0.42 H new ATOM 1781 N HIS A 115 -2.723 -7.374 6.129 1.00 0.33 N ATOM 1782 CA HIS A 115 -2.682 -7.006 7.529 1.00 0.33 C ATOM 1783 C HIS A 115 -4.034 -6.528 8.012 1.00 0.34 C ATOM 1784 O HIS A 115 -4.468 -5.435 7.657 1.00 0.46 O ATOM 1785 CB HIS A 115 -1.635 -5.907 7.730 1.00 0.39 C ATOM 1786 CG HIS A 115 -1.529 -5.409 9.137 1.00 0.44 C ATOM 1787 ND1 HIS A 115 -1.370 -6.240 10.224 1.00 0.97 N ATOM 1788 CD2 HIS A 115 -1.549 -4.146 9.627 1.00 0.76 C ATOM 1789 CE1 HIS A 115 -1.297 -5.513 11.324 1.00 0.87 C ATOM 1790 NE2 HIS A 115 -1.405 -4.240 10.989 1.00 0.67 N ATOM 0 H HIS A 115 -2.227 -6.726 5.517 1.00 0.33 H new ATOM 0 HA HIS A 115 -2.413 -7.887 8.112 1.00 0.33 H new ATOM 0 HB2 HIS A 115 -0.662 -6.286 7.417 1.00 0.39 H new ATOM 0 HB3 HIS A 115 -1.876 -5.068 7.077 1.00 0.39 H new ATOM 0 HD2 HIS A 115 -1.658 -3.237 9.054 1.00 0.76 H new ATOM 0 HE1 HIS A 115 -1.171 -5.894 12.327 1.00 0.87 H new ATOM 0 HE2 HIS A 115 -1.385 -3.453 11.638 1.00 0.67 H new ATOM 1799 N TYR A 116 -4.683 -7.345 8.835 1.00 0.34 N ATOM 1800 CA TYR A 116 -5.986 -6.991 9.388 1.00 0.42 C ATOM 1801 C TYR A 116 -5.954 -5.562 9.913 1.00 0.43 C ATOM 1802 O TYR A 116 -5.594 -5.315 11.063 1.00 0.49 O ATOM 1803 CB TYR A 116 -6.389 -7.969 10.498 1.00 0.52 C ATOM 1804 CG TYR A 116 -5.229 -8.551 11.293 1.00 0.70 C ATOM 1805 CD1 TYR A 116 -4.155 -7.746 11.655 1.00 1.13 C ATOM 1806 CD2 TYR A 116 -5.198 -9.890 11.676 1.00 0.89 C ATOM 1807 CE1 TYR A 116 -3.088 -8.255 12.373 1.00 1.64 C ATOM 1808 CE2 TYR A 116 -4.135 -10.403 12.395 1.00 1.31 C ATOM 1809 CZ TYR A 116 -3.127 -9.646 12.755 1.00 1.68 C ATOM 1810 OH TYR A 116 -2.022 -10.091 13.452 1.00 2.22 O ATOM 0 H TYR A 116 -4.330 -8.254 9.133 1.00 0.34 H new ATOM 0 HA TYR A 116 -6.733 -7.058 8.597 1.00 0.42 H new ATOM 0 HB2 TYR A 116 -7.061 -7.457 11.186 1.00 0.52 H new ATOM 0 HB3 TYR A 116 -6.953 -8.789 10.053 1.00 0.52 H new ATOM 0 HD1 TYR A 116 -4.154 -6.704 11.370 1.00 1.13 H new ATOM 0 HD2 TYR A 116 -6.019 -10.538 11.406 1.00 0.89 H new ATOM 0 HE1 TYR A 116 -2.249 -7.629 12.640 1.00 1.64 H new ATOM 0 HE2 TYR A 116 -4.135 -11.449 12.666 1.00 1.31 H new ATOM 0 HH TYR A 116 -2.133 -11.040 13.670 1.00 2.22 H new ATOM 1820 N ASP A 117 -6.303 -4.618 9.041 1.00 0.42 N ATOM 1821 CA ASP A 117 -6.277 -3.210 9.395 1.00 0.50 C ATOM 1822 C ASP A 117 -6.845 -2.372 8.261 1.00 0.52 C ATOM 1823 O ASP A 117 -7.620 -1.441 8.475 1.00 0.73 O ATOM 1824 CB ASP A 117 -4.829 -2.790 9.649 1.00 0.52 C ATOM 1825 CG ASP A 117 -4.726 -1.487 10.419 1.00 0.67 C ATOM 1826 OD1 ASP A 117 -5.232 -1.430 11.558 1.00 1.07 O ATOM 1827 OD2 ASP A 117 -4.140 -0.524 9.880 1.00 0.87 O ATOM 0 H ASP A 117 -6.606 -4.808 8.086 1.00 0.42 H new ATOM 0 HA ASP A 117 -6.880 -3.054 10.289 1.00 0.50 H new ATOM 0 HB2 ASP A 117 -4.318 -3.577 10.204 1.00 0.52 H new ATOM 0 HB3 ASP A 117 -4.312 -2.686 8.695 1.00 0.52 H new ATOM 1832 N MET A 118 -6.425 -2.715 7.051 1.00 0.38 N ATOM 1833 CA MET A 118 -6.843 -2.016 5.844 1.00 0.39 C ATOM 1834 C MET A 118 -8.353 -2.089 5.639 1.00 0.38 C ATOM 1835 O MET A 118 -8.991 -1.105 5.262 1.00 0.45 O ATOM 1836 CB MET A 118 -6.142 -2.625 4.632 1.00 0.44 C ATOM 1837 CG MET A 118 -6.652 -4.005 4.248 1.00 0.48 C ATOM 1838 SD MET A 118 -6.220 -5.280 5.444 1.00 1.29 S ATOM 1839 CE MET A 118 -6.885 -6.735 4.640 1.00 2.05 C ATOM 0 H MET A 118 -5.783 -3.488 6.879 1.00 0.38 H new ATOM 0 HA MET A 118 -6.567 -0.967 5.956 1.00 0.39 H new ATOM 0 HB2 MET A 118 -6.263 -1.955 3.781 1.00 0.44 H new ATOM 0 HB3 MET A 118 -5.073 -2.689 4.838 1.00 0.44 H new ATOM 0 HG2 MET A 118 -7.736 -3.968 4.142 1.00 0.48 H new ATOM 0 HG3 MET A 118 -6.246 -4.277 3.274 1.00 0.48 H new ATOM 0 HE1 MET A 118 -6.728 -7.606 5.276 1.00 2.05 H new ATOM 0 HE2 MET A 118 -7.953 -6.600 4.468 1.00 2.05 H new ATOM 0 HE3 MET A 118 -6.380 -6.886 3.686 1.00 2.05 H new ATOM 1849 N LYS A 119 -8.907 -3.266 5.879 1.00 0.40 N ATOM 1850 CA LYS A 119 -10.336 -3.504 5.717 1.00 0.47 C ATOM 1851 C LYS A 119 -11.139 -2.663 6.697 1.00 0.50 C ATOM 1852 O LYS A 119 -12.366 -2.629 6.644 1.00 0.80 O ATOM 1853 CB LYS A 119 -10.632 -4.989 5.917 1.00 0.57 C ATOM 1854 CG LYS A 119 -9.929 -5.568 7.133 1.00 0.69 C ATOM 1855 CD LYS A 119 -10.258 -7.042 7.338 1.00 0.80 C ATOM 1856 CE LYS A 119 -9.711 -7.909 6.211 1.00 1.02 C ATOM 1857 NZ LYS A 119 -10.001 -9.352 6.435 1.00 1.93 N ATOM 0 H LYS A 119 -8.382 -4.083 6.191 1.00 0.40 H new ATOM 0 HA LYS A 119 -10.630 -3.213 4.709 1.00 0.47 H new ATOM 0 HB2 LYS A 119 -11.708 -5.130 6.023 1.00 0.57 H new ATOM 0 HB3 LYS A 119 -10.324 -5.540 5.028 1.00 0.57 H new ATOM 0 HG2 LYS A 119 -8.851 -5.450 7.018 1.00 0.69 H new ATOM 0 HG3 LYS A 119 -10.219 -5.006 8.021 1.00 0.69 H new ATOM 0 HD2 LYS A 119 -9.843 -7.378 8.288 1.00 0.80 H new ATOM 0 HD3 LYS A 119 -11.339 -7.167 7.400 1.00 0.80 H new ATOM 0 HE2 LYS A 119 -10.148 -7.593 5.264 1.00 1.02 H new ATOM 0 HE3 LYS A 119 -8.634 -7.763 6.130 1.00 1.02 H new ATOM 0 HZ1 LYS A 119 -9.218 -9.925 6.062 1.00 1.93 H new ATOM 0 HZ2 LYS A 119 -10.106 -9.531 7.454 1.00 1.93 H new ATOM 0 HZ3 LYS A 119 -10.882 -9.609 5.945 1.00 1.93 H new ATOM 1871 N ASN A 120 -10.431 -1.982 7.587 1.00 0.49 N ATOM 1872 CA ASN A 120 -11.056 -1.129 8.586 1.00 0.52 C ATOM 1873 C ASN A 120 -10.694 0.327 8.318 1.00 0.56 C ATOM 1874 O ASN A 120 -10.540 1.123 9.246 1.00 0.74 O ATOM 1875 CB ASN A 120 -10.578 -1.535 9.976 1.00 0.53 C ATOM 1876 CG ASN A 120 -10.714 -3.022 10.225 1.00 1.17 C ATOM 1877 OD1 ASN A 120 -11.797 -3.594 10.094 1.00 2.11 O ATOM 1878 ND2 ASN A 120 -9.607 -3.651 10.595 1.00 1.30 N ATOM 0 H ASN A 120 -9.412 -2.005 7.637 1.00 0.49 H new ATOM 0 HA ASN A 120 -12.139 -1.242 8.532 1.00 0.52 H new ATOM 0 HB2 ASN A 120 -9.535 -1.244 10.097 1.00 0.53 H new ATOM 0 HB3 ASN A 120 -11.150 -0.990 10.727 1.00 0.53 H new ATOM 0 HD21 ASN A 120 -9.629 -4.653 10.785 1.00 1.30 H new ATOM 0 HD22 ASN A 120 -8.733 -3.133 10.690 1.00 1.30 H new ATOM 1885 N ARG A 121 -10.541 0.659 7.039 1.00 0.49 N ATOM 1886 CA ARG A 121 -10.171 2.009 6.630 1.00 0.58 C ATOM 1887 C ARG A 121 -10.813 2.358 5.286 1.00 0.63 C ATOM 1888 O ARG A 121 -12.001 2.116 5.076 1.00 1.07 O ATOM 1889 CB ARG A 121 -8.643 2.118 6.528 1.00 0.64 C ATOM 1890 CG ARG A 121 -7.910 1.837 7.831 1.00 0.91 C ATOM 1891 CD ARG A 121 -8.153 2.934 8.856 1.00 1.24 C ATOM 1892 NE ARG A 121 -7.364 2.735 10.068 1.00 1.84 N ATOM 1893 CZ ARG A 121 -7.429 3.534 11.128 1.00 2.55 C ATOM 1894 NH1 ARG A 121 -8.264 4.564 11.135 1.00 2.86 N ATOM 1895 NH2 ARG A 121 -6.661 3.299 12.183 1.00 3.50 N ATOM 0 H ARG A 121 -10.669 0.007 6.265 1.00 0.49 H new ATOM 0 HA ARG A 121 -10.533 2.714 7.378 1.00 0.58 H new ATOM 0 HB2 ARG A 121 -8.290 1.421 5.768 1.00 0.64 H new ATOM 0 HB3 ARG A 121 -8.383 3.120 6.187 1.00 0.64 H new ATOM 0 HG2 ARG A 121 -8.240 0.880 8.236 1.00 0.91 H new ATOM 0 HG3 ARG A 121 -6.841 1.750 7.637 1.00 0.91 H new ATOM 0 HD2 ARG A 121 -7.906 3.901 8.418 1.00 1.24 H new ATOM 0 HD3 ARG A 121 -9.212 2.962 9.113 1.00 1.24 H new ATOM 0 HE ARG A 121 -6.728 1.939 10.103 1.00 1.84 H new ATOM 0 HH11 ARG A 121 -8.858 4.744 10.326 1.00 2.86 H new ATOM 0 HH12 ARG A 121 -8.312 5.176 11.950 1.00 2.86 H new ATOM 0 HH21 ARG A 121 -6.021 2.505 12.181 1.00 3.50 H new ATOM 0 HH22 ARG A 121 -6.711 3.912 12.997 1.00 3.50 H new ATOM 1909 N GLY A 122 -10.019 2.923 4.377 1.00 0.62 N ATOM 1910 CA GLY A 122 -10.523 3.293 3.069 1.00 0.61 C ATOM 1911 C GLY A 122 -9.419 3.625 2.089 1.00 0.56 C ATOM 1912 O GLY A 122 -9.601 3.489 0.883 1.00 0.70 O ATOM 0 H GLY A 122 -9.032 3.131 4.527 1.00 0.62 H new ATOM 0 HA2 GLY A 122 -11.123 2.475 2.671 1.00 0.61 H new ATOM 0 HA3 GLY A 122 -11.185 4.153 3.169 1.00 0.61 H new ATOM 1916 N PHE A 123 -8.261 4.042 2.594 1.00 0.52 N ATOM 1917 CA PHE A 123 -7.142 4.370 1.721 1.00 0.58 C ATOM 1918 C PHE A 123 -6.504 3.090 1.217 1.00 0.42 C ATOM 1919 O PHE A 123 -5.769 3.082 0.233 1.00 0.43 O ATOM 1920 CB PHE A 123 -6.123 5.271 2.432 1.00 0.84 C ATOM 1921 CG PHE A 123 -5.877 4.922 3.874 1.00 1.19 C ATOM 1922 CD1 PHE A 123 -5.352 3.693 4.229 1.00 1.62 C ATOM 1923 CD2 PHE A 123 -6.175 5.833 4.877 1.00 2.11 C ATOM 1924 CE1 PHE A 123 -5.128 3.374 5.556 1.00 2.59 C ATOM 1925 CE2 PHE A 123 -5.956 5.521 6.204 1.00 3.16 C ATOM 1926 CZ PHE A 123 -5.431 4.290 6.545 1.00 3.31 C ATOM 0 H PHE A 123 -8.076 4.159 3.590 1.00 0.52 H new ATOM 0 HA PHE A 123 -7.513 4.935 0.866 1.00 0.58 H new ATOM 0 HB2 PHE A 123 -5.177 5.222 1.894 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -6.469 6.303 2.376 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -5.114 2.973 3.460 1.00 1.62 H new ATOM 0 HD2 PHE A 123 -6.583 6.798 4.617 1.00 2.11 H new ATOM 0 HE1 PHE A 123 -4.717 2.410 5.819 1.00 2.59 H new ATOM 0 HE2 PHE A 123 -6.195 6.239 6.975 1.00 3.16 H new ATOM 0 HZ PHE A 123 -5.258 4.044 7.582 1.00 3.31 H new ATOM 1936 N MET A 124 -6.822 2.001 1.898 1.00 0.37 N ATOM 1937 CA MET A 124 -6.330 0.691 1.525 1.00 0.38 C ATOM 1938 C MET A 124 -7.311 0.002 0.574 1.00 0.38 C ATOM 1939 O MET A 124 -6.926 -0.527 -0.467 1.00 0.57 O ATOM 1940 CB MET A 124 -6.128 -0.165 2.771 1.00 0.50 C ATOM 1941 CG MET A 124 -5.148 0.418 3.775 1.00 0.90 C ATOM 1942 SD MET A 124 -3.477 0.566 3.120 1.00 1.99 S ATOM 1943 CE MET A 124 -2.610 1.227 4.541 1.00 2.44 C ATOM 0 H MET A 124 -7.426 2.003 2.720 1.00 0.37 H new ATOM 0 HA MET A 124 -5.374 0.811 1.015 1.00 0.38 H new ATOM 0 HB2 MET A 124 -7.091 -0.307 3.261 1.00 0.50 H new ATOM 0 HB3 MET A 124 -5.776 -1.151 2.468 1.00 0.50 H new ATOM 0 HG2 MET A 124 -5.498 1.402 4.088 1.00 0.90 H new ATOM 0 HG3 MET A 124 -5.130 -0.212 4.665 1.00 0.90 H new ATOM 0 HE1 MET A 124 -1.577 0.880 4.531 1.00 2.44 H new ATOM 0 HE2 MET A 124 -2.627 2.316 4.504 1.00 2.44 H new ATOM 0 HE3 MET A 124 -3.097 0.888 5.455 1.00 2.44 H new ATOM 1953 N LEU A 125 -8.582 -0.004 0.975 1.00 0.37 N ATOM 1954 CA LEU A 125 -9.654 -0.649 0.210 1.00 0.41 C ATOM 1955 C LEU A 125 -10.029 0.112 -1.060 1.00 0.34 C ATOM 1956 O LEU A 125 -9.956 -0.428 -2.165 1.00 0.40 O ATOM 1957 CB LEU A 125 -10.906 -0.776 1.084 1.00 0.53 C ATOM 1958 CG LEU A 125 -10.740 -1.584 2.369 1.00 0.61 C ATOM 1959 CD1 LEU A 125 -12.066 -1.684 3.109 1.00 0.85 C ATOM 1960 CD2 LEU A 125 -10.189 -2.971 2.067 1.00 0.76 C ATOM 0 H LEU A 125 -8.899 0.437 1.838 1.00 0.37 H new ATOM 0 HA LEU A 125 -9.275 -1.627 -0.088 1.00 0.41 H new ATOM 0 HB2 LEU A 125 -11.245 0.226 1.348 1.00 0.53 H new ATOM 0 HB3 LEU A 125 -11.697 -1.233 0.489 1.00 0.53 H new ATOM 0 HG LEU A 125 -10.025 -1.067 3.009 1.00 0.61 H new ATOM 0 HD11 LEU A 125 -11.930 -2.263 4.022 1.00 0.85 H new ATOM 0 HD12 LEU A 125 -12.418 -0.684 3.362 1.00 0.85 H new ATOM 0 HD13 LEU A 125 -12.801 -2.177 2.473 1.00 0.85 H new ATOM 0 HD21 LEU A 125 -10.079 -3.529 2.997 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -10.876 -3.499 1.406 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -9.217 -2.879 1.582 1.00 0.76 H new ATOM 1972 N TRP A 126 -10.477 1.349 -0.882 1.00 0.31 N ATOM 1973 CA TRP A 126 -10.930 2.187 -1.992 1.00 0.32 C ATOM 1974 C TRP A 126 -9.961 2.163 -3.190 1.00 0.29 C ATOM 1975 O TRP A 126 -10.368 1.802 -4.295 1.00 0.31 O ATOM 1976 CB TRP A 126 -11.158 3.615 -1.486 1.00 0.38 C ATOM 1977 CG TRP A 126 -11.513 4.609 -2.546 1.00 0.46 C ATOM 1978 CD1 TRP A 126 -11.056 5.887 -2.626 1.00 0.46 C ATOM 1979 CD2 TRP A 126 -12.397 4.426 -3.661 1.00 0.93 C ATOM 1980 NE1 TRP A 126 -11.590 6.515 -3.724 1.00 0.54 N ATOM 1981 CE2 TRP A 126 -12.418 5.639 -4.376 1.00 0.94 C ATOM 1982 CE3 TRP A 126 -13.170 3.357 -4.128 1.00 1.45 C ATOM 1983 CZ2 TRP A 126 -13.180 5.812 -5.529 1.00 1.42 C ATOM 1984 CZ3 TRP A 126 -13.926 3.532 -5.272 1.00 1.96 C ATOM 1985 CH2 TRP A 126 -13.925 4.750 -5.962 1.00 1.93 C ATOM 0 H TRP A 126 -10.537 1.800 0.031 1.00 0.31 H new ATOM 0 HA TRP A 126 -11.870 1.778 -2.363 1.00 0.32 H new ATOM 0 HB2 TRP A 126 -11.955 3.599 -0.742 1.00 0.38 H new ATOM 0 HB3 TRP A 126 -10.255 3.954 -0.978 1.00 0.38 H new ATOM 0 HD1 TRP A 126 -10.371 6.343 -1.926 1.00 0.46 H new ATOM 0 HE1 TRP A 126 -11.401 7.476 -4.008 1.00 0.54 H new ATOM 0 HE3 TRP A 126 -13.176 2.413 -3.604 1.00 1.45 H new ATOM 0 HZ2 TRP A 126 -13.182 6.751 -6.062 1.00 1.42 H new ATOM 0 HZ3 TRP A 126 -14.528 2.714 -5.640 1.00 1.96 H new ATOM 0 HH2 TRP A 126 -14.525 4.853 -6.854 1.00 1.93 H new ATOM 1996 N PRO A 127 -8.677 2.548 -3.015 1.00 0.28 N ATOM 1997 CA PRO A 127 -7.701 2.559 -4.120 1.00 0.29 C ATOM 1998 C PRO A 127 -7.426 1.168 -4.701 1.00 0.28 C ATOM 1999 O PRO A 127 -7.370 1.002 -5.917 1.00 0.31 O ATOM 2000 CB PRO A 127 -6.431 3.124 -3.474 1.00 0.30 C ATOM 2001 CG PRO A 127 -6.916 3.839 -2.265 1.00 0.31 C ATOM 2002 CD PRO A 127 -8.068 3.020 -1.763 1.00 0.29 C ATOM 0 HA PRO A 127 -8.070 3.142 -4.964 1.00 0.29 H new ATOM 0 HB2 PRO A 127 -5.732 2.330 -3.212 1.00 0.30 H new ATOM 0 HB3 PRO A 127 -5.908 3.799 -4.151 1.00 0.30 H new ATOM 0 HG2 PRO A 127 -6.131 3.919 -1.513 1.00 0.31 H new ATOM 0 HG3 PRO A 127 -7.230 4.854 -2.507 1.00 0.31 H new ATOM 0 HD2 PRO A 127 -7.737 2.194 -1.133 1.00 0.29 H new ATOM 0 HD3 PRO A 127 -8.763 3.614 -1.170 1.00 0.29 H new ATOM 2010 N LEU A 128 -7.246 0.179 -3.826 1.00 0.25 N ATOM 2011 CA LEU A 128 -6.970 -1.192 -4.262 1.00 0.26 C ATOM 2012 C LEU A 128 -8.096 -1.713 -5.141 1.00 0.27 C ATOM 2013 O LEU A 128 -7.888 -2.559 -6.010 1.00 0.29 O ATOM 2014 CB LEU A 128 -6.823 -2.110 -3.053 1.00 0.26 C ATOM 2015 CG LEU A 128 -5.726 -3.159 -3.150 1.00 0.29 C ATOM 2016 CD1 LEU A 128 -4.369 -2.521 -2.898 1.00 0.30 C ATOM 2017 CD2 LEU A 128 -5.983 -4.286 -2.161 1.00 0.44 C ATOM 0 H LEU A 128 -7.286 0.300 -2.814 1.00 0.25 H new ATOM 0 HA LEU A 128 -6.042 -1.182 -4.833 1.00 0.26 H new ATOM 0 HB2 LEU A 128 -6.635 -1.494 -2.173 1.00 0.26 H new ATOM 0 HB3 LEU A 128 -7.773 -2.619 -2.889 1.00 0.26 H new ATOM 0 HG LEU A 128 -5.729 -3.580 -4.155 1.00 0.29 H new ATOM 0 HD11 LEU A 128 -3.591 -3.281 -2.970 1.00 0.30 H new ATOM 0 HD12 LEU A 128 -4.188 -1.745 -3.642 1.00 0.30 H new ATOM 0 HD13 LEU A 128 -4.354 -2.079 -1.902 1.00 0.30 H new ATOM 0 HD21 LEU A 128 -5.190 -5.029 -2.242 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -6.002 -3.884 -1.148 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -6.942 -4.754 -2.383 1.00 0.44 H new ATOM 2029 N PHE A 129 -9.289 -1.196 -4.895 1.00 0.28 N ATOM 2030 CA PHE A 129 -10.475 -1.591 -5.649 1.00 0.30 C ATOM 2031 C PHE A 129 -10.309 -1.236 -7.124 1.00 0.30 C ATOM 2032 O PHE A 129 -11.076 -1.675 -7.975 1.00 0.32 O ATOM 2033 CB PHE A 129 -11.711 -0.878 -5.089 1.00 0.36 C ATOM 2034 CG PHE A 129 -13.006 -1.318 -5.712 1.00 0.42 C ATOM 2035 CD1 PHE A 129 -13.522 -2.578 -5.454 1.00 0.47 C ATOM 2036 CD2 PHE A 129 -13.711 -0.468 -6.547 1.00 0.48 C ATOM 2037 CE1 PHE A 129 -14.715 -2.983 -6.022 1.00 0.55 C ATOM 2038 CE2 PHE A 129 -14.907 -0.867 -7.116 1.00 0.56 C ATOM 2039 CZ PHE A 129 -15.408 -2.126 -6.855 1.00 0.58 C ATOM 0 H PHE A 129 -9.465 -0.496 -4.174 1.00 0.28 H new ATOM 0 HA PHE A 129 -10.603 -2.669 -5.555 1.00 0.30 H new ATOM 0 HB2 PHE A 129 -11.760 -1.049 -4.014 1.00 0.36 H new ATOM 0 HB3 PHE A 129 -11.596 0.196 -5.236 1.00 0.36 H new ATOM 0 HD1 PHE A 129 -12.986 -3.251 -4.802 1.00 0.47 H new ATOM 0 HD2 PHE A 129 -13.323 0.518 -6.756 1.00 0.48 H new ATOM 0 HE1 PHE A 129 -15.105 -3.969 -5.815 1.00 0.55 H new ATOM 0 HE2 PHE A 129 -15.448 -0.194 -7.764 1.00 0.56 H new ATOM 0 HZ PHE A 129 -16.340 -2.441 -7.301 1.00 0.58 H new ATOM 2049 N GLU A 130 -9.312 -0.409 -7.412 1.00 0.29 N ATOM 2050 CA GLU A 130 -9.050 0.033 -8.774 1.00 0.31 C ATOM 2051 C GLU A 130 -7.839 -0.670 -9.374 1.00 0.29 C ATOM 2052 O GLU A 130 -7.790 -0.905 -10.581 1.00 0.32 O ATOM 2053 CB GLU A 130 -8.844 1.548 -8.808 1.00 0.36 C ATOM 2054 CG GLU A 130 -8.590 2.097 -10.203 1.00 0.93 C ATOM 2055 CD GLU A 130 -8.441 3.606 -10.218 1.00 1.41 C ATOM 2056 OE1 GLU A 130 -7.532 4.119 -9.532 1.00 2.43 O ATOM 2057 OE2 GLU A 130 -9.233 4.274 -10.916 1.00 1.52 O ATOM 0 H GLU A 130 -8.669 -0.030 -6.716 1.00 0.29 H new ATOM 0 HA GLU A 130 -9.920 -0.229 -9.377 1.00 0.31 H new ATOM 0 HB2 GLU A 130 -9.725 2.035 -8.390 1.00 0.36 H new ATOM 0 HB3 GLU A 130 -8.002 1.806 -8.166 1.00 0.36 H new ATOM 0 HG2 GLU A 130 -7.686 1.642 -10.609 1.00 0.93 H new ATOM 0 HG3 GLU A 130 -9.413 1.810 -10.858 1.00 0.93 H new ATOM 2064 N ILE A 131 -6.852 -0.995 -8.540 1.00 0.26 N ATOM 2065 CA ILE A 131 -5.651 -1.653 -9.039 1.00 0.27 C ATOM 2066 C ILE A 131 -5.959 -3.087 -9.425 1.00 0.27 C ATOM 2067 O ILE A 131 -5.367 -3.633 -10.357 1.00 0.30 O ATOM 2068 CB ILE A 131 -4.523 -1.638 -7.986 1.00 0.27 C ATOM 2069 CG1 ILE A 131 -4.689 -2.768 -6.954 1.00 0.29 C ATOM 2070 CG2 ILE A 131 -4.508 -0.291 -7.285 1.00 0.32 C ATOM 2071 CD1 ILE A 131 -3.514 -2.893 -6.013 1.00 0.59 C ATOM 0 H ILE A 131 -6.860 -0.817 -7.536 1.00 0.26 H new ATOM 0 HA ILE A 131 -5.314 -1.101 -9.916 1.00 0.27 H new ATOM 0 HB ILE A 131 -3.576 -1.802 -8.500 1.00 0.27 H new ATOM 0 HG12 ILE A 131 -5.594 -2.590 -6.373 1.00 0.29 H new ATOM 0 HG13 ILE A 131 -4.828 -3.713 -7.479 1.00 0.29 H new ATOM 0 HG21 ILE A 131 -3.712 -0.277 -6.540 1.00 0.32 H new ATOM 0 HG22 ILE A 131 -4.334 0.498 -8.017 1.00 0.32 H new ATOM 0 HG23 ILE A 131 -5.467 -0.126 -6.794 1.00 0.32 H new ATOM 0 HD11 ILE A 131 -3.695 -3.707 -5.311 1.00 0.59 H new ATOM 0 HD12 ILE A 131 -2.610 -3.101 -6.585 1.00 0.59 H new ATOM 0 HD13 ILE A 131 -3.388 -1.961 -5.462 1.00 0.59 H new ATOM 2083 N ALA A 132 -6.924 -3.667 -8.722 1.00 0.24 N ATOM 2084 CA ALA A 132 -7.373 -5.032 -8.986 1.00 0.25 C ATOM 2085 C ALA A 132 -8.288 -5.537 -7.875 1.00 0.23 C ATOM 2086 O ALA A 132 -7.833 -6.152 -6.914 1.00 0.28 O ATOM 2087 CB ALA A 132 -6.193 -5.977 -9.163 1.00 0.30 C ATOM 0 H ALA A 132 -7.417 -3.208 -7.956 1.00 0.24 H new ATOM 0 HA ALA A 132 -7.940 -5.011 -9.917 1.00 0.25 H new ATOM 0 HB1 ALA A 132 -6.560 -6.985 -9.358 1.00 0.30 H new ATOM 0 HB2 ALA A 132 -5.583 -5.644 -10.003 1.00 0.30 H new ATOM 0 HB3 ALA A 132 -5.590 -5.980 -8.255 1.00 0.30 H new ATOM 2093 N PRO A 133 -9.597 -5.283 -7.991 1.00 0.25 N ATOM 2094 CA PRO A 133 -10.574 -5.706 -7.000 1.00 0.31 C ATOM 2095 C PRO A 133 -11.186 -7.059 -7.338 1.00 0.35 C ATOM 2096 O PRO A 133 -12.221 -7.442 -6.791 1.00 0.45 O ATOM 2097 CB PRO A 133 -11.597 -4.597 -7.117 1.00 0.37 C ATOM 2098 CG PRO A 133 -11.655 -4.337 -8.585 1.00 0.37 C ATOM 2099 CD PRO A 133 -10.248 -4.547 -9.095 1.00 0.29 C ATOM 0 HA PRO A 133 -10.160 -5.844 -6.001 1.00 0.31 H new ATOM 0 HB2 PRO A 133 -12.567 -4.901 -6.724 1.00 0.37 H new ATOM 0 HB3 PRO A 133 -11.293 -3.709 -6.563 1.00 0.37 H new ATOM 0 HG2 PRO A 133 -12.354 -5.015 -9.075 1.00 0.37 H new ATOM 0 HG3 PRO A 133 -11.998 -3.323 -8.789 1.00 0.37 H new ATOM 0 HD2 PRO A 133 -10.237 -5.119 -10.023 1.00 0.29 H new ATOM 0 HD3 PRO A 133 -9.748 -3.600 -9.298 1.00 0.29 H new ATOM 2107 N GLU A 134 -10.524 -7.784 -8.233 1.00 0.32 N ATOM 2108 CA GLU A 134 -10.980 -9.108 -8.642 1.00 0.37 C ATOM 2109 C GLU A 134 -10.200 -10.145 -7.862 1.00 0.37 C ATOM 2110 O GLU A 134 -10.118 -11.315 -8.235 1.00 0.52 O ATOM 2111 CB GLU A 134 -10.783 -9.307 -10.147 1.00 0.44 C ATOM 2112 CG GLU A 134 -9.341 -9.136 -10.604 1.00 0.46 C ATOM 2113 CD GLU A 134 -9.173 -9.336 -12.097 1.00 0.54 C ATOM 2114 OE1 GLU A 134 -10.182 -9.618 -12.775 1.00 1.14 O ATOM 2115 OE2 GLU A 134 -8.031 -9.216 -12.589 1.00 0.87 O ATOM 0 H GLU A 134 -9.666 -7.476 -8.691 1.00 0.32 H new ATOM 0 HA GLU A 134 -12.045 -9.211 -8.433 1.00 0.37 H new ATOM 0 HB2 GLU A 134 -11.125 -10.305 -10.420 1.00 0.44 H new ATOM 0 HB3 GLU A 134 -11.412 -8.596 -10.684 1.00 0.44 H new ATOM 0 HG2 GLU A 134 -8.994 -8.138 -10.334 1.00 0.46 H new ATOM 0 HG3 GLU A 134 -8.709 -9.848 -10.073 1.00 0.46 H new ATOM 2122 N LEU A 135 -9.613 -9.669 -6.778 1.00 0.30 N ATOM 2123 CA LEU A 135 -8.801 -10.483 -5.899 1.00 0.35 C ATOM 2124 C LEU A 135 -9.657 -11.155 -4.842 1.00 0.34 C ATOM 2125 O LEU A 135 -10.631 -10.578 -4.375 1.00 0.39 O ATOM 2126 CB LEU A 135 -7.769 -9.580 -5.235 1.00 0.41 C ATOM 2127 CG LEU A 135 -6.539 -10.270 -4.658 1.00 0.69 C ATOM 2128 CD1 LEU A 135 -6.865 -10.929 -3.327 1.00 1.27 C ATOM 2129 CD2 LEU A 135 -5.977 -11.295 -5.633 1.00 1.41 C ATOM 0 H LEU A 135 -9.689 -8.696 -6.483 1.00 0.30 H new ATOM 0 HA LEU A 135 -8.309 -11.266 -6.476 1.00 0.35 H new ATOM 0 HB2 LEU A 135 -7.436 -8.844 -5.967 1.00 0.41 H new ATOM 0 HB3 LEU A 135 -8.261 -9.031 -4.432 1.00 0.41 H new ATOM 0 HG LEU A 135 -5.778 -9.508 -4.490 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -5.972 -11.415 -2.934 1.00 1.27 H new ATOM 0 HD12 LEU A 135 -7.207 -10.173 -2.621 1.00 1.27 H new ATOM 0 HD13 LEU A 135 -7.649 -11.672 -3.471 1.00 1.27 H new ATOM 0 HD21 LEU A 135 -5.100 -11.771 -5.195 1.00 1.41 H new ATOM 0 HD22 LEU A 135 -6.734 -12.051 -5.843 1.00 1.41 H new ATOM 0 HD23 LEU A 135 -5.694 -10.798 -6.561 1.00 1.41 H new ATOM 2141 N VAL A 136 -9.282 -12.366 -4.457 1.00 0.36 N ATOM 2142 CA VAL A 136 -10.019 -13.098 -3.438 1.00 0.38 C ATOM 2143 C VAL A 136 -9.060 -13.843 -2.510 1.00 0.42 C ATOM 2144 O VAL A 136 -8.013 -14.322 -2.947 1.00 0.53 O ATOM 2145 CB VAL A 136 -11.003 -14.102 -4.067 1.00 0.41 C ATOM 2146 CG1 VAL A 136 -10.260 -15.146 -4.889 1.00 0.46 C ATOM 2147 CG2 VAL A 136 -11.856 -14.763 -2.993 1.00 0.44 C ATOM 0 H VAL A 136 -8.474 -12.861 -4.834 1.00 0.36 H new ATOM 0 HA VAL A 136 -10.587 -12.368 -2.862 1.00 0.38 H new ATOM 0 HB VAL A 136 -11.665 -13.555 -4.738 1.00 0.41 H new ATOM 0 HG11 VAL A 136 -10.976 -15.844 -5.323 1.00 0.46 H new ATOM 0 HG12 VAL A 136 -9.704 -14.653 -5.687 1.00 0.46 H new ATOM 0 HG13 VAL A 136 -9.567 -15.690 -4.246 1.00 0.46 H new ATOM 0 HG21 VAL A 136 -12.544 -15.469 -3.458 1.00 0.44 H new ATOM 0 HG22 VAL A 136 -11.212 -15.293 -2.292 1.00 0.44 H new ATOM 0 HG23 VAL A 136 -12.424 -14.001 -2.459 1.00 0.44 H new ATOM 2157 N PHE A 137 -9.422 -13.951 -1.234 1.00 0.46 N ATOM 2158 CA PHE A 137 -8.589 -14.652 -0.268 1.00 0.53 C ATOM 2159 C PHE A 137 -8.821 -16.152 -0.386 1.00 0.57 C ATOM 2160 O PHE A 137 -9.867 -16.580 -0.880 1.00 0.60 O ATOM 2161 CB PHE A 137 -8.907 -14.188 1.161 1.00 0.59 C ATOM 2162 CG PHE A 137 -8.454 -12.786 1.485 1.00 0.58 C ATOM 2163 CD1 PHE A 137 -8.623 -11.764 0.561 1.00 0.55 C ATOM 2164 CD2 PHE A 137 -7.856 -12.487 2.699 1.00 0.66 C ATOM 2165 CE1 PHE A 137 -8.208 -10.478 0.844 1.00 0.59 C ATOM 2166 CE2 PHE A 137 -7.439 -11.202 2.987 1.00 0.68 C ATOM 2167 CZ PHE A 137 -7.619 -10.206 2.102 1.00 0.64 C ATOM 0 H PHE A 137 -10.283 -13.563 -0.849 1.00 0.46 H new ATOM 0 HA PHE A 137 -7.544 -14.426 -0.480 1.00 0.53 H new ATOM 0 HB2 PHE A 137 -9.984 -14.253 1.318 1.00 0.59 H new ATOM 0 HB3 PHE A 137 -8.440 -14.878 1.864 1.00 0.59 H new ATOM 0 HD1 PHE A 137 -9.085 -11.978 -0.392 1.00 0.55 H new ATOM 0 HD2 PHE A 137 -7.714 -13.269 3.430 1.00 0.66 H new ATOM 0 HE1 PHE A 137 -8.331 -9.690 0.115 1.00 0.59 H new ATOM 0 HE2 PHE A 137 -6.963 -10.995 3.934 1.00 0.68 H new ATOM 0 HZ PHE A 137 -7.315 -9.200 2.351 1.00 0.64 H new ATOM 2177 N PRO A 138 -7.864 -16.982 0.070 1.00 0.60 N ATOM 2178 CA PRO A 138 -8.001 -18.438 0.016 1.00 0.66 C ATOM 2179 C PRO A 138 -9.351 -18.880 0.569 1.00 0.73 C ATOM 2180 O PRO A 138 -9.838 -19.971 0.271 1.00 0.78 O ATOM 2181 CB PRO A 138 -6.861 -18.954 0.906 1.00 0.70 C ATOM 2182 CG PRO A 138 -6.271 -17.749 1.566 1.00 0.75 C ATOM 2183 CD PRO A 138 -6.592 -16.581 0.682 1.00 0.62 C ATOM 0 HA PRO A 138 -7.949 -18.822 -1.003 1.00 0.66 H new ATOM 0 HB2 PRO A 138 -7.235 -19.660 1.647 1.00 0.70 H new ATOM 0 HB3 PRO A 138 -6.112 -19.480 0.314 1.00 0.70 H new ATOM 0 HG2 PRO A 138 -6.690 -17.608 2.563 1.00 0.75 H new ATOM 0 HG3 PRO A 138 -5.193 -17.861 1.686 1.00 0.75 H new ATOM 0 HD2 PRO A 138 -6.690 -15.657 1.251 1.00 0.62 H new ATOM 0 HD3 PRO A 138 -5.817 -16.414 -0.066 1.00 0.62 H new ATOM 2191 N ASP A 139 -9.945 -18.006 1.372 1.00 0.77 N ATOM 2192 CA ASP A 139 -11.243 -18.259 1.982 1.00 0.87 C ATOM 2193 C ASP A 139 -12.369 -17.902 1.017 1.00 0.80 C ATOM 2194 O ASP A 139 -13.161 -18.756 0.617 1.00 1.03 O ATOM 2195 CB ASP A 139 -11.383 -17.419 3.251 1.00 0.92 C ATOM 2196 CG ASP A 139 -12.503 -17.908 4.150 1.00 1.33 C ATOM 2197 OD1 ASP A 139 -12.447 -19.076 4.587 1.00 1.72 O ATOM 2198 OD2 ASP A 139 -13.434 -17.119 4.417 1.00 1.91 O ATOM 0 H ASP A 139 -9.540 -17.103 1.618 1.00 0.77 H new ATOM 0 HA ASP A 139 -11.311 -19.319 2.227 1.00 0.87 H new ATOM 0 HB2 ASP A 139 -10.443 -17.440 3.803 1.00 0.92 H new ATOM 0 HB3 ASP A 139 -11.568 -16.380 2.977 1.00 0.92 H new ATOM 2203 N GLY A 140 -12.430 -16.624 0.657 1.00 0.59 N ATOM 2204 CA GLY A 140 -13.455 -16.144 -0.251 1.00 0.59 C ATOM 2205 C GLY A 140 -13.744 -14.669 -0.048 1.00 0.61 C ATOM 2206 O GLY A 140 -14.889 -14.231 -0.160 1.00 0.95 O ATOM 0 H GLY A 140 -11.781 -15.907 0.982 1.00 0.59 H new ATOM 0 HA2 GLY A 140 -13.137 -16.314 -1.280 1.00 0.59 H new ATOM 0 HA3 GLY A 140 -14.370 -16.717 -0.102 1.00 0.59 H new ATOM 2210 N GLU A 141 -12.698 -13.907 0.262 1.00 0.51 N ATOM 2211 CA GLU A 141 -12.824 -12.474 0.496 1.00 0.62 C ATOM 2212 C GLU A 141 -12.217 -11.680 -0.656 1.00 0.53 C ATOM 2213 O GLU A 141 -11.049 -11.848 -0.987 1.00 0.59 O ATOM 2214 CB GLU A 141 -12.128 -12.105 1.804 1.00 0.86 C ATOM 2215 CG GLU A 141 -12.169 -10.622 2.122 1.00 1.38 C ATOM 2216 CD GLU A 141 -11.460 -10.282 3.420 1.00 2.15 C ATOM 2217 OE1 GLU A 141 -10.934 -11.209 4.069 1.00 2.53 O ATOM 2218 OE2 GLU A 141 -11.435 -9.088 3.787 1.00 2.76 O ATOM 0 H GLU A 141 -11.747 -14.263 0.357 1.00 0.51 H new ATOM 0 HA GLU A 141 -13.883 -12.225 0.563 1.00 0.62 H new ATOM 0 HB2 GLU A 141 -12.595 -12.655 2.621 1.00 0.86 H new ATOM 0 HB3 GLU A 141 -11.088 -12.428 1.755 1.00 0.86 H new ATOM 0 HG2 GLU A 141 -11.709 -10.066 1.305 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -13.207 -10.296 2.184 1.00 1.38 H new ATOM 2225 N MET A 142 -13.013 -10.812 -1.263 1.00 0.48 N ATOM 2226 CA MET A 142 -12.541 -9.998 -2.378 1.00 0.41 C ATOM 2227 C MET A 142 -12.600 -8.520 -2.025 1.00 0.37 C ATOM 2228 O MET A 142 -13.382 -8.128 -1.164 1.00 0.39 O ATOM 2229 CB MET A 142 -13.396 -10.272 -3.613 1.00 0.42 C ATOM 2230 CG MET A 142 -13.471 -11.744 -3.980 1.00 0.49 C ATOM 2231 SD MET A 142 -14.431 -12.039 -5.480 1.00 0.55 S ATOM 2232 CE MET A 142 -13.497 -11.092 -6.678 1.00 1.68 C ATOM 0 H MET A 142 -13.987 -10.652 -1.005 1.00 0.48 H new ATOM 0 HA MET A 142 -11.505 -10.262 -2.589 1.00 0.41 H new ATOM 0 HB2 MET A 142 -14.404 -9.897 -3.438 1.00 0.42 H new ATOM 0 HB3 MET A 142 -12.991 -9.715 -4.457 1.00 0.42 H new ATOM 0 HG2 MET A 142 -12.462 -12.132 -4.117 1.00 0.49 H new ATOM 0 HG3 MET A 142 -13.916 -12.298 -3.154 1.00 0.49 H new ATOM 0 HE1 MET A 142 -13.505 -11.610 -7.637 1.00 1.68 H new ATOM 0 HE2 MET A 142 -13.948 -10.106 -6.794 1.00 1.68 H new ATOM 0 HE3 MET A 142 -12.469 -10.982 -6.333 1.00 1.68 H new ATOM 2242 N LEU A 143 -11.791 -7.688 -2.695 1.00 0.38 N ATOM 2243 CA LEU A 143 -11.817 -6.261 -2.417 1.00 0.39 C ATOM 2244 C LEU A 143 -13.240 -5.760 -2.616 1.00 0.41 C ATOM 2245 O LEU A 143 -13.669 -4.786 -2.000 1.00 0.50 O ATOM 2246 CB LEU A 143 -10.840 -5.517 -3.338 1.00 0.44 C ATOM 2247 CG LEU A 143 -10.316 -4.175 -2.805 1.00 0.51 C ATOM 2248 CD1 LEU A 143 -11.446 -3.181 -2.594 1.00 1.38 C ATOM 2249 CD2 LEU A 143 -9.537 -4.379 -1.514 1.00 1.56 C ATOM 0 H LEU A 143 -11.128 -7.977 -3.415 1.00 0.38 H new ATOM 0 HA LEU A 143 -11.504 -6.074 -1.390 1.00 0.39 H new ATOM 0 HB2 LEU A 143 -9.987 -6.167 -3.535 1.00 0.44 H new ATOM 0 HB3 LEU A 143 -11.333 -5.340 -4.294 1.00 0.44 H new ATOM 0 HG LEU A 143 -9.644 -3.760 -3.556 1.00 0.51 H new ATOM 0 HD11 LEU A 143 -11.039 -2.243 -2.216 1.00 1.38 H new ATOM 0 HD12 LEU A 143 -11.954 -3.001 -3.541 1.00 1.38 H new ATOM 0 HD13 LEU A 143 -12.156 -3.585 -1.873 1.00 1.38 H new ATOM 0 HD21 LEU A 143 -9.174 -3.417 -1.152 1.00 1.56 H new ATOM 0 HD22 LEU A 143 -10.188 -4.827 -0.763 1.00 1.56 H new ATOM 0 HD23 LEU A 143 -8.690 -5.039 -1.701 1.00 1.56 H new ATOM 2261 N ARG A 144 -13.981 -6.469 -3.466 1.00 0.39 N ATOM 2262 CA ARG A 144 -15.371 -6.128 -3.732 1.00 0.47 C ATOM 2263 C ARG A 144 -16.240 -6.539 -2.550 1.00 0.49 C ATOM 2264 O ARG A 144 -17.105 -5.784 -2.110 1.00 0.56 O ATOM 2265 CB ARG A 144 -15.854 -6.814 -5.012 1.00 0.54 C ATOM 2266 CG ARG A 144 -17.329 -6.590 -5.309 1.00 0.77 C ATOM 2267 CD ARG A 144 -17.680 -5.110 -5.332 1.00 0.88 C ATOM 2268 NE ARG A 144 -19.064 -4.880 -5.746 1.00 1.47 N ATOM 2269 CZ ARG A 144 -20.122 -5.299 -5.055 1.00 2.12 C ATOM 2270 NH1 ARG A 144 -19.960 -5.945 -3.908 1.00 2.68 N ATOM 2271 NH2 ARG A 144 -21.345 -5.067 -5.512 1.00 2.83 N ATOM 0 H ARG A 144 -13.640 -7.281 -3.980 1.00 0.39 H new ATOM 0 HA ARG A 144 -15.449 -5.050 -3.870 1.00 0.47 H new ATOM 0 HB2 ARG A 144 -15.264 -6.450 -5.853 1.00 0.54 H new ATOM 0 HB3 ARG A 144 -15.668 -7.885 -4.932 1.00 0.54 H new ATOM 0 HG2 ARG A 144 -17.579 -7.038 -6.271 1.00 0.77 H new ATOM 0 HG3 ARG A 144 -17.933 -7.096 -4.555 1.00 0.77 H new ATOM 0 HD2 ARG A 144 -17.523 -4.685 -4.341 1.00 0.88 H new ATOM 0 HD3 ARG A 144 -17.007 -4.589 -6.013 1.00 0.88 H new ATOM 0 HE ARG A 144 -19.228 -4.369 -6.614 1.00 1.47 H new ATOM 0 HH11 ARG A 144 -19.021 -6.123 -3.551 1.00 2.68 H new ATOM 0 HH12 ARG A 144 -20.774 -6.264 -3.383 1.00 2.68 H new ATOM 0 HH21 ARG A 144 -21.474 -4.568 -6.392 1.00 2.83 H new ATOM 0 HH22 ARG A 144 -22.156 -5.388 -4.983 1.00 2.83 H new ATOM 2285 N GLN A 145 -15.983 -7.737 -2.030 1.00 0.47 N ATOM 2286 CA GLN A 145 -16.721 -8.247 -0.884 1.00 0.52 C ATOM 2287 C GLN A 145 -16.410 -7.407 0.348 1.00 0.48 C ATOM 2288 O GLN A 145 -17.243 -7.271 1.247 1.00 0.56 O ATOM 2289 CB GLN A 145 -16.367 -9.719 -0.639 1.00 0.57 C ATOM 2290 CG GLN A 145 -16.980 -10.310 0.626 1.00 0.64 C ATOM 2291 CD GLN A 145 -16.191 -9.986 1.885 1.00 0.60 C ATOM 2292 OE1 GLN A 145 -15.021 -9.369 1.722 1.00 0.67 O flip ATOM 2293 NE2 GLN A 145 -16.621 -10.301 2.996 1.00 0.52 N flip ATOM 0 H GLN A 145 -15.268 -8.371 -2.387 1.00 0.47 H new ATOM 0 HA GLN A 145 -17.789 -8.181 -1.089 1.00 0.52 H new ATOM 0 HB2 GLN A 145 -16.695 -10.307 -1.496 1.00 0.57 H new ATOM 0 HB3 GLN A 145 -15.283 -9.815 -0.582 1.00 0.57 H new ATOM 0 HG2 GLN A 145 -17.998 -9.936 0.737 1.00 0.64 H new ATOM 0 HG3 GLN A 145 -17.048 -11.392 0.517 1.00 0.64 H new ATOM 0 HE21 GLN A 145 -17.522 -10.772 3.079 1.00 0.52 H new ATOM 0 HE22 GLN A 145 -16.076 -10.090 3.832 1.00 0.52 H new ATOM 2302 N ILE A 146 -15.207 -6.842 0.375 1.00 0.40 N ATOM 2303 CA ILE A 146 -14.781 -6.008 1.489 1.00 0.40 C ATOM 2304 C ILE A 146 -15.465 -4.652 1.421 1.00 0.43 C ATOM 2305 O ILE A 146 -16.128 -4.237 2.368 1.00 0.53 O ATOM 2306 CB ILE A 146 -13.254 -5.805 1.499 1.00 0.42 C ATOM 2307 CG1 ILE A 146 -12.535 -7.154 1.568 1.00 0.43 C ATOM 2308 CG2 ILE A 146 -12.853 -4.929 2.676 1.00 0.50 C ATOM 2309 CD1 ILE A 146 -11.029 -7.046 1.450 1.00 0.78 C ATOM 0 H ILE A 146 -14.511 -6.948 -0.363 1.00 0.40 H new ATOM 0 HA ILE A 146 -15.065 -6.523 2.407 1.00 0.40 H new ATOM 0 HB ILE A 146 -12.961 -5.307 0.575 1.00 0.42 H new ATOM 0 HG12 ILE A 146 -12.783 -7.640 2.511 1.00 0.43 H new ATOM 0 HG13 ILE A 146 -12.908 -7.796 0.770 1.00 0.43 H new ATOM 0 HG21 ILE A 146 -11.772 -4.791 2.675 1.00 0.50 H new ATOM 0 HG22 ILE A 146 -13.343 -3.959 2.591 1.00 0.50 H new ATOM 0 HG23 ILE A 146 -13.157 -5.409 3.607 1.00 0.50 H new ATOM 0 HD11 ILE A 146 -10.587 -8.041 1.507 1.00 0.78 H new ATOM 0 HD12 ILE A 146 -10.771 -6.589 0.495 1.00 0.78 H new ATOM 0 HD13 ILE A 146 -10.644 -6.431 2.263 1.00 0.78 H new ATOM 2321 N LEU A 147 -15.314 -3.965 0.292 1.00 0.42 N ATOM 2322 CA LEU A 147 -15.942 -2.662 0.121 1.00 0.50 C ATOM 2323 C LEU A 147 -17.465 -2.790 0.158 1.00 0.59 C ATOM 2324 O LEU A 147 -18.175 -1.798 0.283 1.00 0.72 O ATOM 2325 CB LEU A 147 -15.509 -2.007 -1.191 1.00 0.55 C ATOM 2326 CG LEU A 147 -14.127 -1.355 -1.167 1.00 0.61 C ATOM 2327 CD1 LEU A 147 -13.833 -0.689 -2.499 1.00 0.76 C ATOM 2328 CD2 LEU A 147 -14.034 -0.340 -0.036 1.00 0.62 C ATOM 0 H LEU A 147 -14.769 -4.285 -0.508 1.00 0.42 H new ATOM 0 HA LEU A 147 -15.617 -2.028 0.946 1.00 0.50 H new ATOM 0 HB2 LEU A 147 -15.524 -2.762 -1.977 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -16.246 -1.250 -1.461 1.00 0.55 H new ATOM 0 HG LEU A 147 -13.383 -2.133 -0.995 1.00 0.61 H new ATOM 0 HD11 LEU A 147 -12.845 -0.229 -2.466 1.00 0.76 H new ATOM 0 HD12 LEU A 147 -13.859 -1.436 -3.293 1.00 0.76 H new ATOM 0 HD13 LEU A 147 -14.583 0.077 -2.696 1.00 0.76 H new ATOM 0 HD21 LEU A 147 -13.043 0.114 -0.035 1.00 0.62 H new ATOM 0 HD22 LEU A 147 -14.787 0.434 -0.179 1.00 0.62 H new ATOM 0 HD23 LEU A 147 -14.205 -0.841 0.917 1.00 0.62 H new ATOM 2340 N HIS A 148 -17.960 -4.021 0.052 1.00 0.59 N ATOM 2341 CA HIS A 148 -19.398 -4.266 0.082 1.00 0.73 C ATOM 2342 C HIS A 148 -19.926 -4.125 1.505 1.00 0.79 C ATOM 2343 O HIS A 148 -21.088 -3.779 1.720 1.00 0.90 O ATOM 2344 CB HIS A 148 -19.719 -5.660 -0.462 1.00 0.77 C ATOM 2345 CG HIS A 148 -21.186 -5.937 -0.574 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -22.035 -5.186 -1.360 1.00 1.36 N ATOM 2347 CD2 HIS A 148 -21.958 -6.885 0.009 1.00 1.58 C ATOM 2348 CE1 HIS A 148 -23.265 -5.660 -1.256 1.00 1.28 C ATOM 2349 NE2 HIS A 148 -23.243 -6.691 -0.434 1.00 1.34 N ATOM 0 H HIS A 148 -17.389 -4.860 -0.055 1.00 0.59 H new ATOM 0 HA HIS A 148 -19.886 -3.526 -0.552 1.00 0.73 H new ATOM 0 HB2 HIS A 148 -19.261 -5.772 -1.445 1.00 0.77 H new ATOM 0 HB3 HIS A 148 -19.265 -6.408 0.188 1.00 0.77 H new ATOM 0 HD2 HIS A 148 -21.625 -7.650 0.694 1.00 1.58 H new ATOM 0 HE1 HIS A 148 -24.138 -5.270 -1.758 1.00 1.28 H new ATOM 0 HE2 HIS A 148 -24.051 -7.254 -0.170 1.00 1.34 H new ATOM 2358 N THR A 149 -19.053 -4.389 2.473 1.00 0.77 N ATOM 2359 CA THR A 149 -19.408 -4.287 3.884 1.00 0.88 C ATOM 2360 C THR A 149 -19.026 -2.912 4.408 1.00 0.86 C ATOM 2361 O THR A 149 -19.782 -2.265 5.133 1.00 0.94 O ATOM 2362 CB THR A 149 -18.686 -5.378 4.681 1.00 0.90 C ATOM 2363 OG1 THR A 149 -19.317 -5.589 5.933 1.00 1.10 O ATOM 2364 CG2 THR A 149 -17.228 -5.082 4.959 1.00 1.18 C ATOM 0 H THR A 149 -18.089 -4.677 2.304 1.00 0.77 H new ATOM 0 HA THR A 149 -20.483 -4.423 3.998 1.00 0.88 H new ATOM 0 HB THR A 149 -18.741 -6.261 4.045 1.00 0.90 H new ATOM 0 HG1 THR A 149 -18.841 -6.291 6.425 1.00 1.10 H new ATOM 0 HG21 THR A 149 -16.792 -5.904 5.527 1.00 1.18 H new ATOM 0 HG22 THR A 149 -16.693 -4.969 4.016 1.00 1.18 H new ATOM 0 HG23 THR A 149 -17.147 -4.160 5.535 1.00 1.18 H new ATOM 2372 N ARG A 150 -17.833 -2.492 4.025 1.00 0.86 N ATOM 2373 CA ARG A 150 -17.287 -1.204 4.427 1.00 0.93 C ATOM 2374 C ARG A 150 -17.804 -0.084 3.531 1.00 0.95 C ATOM 2375 O ARG A 150 -18.545 0.790 3.978 1.00 1.05 O ATOM 2376 CB ARG A 150 -15.760 -1.270 4.369 1.00 0.99 C ATOM 2377 CG ARG A 150 -15.169 -2.231 5.381 1.00 0.96 C ATOM 2378 CD ARG A 150 -15.208 -1.649 6.786 1.00 1.26 C ATOM 2379 NE ARG A 150 -14.747 -2.600 7.796 1.00 2.01 N ATOM 2380 CZ ARG A 150 -15.427 -3.686 8.155 1.00 2.55 C ATOM 2381 NH1 ARG A 150 -16.617 -3.934 7.629 1.00 2.55 N ATOM 2382 NH2 ARG A 150 -14.920 -4.518 9.054 1.00 3.55 N ATOM 0 H ARG A 150 -17.212 -3.035 3.425 1.00 0.86 H new ATOM 0 HA ARG A 150 -17.608 -0.986 5.446 1.00 0.93 H new ATOM 0 HB2 ARG A 150 -15.453 -1.572 3.368 1.00 0.99 H new ATOM 0 HB3 ARG A 150 -15.352 -0.274 4.541 1.00 0.99 H new ATOM 0 HG2 ARG A 150 -15.721 -3.170 5.359 1.00 0.96 H new ATOM 0 HG3 ARG A 150 -14.139 -2.461 5.109 1.00 0.96 H new ATOM 0 HD2 ARG A 150 -14.587 -0.754 6.823 1.00 1.26 H new ATOM 0 HD3 ARG A 150 -16.227 -1.340 7.020 1.00 1.26 H new ATOM 0 HE ARG A 150 -13.852 -2.421 8.252 1.00 2.01 H new ATOM 0 HH11 ARG A 150 -17.016 -3.291 6.945 1.00 2.55 H new ATOM 0 HH12 ARG A 150 -17.134 -4.768 7.908 1.00 2.55 H new ATOM 0 HH21 ARG A 150 -14.009 -4.326 9.470 1.00 3.55 H new ATOM 0 HH22 ARG A 150 -15.441 -5.351 9.329 1.00 3.55 H new ATOM 2396 N ALA A 151 -17.411 -0.126 2.261 1.00 0.94 N ATOM 2397 CA ALA A 151 -17.833 0.870 1.282 1.00 1.04 C ATOM 2398 C ALA A 151 -17.353 2.270 1.650 1.00 1.11 C ATOM 2399 O ALA A 151 -18.158 3.197 1.760 1.00 1.59 O ATOM 2400 CB ALA A 151 -19.349 0.853 1.131 1.00 1.61 C ATOM 0 H ALA A 151 -16.795 -0.846 1.884 1.00 0.94 H new ATOM 0 HA ALA A 151 -17.375 0.607 0.329 1.00 1.04 H new ATOM 0 HB1 ALA A 151 -19.650 1.601 0.398 1.00 1.61 H new ATOM 0 HB2 ALA A 151 -19.670 -0.133 0.796 1.00 1.61 H new ATOM 0 HB3 ALA A 151 -19.813 1.079 2.091 1.00 1.61 H new ATOM 2406 N PHE A 152 -16.045 2.429 1.828 1.00 1.09 N ATOM 2407 CA PHE A 152 -15.492 3.727 2.167 1.00 1.61 C ATOM 2408 C PHE A 152 -14.715 4.328 1.006 1.00 1.38 C ATOM 2409 O PHE A 152 -13.485 4.276 0.977 1.00 1.90 O ATOM 2410 CB PHE A 152 -14.580 3.640 3.388 1.00 2.51 C ATOM 2411 CG PHE A 152 -15.293 3.283 4.654 1.00 3.40 C ATOM 2412 CD1 PHE A 152 -15.582 1.962 4.953 1.00 3.42 C ATOM 2413 CD2 PHE A 152 -15.668 4.266 5.545 1.00 4.44 C ATOM 2414 CE1 PHE A 152 -16.238 1.629 6.122 1.00 4.40 C ATOM 2415 CE2 PHE A 152 -16.323 3.943 6.720 1.00 5.41 C ATOM 2416 CZ PHE A 152 -16.621 2.616 6.999 1.00 5.37 C ATOM 0 H PHE A 152 -15.357 1.680 1.743 1.00 1.09 H new ATOM 0 HA PHE A 152 -16.338 4.374 2.396 1.00 1.61 H new ATOM 0 HB2 PHE A 152 -13.805 2.898 3.198 1.00 2.51 H new ATOM 0 HB3 PHE A 152 -14.078 4.598 3.523 1.00 2.51 H new ATOM 0 HD1 PHE A 152 -15.291 1.183 4.264 1.00 3.42 H new ATOM 0 HD2 PHE A 152 -15.448 5.300 5.323 1.00 4.44 H new ATOM 0 HE1 PHE A 152 -16.450 0.594 6.347 1.00 4.40 H new ATOM 0 HE2 PHE A 152 -16.601 4.720 7.417 1.00 5.41 H new ATOM 0 HZ PHE A 152 -17.153 2.360 7.903 1.00 5.37 H new ATOM 2426 N ASP A 153 -15.435 4.931 0.069 1.00 1.04 N ATOM 2427 CA ASP A 153 -14.805 5.586 -1.068 1.00 1.18 C ATOM 2428 C ASP A 153 -14.248 6.934 -0.621 1.00 1.01 C ATOM 2429 O ASP A 153 -14.225 7.901 -1.382 1.00 1.40 O ATOM 2430 CB ASP A 153 -15.812 5.779 -2.206 1.00 1.46 C ATOM 2431 CG ASP A 153 -16.385 4.466 -2.706 1.00 2.05 C ATOM 2432 OD1 ASP A 153 -15.999 3.407 -2.166 1.00 2.54 O ATOM 2433 OD2 ASP A 153 -17.216 4.495 -3.638 1.00 2.52 O ATOM 0 H ASP A 153 -16.454 4.980 0.074 1.00 1.04 H new ATOM 0 HA ASP A 153 -13.994 4.960 -1.439 1.00 1.18 H new ATOM 0 HB2 ASP A 153 -16.625 6.419 -1.862 1.00 1.46 H new ATOM 0 HB3 ASP A 153 -15.326 6.297 -3.032 1.00 1.46 H new ATOM 2438 N LYS A 154 -13.813 6.971 0.639 1.00 0.68 N ATOM 2439 CA LYS A 154 -13.257 8.166 1.257 1.00 0.59 C ATOM 2440 C LYS A 154 -12.021 8.655 0.503 1.00 0.52 C ATOM 2441 O LYS A 154 -11.935 8.549 -0.720 1.00 0.67 O ATOM 2442 CB LYS A 154 -12.871 7.850 2.709 1.00 0.63 C ATOM 2443 CG LYS A 154 -14.018 7.356 3.576 1.00 0.79 C ATOM 2444 CD LYS A 154 -13.616 7.266 5.049 1.00 0.93 C ATOM 2445 CE LYS A 154 -12.347 6.445 5.255 1.00 0.94 C ATOM 2446 NZ LYS A 154 -12.482 5.058 4.740 1.00 1.77 N ATOM 0 H LYS A 154 -13.839 6.163 1.261 1.00 0.68 H new ATOM 0 HA LYS A 154 -14.011 8.952 1.226 1.00 0.59 H new ATOM 0 HB2 LYS A 154 -12.084 7.096 2.706 1.00 0.63 H new ATOM 0 HB3 LYS A 154 -12.450 8.747 3.163 1.00 0.63 H new ATOM 0 HG2 LYS A 154 -14.869 8.029 3.472 1.00 0.79 H new ATOM 0 HG3 LYS A 154 -14.342 6.376 3.227 1.00 0.79 H new ATOM 0 HD2 LYS A 154 -13.464 8.271 5.444 1.00 0.93 H new ATOM 0 HD3 LYS A 154 -14.431 6.820 5.619 1.00 0.93 H new ATOM 0 HE2 LYS A 154 -11.514 6.937 4.753 1.00 0.94 H new ATOM 0 HE3 LYS A 154 -12.106 6.414 6.318 1.00 0.94 H new ATOM 0 HZ1 LYS A 154 -11.614 4.524 4.948 1.00 1.77 H new ATOM 0 HZ2 LYS A 154 -13.292 4.594 5.199 1.00 1.77 H new ATOM 0 HZ3 LYS A 154 -12.635 5.083 3.712 1.00 1.77 H new ATOM 2460 N LEU A 155 -11.054 9.172 1.260 1.00 0.55 N ATOM 2461 CA LEU A 155 -9.800 9.665 0.706 1.00 0.57 C ATOM 2462 C LEU A 155 -10.050 10.506 -0.543 1.00 0.51 C ATOM 2463 O LEU A 155 -9.793 10.063 -1.664 1.00 0.61 O ATOM 2464 CB LEU A 155 -8.852 8.497 0.373 1.00 0.67 C ATOM 2465 CG LEU A 155 -8.996 7.223 1.231 1.00 0.81 C ATOM 2466 CD1 LEU A 155 -9.205 7.549 2.704 1.00 1.81 C ATOM 2467 CD2 LEU A 155 -10.122 6.351 0.706 1.00 1.95 C ATOM 0 H LEU A 155 -11.121 9.260 2.274 1.00 0.55 H new ATOM 0 HA LEU A 155 -9.328 10.294 1.461 1.00 0.57 H new ATOM 0 HB2 LEU A 155 -9.003 8.223 -0.671 1.00 0.67 H new ATOM 0 HB3 LEU A 155 -7.826 8.854 0.464 1.00 0.67 H new ATOM 0 HG LEU A 155 -8.061 6.669 1.154 1.00 0.81 H new ATOM 0 HD11 LEU A 155 -9.302 6.623 3.271 1.00 1.81 H new ATOM 0 HD12 LEU A 155 -8.351 8.115 3.076 1.00 1.81 H new ATOM 0 HD13 LEU A 155 -10.112 8.142 2.820 1.00 1.81 H new ATOM 0 HD21 LEU A 155 -10.208 5.457 1.324 1.00 1.95 H new ATOM 0 HD22 LEU A 155 -11.059 6.907 0.740 1.00 1.95 H new ATOM 0 HD23 LEU A 155 -9.909 6.062 -0.323 1.00 1.95 H new ATOM 2479 N ASN A 156 -10.552 11.720 -0.341 1.00 0.54 N ATOM 2480 CA ASN A 156 -10.838 12.624 -1.452 1.00 0.54 C ATOM 2481 C ASN A 156 -9.580 12.881 -2.273 1.00 0.53 C ATOM 2482 O ASN A 156 -8.545 13.272 -1.735 1.00 0.75 O ATOM 2483 CB ASN A 156 -11.421 13.942 -0.934 1.00 0.63 C ATOM 2484 CG ASN A 156 -10.556 14.594 0.129 1.00 1.07 C ATOM 2485 OD1 ASN A 156 -9.419 14.992 -0.130 1.00 2.09 O ATOM 2486 ND2 ASN A 156 -11.092 14.708 1.339 1.00 1.34 N ATOM 0 H ASN A 156 -10.769 12.101 0.580 1.00 0.54 H new ATOM 0 HA ASN A 156 -11.577 12.151 -2.098 1.00 0.54 H new ATOM 0 HB2 ASN A 156 -11.544 14.632 -1.769 1.00 0.63 H new ATOM 0 HB3 ASN A 156 -12.414 13.758 -0.524 1.00 0.63 H new ATOM 0 HD21 ASN A 156 -10.559 15.138 2.095 1.00 1.34 H new ATOM 0 HD22 ASN A 156 -12.037 14.366 1.512 1.00 1.34 H new ATOM 2493 N LYS A 157 -9.677 12.648 -3.581 1.00 0.46 N ATOM 2494 CA LYS A 157 -8.547 12.838 -4.486 1.00 0.46 C ATOM 2495 C LYS A 157 -7.825 14.156 -4.228 1.00 0.48 C ATOM 2496 O LYS A 157 -8.451 15.215 -4.169 1.00 0.64 O ATOM 2497 CB LYS A 157 -9.012 12.779 -5.943 1.00 0.54 C ATOM 2498 CG LYS A 157 -9.349 11.373 -6.416 1.00 0.60 C ATOM 2499 CD LYS A 157 -9.880 11.370 -7.843 1.00 1.33 C ATOM 2500 CE LYS A 157 -11.196 12.125 -7.954 1.00 1.77 C ATOM 2501 NZ LYS A 157 -11.728 12.112 -9.344 1.00 2.30 N ATOM 0 H LYS A 157 -10.530 12.326 -4.038 1.00 0.46 H new ATOM 0 HA LYS A 157 -7.843 12.028 -4.296 1.00 0.46 H new ATOM 0 HB2 LYS A 157 -9.890 13.414 -6.062 1.00 0.54 H new ATOM 0 HB3 LYS A 157 -8.231 13.191 -6.582 1.00 0.54 H new ATOM 0 HG2 LYS A 157 -8.459 10.747 -6.358 1.00 0.60 H new ATOM 0 HG3 LYS A 157 -10.092 10.934 -5.750 1.00 0.60 H new ATOM 0 HD2 LYS A 157 -9.143 11.823 -8.507 1.00 1.33 H new ATOM 0 HD3 LYS A 157 -10.021 10.342 -8.177 1.00 1.33 H new ATOM 0 HE2 LYS A 157 -11.928 11.679 -7.281 1.00 1.77 H new ATOM 0 HE3 LYS A 157 -11.052 13.156 -7.630 1.00 1.77 H new ATOM 0 HZ1 LYS A 157 -12.625 12.637 -9.377 1.00 2.30 H new ATOM 0 HZ2 LYS A 157 -11.041 12.560 -9.983 1.00 2.30 H new ATOM 0 HZ3 LYS A 157 -11.890 11.130 -9.644 1.00 2.30 H new ATOM 2515 N TRP A 158 -6.501 14.063 -4.082 1.00 0.45 N ATOM 2516 CA TRP A 158 -5.637 15.218 -3.839 1.00 0.54 C ATOM 2517 C TRP A 158 -6.240 16.505 -4.399 1.00 0.75 C ATOM 2518 O TRP A 158 -6.472 17.442 -3.607 1.00 1.21 O ATOM 2519 CB TRP A 158 -4.268 14.967 -4.476 1.00 0.62 C ATOM 2520 CG TRP A 158 -3.349 16.144 -4.404 1.00 0.71 C ATOM 2521 CD1 TRP A 158 -2.940 16.932 -5.443 1.00 0.98 C ATOM 2522 CD2 TRP A 158 -2.710 16.656 -3.234 1.00 0.72 C ATOM 2523 NE1 TRP A 158 -2.097 17.915 -4.983 1.00 1.04 N ATOM 2524 CE2 TRP A 158 -1.938 17.765 -3.632 1.00 0.89 C ATOM 2525 CE3 TRP A 158 -2.719 16.287 -1.889 1.00 0.81 C ATOM 2526 CZ2 TRP A 158 -1.185 18.508 -2.729 1.00 1.01 C ATOM 2527 CZ3 TRP A 158 -1.971 17.026 -0.994 1.00 1.03 C ATOM 2528 CH2 TRP A 158 -1.213 18.127 -1.416 1.00 1.07 C ATOM 2529 OXT TRP A 158 -6.473 16.564 -5.625 1.00 1.47 O ATOM 0 H TRP A 158 -5.996 13.178 -4.130 1.00 0.45 H new ATOM 0 HA TRP A 158 -5.534 15.344 -2.761 1.00 0.54 H new ATOM 0 HB2 TRP A 158 -3.797 14.118 -3.981 1.00 0.62 H new ATOM 0 HB3 TRP A 158 -4.408 14.690 -5.521 1.00 0.62 H new ATOM 0 HD1 TRP A 158 -3.236 16.801 -6.474 1.00 0.98 H new ATOM 0 HE1 TRP A 158 -1.661 18.638 -5.555 1.00 1.04 H new ATOM 0 HE3 TRP A 158 -3.300 15.440 -1.554 1.00 0.81 H new ATOM 0 HZ2 TRP A 158 -0.599 19.355 -3.053 1.00 1.01 H new ATOM 0 HZ3 TRP A 158 -1.970 16.751 0.050 1.00 1.03 H new ATOM 0 HH2 TRP A 158 -0.640 18.685 -0.690 1.00 1.07 H new TER 2540 TRP A 158