USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=27 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 -31:sc= 1.13 USER MOD Set 1.2: A 62 THR OG1 : rot 38:sc= 2.28 USER MOD Set 2.1: A 10 ASN : amide:sc= -14.8! C(o=-37!,f=-29!) USER MOD Set 2.2: A 48 GLN : amide:sc= -12.7! C(o=-37!,f=-32!) USER MOD Set 2.3: A 50 GLN : amide:sc= -9.12! C(o=-37!,f=-29!) USER MOD Single : A 1 THR N :NH3+ 156:sc= 1.3 (180deg=1.23) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 4 TYR OH : rot -130:sc= -2.52! USER MOD Single : A 9 SER OG : rot 136:sc= 0.00441 USER MOD Single : A 13 SER OG : rot 62:sc= -0.0352 USER MOD Single : A 17 GLN : amide:sc= -17.2! C(o=-17!,f=-14!) USER MOD Single : A 19 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.011) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= -0.0379 (180deg=-0.324) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 35 THR OG1 : rot -121:sc= -1.01 USER MOD Single : A 37 SER OG : rot -153:sc= -0.456 USER MOD Single : A 38 SER OG : rot -16:sc= 0.798 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -17:sc= -0.644 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -4.41! C(o=-4.4!,f=-1.6!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.315 K(o=-0.31,f=-2.1) USER MOD Single : A 72 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-7.7!) USER MOD Single : A 73 THR OG1 : rot -23:sc= 0.555 USER MOD Single : A 74 GLN : amide:sc= 1.11 K(o=1.1,f=-5.6!) USER MOD Single : A 79 GLN : amide:sc= -1.72! C(o=-1.7!,f=-5.2!) USER MOD Single : A 80 GLN : amide:sc= -5.8! C(o=-5.8!,f=-6.6!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -53:sc= 1.5 USER MOD Single : A 99 MET CE :methyl -175:sc= -3.26! (180deg=-3.36!) USER MOD Single : A 103 ASN : amide:sc= -5.09! K(o=-5.1!,f=-0.26) USER MOD Single : A 107 ASN : amide:sc= -2.98! K(o=-3!,f=-0.26) USER MOD Single : A 108 THR OG1 : rot -164:sc= -2.92! USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0246 USER MOD Single : A 115 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-4.6!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl -120:sc= -1.92 (180deg=-6.36!) USER MOD Single : A 119 LYS NZ :NH3+ 145:sc= 0.999 (180deg=-0.144) USER MOD Single : A 120 ASN : amide:sc= -10.9! C(o=-11!,f=-3.6!) USER MOD Single : A 124 MET CE :methyl 166:sc= -8.27! (180deg=-10.5!) USER MOD Single : A 142 MET CE :methyl -161:sc= -0.161 (180deg=-0.666) USER MOD Single : A 145 GLN : amide:sc= -9.7! C(o=-9.7!,f=-4.5!) USER MOD Single : A 148 HIS : no HD1:sc= -0.297 X(o=-0.3,f=0.0011) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 ASN : amide:sc= -5.25! K(o=-5.3!,f=-1.9) USER MOD Single : A 157 LYS NZ :NH3+ -140:sc= -2.61! (180deg=-4.06!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 1.632 -13.013 -9.534 1.00 0.73 N ATOM 2 CA THR A 1 0.553 -12.557 -8.620 1.00 0.53 C ATOM 3 C THR A 1 0.572 -11.039 -8.460 1.00 0.47 C ATOM 4 O THR A 1 1.616 -10.403 -8.602 1.00 0.70 O ATOM 5 CB THR A 1 0.742 -13.243 -7.264 1.00 0.54 C ATOM 6 OG1 THR A 1 0.749 -14.651 -7.414 1.00 0.58 O ATOM 7 CG2 THR A 1 -0.339 -12.898 -6.264 1.00 0.81 C ATOM 0 H1 THR A 1 1.868 -14.004 -9.325 1.00 0.73 H new ATOM 0 H2 THR A 1 1.308 -12.935 -10.519 1.00 0.73 H new ATOM 0 H3 THR A 1 2.475 -12.420 -9.399 1.00 0.73 H new ATOM 0 HA THR A 1 -0.416 -12.826 -9.041 1.00 0.53 H new ATOM 0 HB THR A 1 1.697 -12.878 -6.886 1.00 0.54 H new ATOM 0 HG1 THR A 1 0.872 -15.073 -6.538 1.00 0.58 H new ATOM 0 HG21 THR A 1 -0.145 -13.417 -5.325 1.00 0.81 H new ATOM 0 HG22 THR A 1 -0.343 -11.822 -6.090 1.00 0.81 H new ATOM 0 HG23 THR A 1 -1.309 -13.206 -6.655 1.00 0.81 H new ATOM 17 N VAL A 2 -0.591 -10.460 -8.174 1.00 0.44 N ATOM 18 CA VAL A 2 -0.706 -9.015 -8.004 1.00 0.42 C ATOM 19 C VAL A 2 -0.311 -8.575 -6.600 1.00 0.38 C ATOM 20 O VAL A 2 -0.709 -9.188 -5.610 1.00 0.43 O ATOM 21 CB VAL A 2 -2.140 -8.528 -8.281 1.00 0.51 C ATOM 22 CG1 VAL A 2 -2.272 -7.045 -7.966 1.00 1.29 C ATOM 23 CG2 VAL A 2 -2.533 -8.797 -9.721 1.00 0.85 C ATOM 0 H VAL A 2 -1.467 -10.969 -8.055 1.00 0.44 H new ATOM 0 HA VAL A 2 -0.021 -8.571 -8.726 1.00 0.42 H new ATOM 0 HB VAL A 2 -2.816 -9.083 -7.631 1.00 0.51 H new ATOM 0 HG11 VAL A 2 -3.292 -6.720 -8.168 1.00 1.29 H new ATOM 0 HG12 VAL A 2 -2.038 -6.874 -6.915 1.00 1.29 H new ATOM 0 HG13 VAL A 2 -1.580 -6.478 -8.589 1.00 1.29 H new ATOM 0 HG21 VAL A 2 -3.550 -8.444 -9.893 1.00 0.85 H new ATOM 0 HG22 VAL A 2 -1.850 -8.273 -10.389 1.00 0.85 H new ATOM 0 HG23 VAL A 2 -2.482 -9.868 -9.918 1.00 0.85 H new ATOM 33 N ALA A 3 0.460 -7.495 -6.524 1.00 0.38 N ATOM 34 CA ALA A 3 0.893 -6.949 -5.246 1.00 0.40 C ATOM 35 C ALA A 3 0.085 -5.702 -4.899 1.00 0.40 C ATOM 36 O ALA A 3 0.360 -4.611 -5.395 1.00 0.65 O ATOM 37 CB ALA A 3 2.380 -6.632 -5.276 1.00 0.43 C ATOM 0 H ALA A 3 0.798 -6.980 -7.337 1.00 0.38 H new ATOM 0 HA ALA A 3 0.719 -7.698 -4.474 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.685 -6.225 -4.312 1.00 0.43 H new ATOM 0 HB2 ALA A 3 2.942 -7.543 -5.479 1.00 0.43 H new ATOM 0 HB3 ALA A 3 2.580 -5.900 -6.059 1.00 0.43 H new ATOM 43 N TYR A 4 -0.916 -5.883 -4.044 1.00 0.25 N ATOM 44 CA TYR A 4 -1.781 -4.792 -3.617 1.00 0.24 C ATOM 45 C TYR A 4 -1.109 -4.011 -2.493 1.00 0.27 C ATOM 46 O TYR A 4 -1.371 -4.246 -1.312 1.00 0.35 O ATOM 47 CB TYR A 4 -3.111 -5.364 -3.158 1.00 0.25 C ATOM 48 CG TYR A 4 -3.743 -6.286 -4.180 1.00 0.27 C ATOM 49 CD1 TYR A 4 -3.286 -7.583 -4.342 1.00 0.55 C ATOM 50 CD2 TYR A 4 -4.797 -5.859 -4.979 1.00 0.62 C ATOM 51 CE1 TYR A 4 -3.862 -8.428 -5.266 1.00 0.61 C ATOM 52 CE2 TYR A 4 -5.376 -6.700 -5.908 1.00 0.66 C ATOM 53 CZ TYR A 4 -4.895 -7.975 -6.063 1.00 0.45 C ATOM 54 OH TYR A 4 -5.480 -8.829 -6.967 1.00 0.55 O ATOM 0 H TYR A 4 -1.149 -6.786 -3.630 1.00 0.25 H new ATOM 0 HA TYR A 4 -1.958 -4.109 -4.448 1.00 0.24 H new ATOM 0 HB2 TYR A 4 -2.963 -5.910 -2.226 1.00 0.25 H new ATOM 0 HB3 TYR A 4 -3.797 -4.545 -2.942 1.00 0.25 H new ATOM 0 HD1 TYR A 4 -2.466 -7.938 -3.735 1.00 0.55 H new ATOM 0 HD2 TYR A 4 -5.170 -4.851 -4.871 1.00 0.62 H new ATOM 0 HE1 TYR A 4 -3.506 -9.443 -5.367 1.00 0.61 H new ATOM 0 HE2 TYR A 4 -6.204 -6.356 -6.510 1.00 0.66 H new ATOM 0 HH TYR A 4 -5.520 -8.398 -7.846 1.00 0.55 H new ATOM 64 N ILE A 5 -0.209 -3.110 -2.872 1.00 0.28 N ATOM 65 CA ILE A 5 0.545 -2.318 -1.906 1.00 0.34 C ATOM 66 C ILE A 5 -0.189 -1.037 -1.513 1.00 0.34 C ATOM 67 O ILE A 5 -1.061 -0.559 -2.238 1.00 0.39 O ATOM 68 CB ILE A 5 1.929 -1.949 -2.473 1.00 0.41 C ATOM 69 CG1 ILE A 5 2.556 -3.162 -3.169 1.00 0.44 C ATOM 70 CG2 ILE A 5 2.836 -1.449 -1.361 1.00 0.53 C ATOM 71 CD1 ILE A 5 3.893 -2.871 -3.817 1.00 0.95 C ATOM 0 H ILE A 5 0.017 -2.909 -3.846 1.00 0.28 H new ATOM 0 HA ILE A 5 0.659 -2.935 -1.015 1.00 0.34 H new ATOM 0 HB ILE A 5 1.807 -1.152 -3.206 1.00 0.41 H new ATOM 0 HG12 ILE A 5 2.683 -3.962 -2.440 1.00 0.44 H new ATOM 0 HG13 ILE A 5 1.867 -3.530 -3.929 1.00 0.44 H new ATOM 0 HG21 ILE A 5 3.811 -1.192 -1.775 1.00 0.53 H new ATOM 0 HG22 ILE A 5 2.393 -0.566 -0.899 1.00 0.53 H new ATOM 0 HG23 ILE A 5 2.955 -2.230 -0.610 1.00 0.53 H new ATOM 0 HD11 ILE A 5 4.274 -3.777 -4.289 1.00 0.95 H new ATOM 0 HD12 ILE A 5 3.770 -2.093 -4.571 1.00 0.95 H new ATOM 0 HD13 ILE A 5 4.599 -2.533 -3.059 1.00 0.95 H new ATOM 83 N ALA A 6 0.180 -0.487 -0.355 1.00 0.40 N ATOM 84 CA ALA A 6 -0.431 0.741 0.145 1.00 0.44 C ATOM 85 C ALA A 6 0.618 1.823 0.373 1.00 0.42 C ATOM 86 O ALA A 6 1.461 1.703 1.260 1.00 0.58 O ATOM 87 CB ALA A 6 -1.182 0.465 1.439 1.00 0.53 C ATOM 0 H ALA A 6 0.901 -0.875 0.254 1.00 0.40 H new ATOM 0 HA ALA A 6 -1.133 1.099 -0.608 1.00 0.44 H new ATOM 0 HB1 ALA A 6 -1.633 1.388 1.802 1.00 0.53 H new ATOM 0 HB2 ALA A 6 -1.963 -0.273 1.256 1.00 0.53 H new ATOM 0 HB3 ALA A 6 -0.489 0.081 2.187 1.00 0.53 H new ATOM 93 N ILE A 7 0.559 2.882 -0.428 1.00 0.41 N ATOM 94 CA ILE A 7 1.507 3.985 -0.303 1.00 0.40 C ATOM 95 C ILE A 7 1.000 5.033 0.681 1.00 0.44 C ATOM 96 O ILE A 7 -0.199 5.295 0.761 1.00 0.52 O ATOM 97 CB ILE A 7 1.763 4.674 -1.659 1.00 0.50 C ATOM 98 CG1 ILE A 7 2.099 3.645 -2.743 1.00 0.65 C ATOM 99 CG2 ILE A 7 2.886 5.697 -1.523 1.00 0.53 C ATOM 100 CD1 ILE A 7 3.378 2.877 -2.489 1.00 0.99 C ATOM 0 H ILE A 7 -0.133 3.000 -1.168 1.00 0.41 H new ATOM 0 HA ILE A 7 2.439 3.553 0.062 1.00 0.40 H new ATOM 0 HB ILE A 7 0.852 5.191 -1.960 1.00 0.50 H new ATOM 0 HG12 ILE A 7 1.274 2.938 -2.826 1.00 0.65 H new ATOM 0 HG13 ILE A 7 2.179 4.156 -3.702 1.00 0.65 H new ATOM 0 HG21 ILE A 7 3.059 6.178 -2.486 1.00 0.53 H new ATOM 0 HG22 ILE A 7 2.605 6.450 -0.787 1.00 0.53 H new ATOM 0 HG23 ILE A 7 3.798 5.195 -1.199 1.00 0.53 H new ATOM 0 HD11 ILE A 7 3.545 2.169 -3.301 1.00 0.99 H new ATOM 0 HD12 ILE A 7 4.216 3.572 -2.436 1.00 0.99 H new ATOM 0 HD13 ILE A 7 3.296 2.335 -1.547 1.00 0.99 H new ATOM 112 N GLY A 8 1.923 5.644 1.415 1.00 0.50 N ATOM 113 CA GLY A 8 1.560 6.672 2.370 1.00 0.61 C ATOM 114 C GLY A 8 2.532 7.831 2.309 1.00 0.62 C ATOM 115 O GLY A 8 3.481 7.906 3.088 1.00 0.90 O ATOM 0 H GLY A 8 2.922 5.443 1.364 1.00 0.50 H new ATOM 0 HA2 GLY A 8 0.551 7.027 2.163 1.00 0.61 H new ATOM 0 HA3 GLY A 8 1.550 6.253 3.376 1.00 0.61 H new ATOM 119 N SER A 9 2.303 8.717 1.350 1.00 0.56 N ATOM 120 CA SER A 9 3.165 9.867 1.130 1.00 0.63 C ATOM 121 C SER A 9 2.575 11.146 1.710 1.00 0.66 C ATOM 122 O SER A 9 1.386 11.418 1.553 1.00 0.77 O ATOM 123 CB SER A 9 3.391 10.044 -0.371 1.00 0.77 C ATOM 124 OG SER A 9 2.158 10.138 -1.057 1.00 1.58 O ATOM 0 H SER A 9 1.516 8.658 0.704 1.00 0.56 H new ATOM 0 HA SER A 9 4.110 9.680 1.641 1.00 0.63 H new ATOM 0 HB2 SER A 9 3.982 10.942 -0.551 1.00 0.77 H new ATOM 0 HB3 SER A 9 3.965 9.202 -0.759 1.00 0.77 H new ATOM 0 HG SER A 9 2.203 10.865 -1.712 1.00 1.58 H new ATOM 130 N ASN A 10 3.426 11.936 2.356 1.00 0.69 N ATOM 131 CA ASN A 10 3.004 13.203 2.940 1.00 0.79 C ATOM 132 C ASN A 10 4.184 13.983 3.515 1.00 0.83 C ATOM 133 O ASN A 10 4.353 15.165 3.213 1.00 0.98 O ATOM 134 CB ASN A 10 1.913 13.005 4.006 1.00 0.99 C ATOM 135 CG ASN A 10 2.236 11.965 5.072 1.00 1.05 C ATOM 136 OD1 ASN A 10 1.531 11.862 6.073 1.00 2.01 O ATOM 137 ND2 ASN A 10 3.283 11.180 4.865 1.00 1.01 N ATOM 0 H ASN A 10 4.414 11.720 2.488 1.00 0.69 H new ATOM 0 HA ASN A 10 2.576 13.793 2.130 1.00 0.79 H new ATOM 0 HB2 ASN A 10 1.728 13.961 4.496 1.00 0.99 H new ATOM 0 HB3 ASN A 10 0.987 12.717 3.508 1.00 0.99 H new ATOM 0 HD21 ASN A 10 3.525 10.462 5.548 1.00 1.01 H new ATOM 0 HD22 ASN A 10 3.847 11.293 4.022 1.00 1.01 H new ATOM 144 N LEU A 11 4.991 13.331 4.341 1.00 0.83 N ATOM 145 CA LEU A 11 6.142 13.985 4.957 1.00 0.95 C ATOM 146 C LEU A 11 7.202 14.341 3.913 1.00 0.93 C ATOM 147 O LEU A 11 8.031 13.500 3.567 1.00 1.38 O ATOM 148 CB LEU A 11 6.742 13.077 6.040 1.00 1.12 C ATOM 149 CG LEU A 11 7.683 13.756 7.049 1.00 0.90 C ATOM 150 CD1 LEU A 11 8.940 14.282 6.372 1.00 1.77 C ATOM 151 CD2 LEU A 11 6.963 14.879 7.780 1.00 1.54 C ATOM 0 H LEU A 11 4.872 12.352 4.601 1.00 0.83 H new ATOM 0 HA LEU A 11 5.802 14.913 5.416 1.00 0.95 H new ATOM 0 HB2 LEU A 11 5.924 12.615 6.592 1.00 1.12 H new ATOM 0 HB3 LEU A 11 7.289 12.273 5.548 1.00 1.12 H new ATOM 0 HG LEU A 11 7.987 13.003 7.776 1.00 0.90 H new ATOM 0 HD11 LEU A 11 9.582 14.756 7.115 1.00 1.77 H new ATOM 0 HD12 LEU A 11 9.475 13.455 5.904 1.00 1.77 H new ATOM 0 HD13 LEU A 11 8.665 15.013 5.611 1.00 1.77 H new ATOM 0 HD21 LEU A 11 7.645 15.347 8.490 1.00 1.54 H new ATOM 0 HD22 LEU A 11 6.622 15.622 7.059 1.00 1.54 H new ATOM 0 HD23 LEU A 11 6.105 14.473 8.316 1.00 1.54 H new ATOM 163 N ALA A 12 7.158 15.602 3.447 1.00 0.84 N ATOM 164 CA ALA A 12 8.098 16.162 2.456 1.00 0.91 C ATOM 165 C ALA A 12 7.405 16.495 1.139 1.00 0.95 C ATOM 166 O ALA A 12 7.523 17.612 0.634 1.00 1.72 O ATOM 167 CB ALA A 12 9.299 15.258 2.200 1.00 0.97 C ATOM 0 H ALA A 12 6.455 16.274 3.754 1.00 0.84 H new ATOM 0 HA ALA A 12 8.470 17.086 2.898 1.00 0.91 H new ATOM 0 HB1 ALA A 12 9.954 15.723 1.463 1.00 0.97 H new ATOM 0 HB2 ALA A 12 9.847 15.109 3.130 1.00 0.97 H new ATOM 0 HB3 ALA A 12 8.955 14.294 1.824 1.00 0.97 H new ATOM 173 N SER A 13 6.684 15.526 0.579 1.00 0.81 N ATOM 174 CA SER A 13 5.981 15.731 -0.689 1.00 0.79 C ATOM 175 C SER A 13 5.154 14.503 -1.074 1.00 0.71 C ATOM 176 O SER A 13 5.676 13.551 -1.652 1.00 0.71 O ATOM 177 CB SER A 13 6.978 16.053 -1.805 1.00 0.89 C ATOM 178 OG SER A 13 7.916 15.004 -1.971 1.00 1.47 O ATOM 0 H SER A 13 6.570 14.595 0.980 1.00 0.81 H new ATOM 0 HA SER A 13 5.302 16.573 -0.557 1.00 0.79 H new ATOM 0 HB2 SER A 13 6.442 16.216 -2.740 1.00 0.89 H new ATOM 0 HB3 SER A 13 7.502 16.980 -1.572 1.00 0.89 H new ATOM 0 HG SER A 13 7.447 14.184 -2.232 1.00 1.47 H new ATOM 184 N PRO A 14 3.849 14.510 -0.757 1.00 0.69 N ATOM 185 CA PRO A 14 2.950 13.391 -1.069 1.00 0.66 C ATOM 186 C PRO A 14 2.932 13.019 -2.553 1.00 0.67 C ATOM 187 O PRO A 14 2.533 11.914 -2.915 1.00 0.66 O ATOM 188 CB PRO A 14 1.573 13.909 -0.658 1.00 0.68 C ATOM 189 CG PRO A 14 1.831 14.998 0.324 1.00 0.80 C ATOM 190 CD PRO A 14 3.146 15.610 -0.069 1.00 0.78 C ATOM 0 HA PRO A 14 3.268 12.485 -0.553 1.00 0.66 H new ATOM 0 HB2 PRO A 14 1.021 14.282 -1.521 1.00 0.68 H new ATOM 0 HB3 PRO A 14 0.972 13.115 -0.214 1.00 0.68 H new ATOM 0 HG2 PRO A 14 1.033 15.740 0.301 1.00 0.80 H new ATOM 0 HG3 PRO A 14 1.872 14.605 1.340 1.00 0.80 H new ATOM 0 HD2 PRO A 14 3.008 16.470 -0.725 1.00 0.78 H new ATOM 0 HD3 PRO A 14 3.702 15.959 0.801 1.00 0.78 H new ATOM 198 N LEU A 15 3.334 13.950 -3.412 1.00 0.73 N ATOM 199 CA LEU A 15 3.324 13.709 -4.853 1.00 0.78 C ATOM 200 C LEU A 15 4.598 13.016 -5.339 1.00 0.73 C ATOM 201 O LEU A 15 4.544 11.919 -5.896 1.00 0.79 O ATOM 202 CB LEU A 15 3.131 15.030 -5.604 1.00 0.92 C ATOM 203 CG LEU A 15 2.951 14.901 -7.118 1.00 0.98 C ATOM 204 CD1 LEU A 15 1.700 14.098 -7.443 1.00 1.00 C ATOM 205 CD2 LEU A 15 2.886 16.277 -7.764 1.00 1.15 C ATOM 0 H LEU A 15 3.669 14.874 -3.139 1.00 0.73 H new ATOM 0 HA LEU A 15 2.490 13.038 -5.061 1.00 0.78 H new ATOM 0 HB2 LEU A 15 2.259 15.539 -5.193 1.00 0.92 H new ATOM 0 HB3 LEU A 15 3.993 15.668 -5.410 1.00 0.92 H new ATOM 0 HG LEU A 15 3.812 14.370 -7.523 1.00 0.98 H new ATOM 0 HD11 LEU A 15 1.590 14.018 -8.524 1.00 1.00 H new ATOM 0 HD12 LEU A 15 1.786 13.101 -7.012 1.00 1.00 H new ATOM 0 HD13 LEU A 15 0.827 14.600 -7.026 1.00 1.00 H new ATOM 0 HD21 LEU A 15 2.758 16.168 -8.841 1.00 1.15 H new ATOM 0 HD22 LEU A 15 2.043 16.833 -7.353 1.00 1.15 H new ATOM 0 HD23 LEU A 15 3.810 16.818 -7.562 1.00 1.15 H new ATOM 217 N GLU A 16 5.734 13.673 -5.145 1.00 0.71 N ATOM 218 CA GLU A 16 7.022 13.143 -5.581 1.00 0.71 C ATOM 219 C GLU A 16 7.385 11.840 -4.880 1.00 0.63 C ATOM 220 O GLU A 16 8.220 11.079 -5.370 1.00 0.65 O ATOM 221 CB GLU A 16 8.099 14.183 -5.320 1.00 0.81 C ATOM 222 CG GLU A 16 8.022 15.370 -6.261 1.00 0.95 C ATOM 223 CD GLU A 16 8.328 14.993 -7.698 1.00 1.57 C ATOM 224 OE1 GLU A 16 9.448 14.508 -7.958 1.00 2.35 O ATOM 225 OE2 GLU A 16 7.446 15.186 -8.561 1.00 2.01 O ATOM 0 H GLU A 16 5.791 14.581 -4.685 1.00 0.71 H new ATOM 0 HA GLU A 16 6.948 12.923 -6.646 1.00 0.71 H new ATOM 0 HB2 GLU A 16 8.013 14.536 -4.292 1.00 0.81 H new ATOM 0 HB3 GLU A 16 9.079 13.714 -5.415 1.00 0.81 H new ATOM 0 HG2 GLU A 16 7.025 15.807 -6.208 1.00 0.95 H new ATOM 0 HG3 GLU A 16 8.724 16.136 -5.932 1.00 0.95 H new ATOM 232 N GLN A 17 6.768 11.590 -3.737 1.00 0.59 N ATOM 233 CA GLN A 17 7.048 10.379 -2.980 1.00 0.56 C ATOM 234 C GLN A 17 6.315 9.177 -3.566 1.00 0.55 C ATOM 235 O GLN A 17 6.698 8.032 -3.330 1.00 0.61 O ATOM 236 CB GLN A 17 6.690 10.594 -1.512 1.00 0.62 C ATOM 237 CG GLN A 17 7.627 11.574 -0.824 1.00 0.71 C ATOM 238 CD GLN A 17 7.069 12.153 0.463 1.00 1.20 C ATOM 239 OE1 GLN A 17 7.729 12.948 1.126 1.00 1.99 O ATOM 240 NE2 GLN A 17 5.854 11.762 0.823 1.00 1.63 N ATOM 0 H GLN A 17 6.073 12.205 -3.314 1.00 0.59 H new ATOM 0 HA GLN A 17 8.114 10.162 -3.047 1.00 0.56 H new ATOM 0 HB2 GLN A 17 5.667 10.963 -1.441 1.00 0.62 H new ATOM 0 HB3 GLN A 17 6.721 9.638 -0.989 1.00 0.62 H new ATOM 0 HG2 GLN A 17 8.569 11.070 -0.607 1.00 0.71 H new ATOM 0 HG3 GLN A 17 7.853 12.390 -1.511 1.00 0.71 H new ATOM 0 HE21 GLN A 17 5.339 11.099 0.243 1.00 1.63 H new ATOM 0 HE22 GLN A 17 5.435 12.124 1.679 1.00 1.63 H new ATOM 249 N VAL A 18 5.271 9.443 -4.346 1.00 0.56 N ATOM 250 CA VAL A 18 4.501 8.379 -4.978 1.00 0.62 C ATOM 251 C VAL A 18 5.064 8.036 -6.355 1.00 0.60 C ATOM 252 O VAL A 18 5.091 6.870 -6.749 1.00 0.64 O ATOM 253 CB VAL A 18 3.016 8.763 -5.127 1.00 0.76 C ATOM 254 CG1 VAL A 18 2.243 7.662 -5.839 1.00 0.82 C ATOM 255 CG2 VAL A 18 2.403 9.052 -3.767 1.00 0.83 C ATOM 0 H VAL A 18 4.940 10.385 -4.555 1.00 0.56 H new ATOM 0 HA VAL A 18 4.578 7.509 -4.326 1.00 0.62 H new ATOM 0 HB VAL A 18 2.956 9.667 -5.733 1.00 0.76 H new ATOM 0 HG11 VAL A 18 1.197 7.954 -5.933 1.00 0.82 H new ATOM 0 HG12 VAL A 18 2.666 7.503 -6.831 1.00 0.82 H new ATOM 0 HG13 VAL A 18 2.311 6.739 -5.263 1.00 0.82 H new ATOM 0 HG21 VAL A 18 1.354 9.322 -3.891 1.00 0.83 H new ATOM 0 HG22 VAL A 18 2.478 8.165 -3.138 1.00 0.83 H new ATOM 0 HG23 VAL A 18 2.937 9.877 -3.295 1.00 0.83 H new ATOM 265 N ASN A 19 5.509 9.058 -7.083 1.00 0.60 N ATOM 266 CA ASN A 19 6.064 8.856 -8.417 1.00 0.64 C ATOM 267 C ASN A 19 7.237 7.881 -8.393 1.00 0.56 C ATOM 268 O ASN A 19 7.361 7.032 -9.274 1.00 0.63 O ATOM 269 CB ASN A 19 6.504 10.190 -9.021 1.00 0.72 C ATOM 270 CG ASN A 19 5.331 11.106 -9.304 1.00 0.82 C ATOM 271 OD1 ASN A 19 4.412 10.747 -10.039 1.00 0.92 O ATOM 272 ND2 ASN A 19 5.359 12.301 -8.726 1.00 0.84 N ATOM 0 H ASN A 19 5.496 10.029 -6.772 1.00 0.60 H new ATOM 0 HA ASN A 19 5.279 8.424 -9.038 1.00 0.64 H new ATOM 0 HB2 ASN A 19 7.193 10.686 -8.338 1.00 0.72 H new ATOM 0 HB3 ASN A 19 7.050 10.005 -9.946 1.00 0.72 H new ATOM 0 HD21 ASN A 19 4.599 12.962 -8.885 1.00 0.84 H new ATOM 0 HD22 ASN A 19 6.141 12.558 -8.123 1.00 0.84 H new ATOM 279 N ALA A 20 8.094 8.005 -7.386 1.00 0.47 N ATOM 280 CA ALA A 20 9.256 7.133 -7.264 1.00 0.42 C ATOM 281 C ALA A 20 8.909 5.836 -6.540 1.00 0.35 C ATOM 282 O ALA A 20 9.562 4.813 -6.741 1.00 0.36 O ATOM 283 CB ALA A 20 10.384 7.856 -6.545 1.00 0.43 C ATOM 0 H ALA A 20 8.006 8.699 -6.644 1.00 0.47 H new ATOM 0 HA ALA A 20 9.585 6.873 -8.270 1.00 0.42 H new ATOM 0 HB1 ALA A 20 11.245 7.193 -6.461 1.00 0.43 H new ATOM 0 HB2 ALA A 20 10.664 8.745 -7.109 1.00 0.43 H new ATOM 0 HB3 ALA A 20 10.052 8.148 -5.549 1.00 0.43 H new ATOM 289 N ALA A 21 7.883 5.882 -5.698 1.00 0.36 N ATOM 290 CA ALA A 21 7.459 4.705 -4.947 1.00 0.39 C ATOM 291 C ALA A 21 6.910 3.620 -5.872 1.00 0.41 C ATOM 292 O ALA A 21 7.191 2.437 -5.687 1.00 0.44 O ATOM 293 CB ALA A 21 6.419 5.087 -3.906 1.00 0.46 C ATOM 0 H ALA A 21 7.330 6.720 -5.518 1.00 0.36 H new ATOM 0 HA ALA A 21 8.335 4.300 -4.440 1.00 0.39 H new ATOM 0 HB1 ALA A 21 6.113 4.198 -3.354 1.00 0.46 H new ATOM 0 HB2 ALA A 21 6.846 5.814 -3.215 1.00 0.46 H new ATOM 0 HB3 ALA A 21 5.552 5.523 -4.401 1.00 0.46 H new ATOM 299 N LEU A 22 6.123 4.032 -6.861 1.00 0.47 N ATOM 300 CA LEU A 22 5.528 3.092 -7.808 1.00 0.53 C ATOM 301 C LEU A 22 6.501 2.765 -8.930 1.00 0.50 C ATOM 302 O LEU A 22 6.672 1.605 -9.306 1.00 0.64 O ATOM 303 CB LEU A 22 4.244 3.677 -8.406 1.00 0.70 C ATOM 304 CG LEU A 22 3.327 4.390 -7.409 1.00 0.81 C ATOM 305 CD1 LEU A 22 1.964 4.656 -8.031 1.00 1.28 C ATOM 306 CD2 LEU A 22 3.198 3.577 -6.135 1.00 1.35 C ATOM 0 H LEU A 22 5.882 5.009 -7.028 1.00 0.47 H new ATOM 0 HA LEU A 22 5.292 2.176 -7.266 1.00 0.53 H new ATOM 0 HB2 LEU A 22 4.516 4.381 -9.192 1.00 0.70 H new ATOM 0 HB3 LEU A 22 3.683 2.871 -8.880 1.00 0.70 H new ATOM 0 HG LEU A 22 3.771 5.352 -7.153 1.00 0.81 H new ATOM 0 HD11 LEU A 22 1.326 5.163 -7.307 1.00 1.28 H new ATOM 0 HD12 LEU A 22 2.083 5.285 -8.913 1.00 1.28 H new ATOM 0 HD13 LEU A 22 1.505 3.710 -8.319 1.00 1.28 H new ATOM 0 HD21 LEU A 22 2.543 4.097 -5.436 1.00 1.35 H new ATOM 0 HD22 LEU A 22 2.776 2.599 -6.368 1.00 1.35 H new ATOM 0 HD23 LEU A 22 4.182 3.449 -5.684 1.00 1.35 H new ATOM 318 N LYS A 23 7.122 3.804 -9.465 1.00 0.45 N ATOM 319 CA LYS A 23 8.075 3.648 -10.562 1.00 0.49 C ATOM 320 C LYS A 23 9.193 2.683 -10.176 1.00 0.43 C ATOM 321 O LYS A 23 9.611 1.850 -10.983 1.00 0.51 O ATOM 322 CB LYS A 23 8.657 5.011 -10.959 1.00 0.56 C ATOM 323 CG LYS A 23 9.402 5.013 -12.289 1.00 0.93 C ATOM 324 CD LYS A 23 10.784 4.386 -12.183 1.00 1.62 C ATOM 325 CE LYS A 23 11.703 5.202 -11.289 1.00 2.52 C ATOM 326 NZ LYS A 23 11.901 6.584 -11.810 1.00 3.23 N ATOM 0 H LYS A 23 6.986 4.768 -9.160 1.00 0.45 H new ATOM 0 HA LYS A 23 7.546 3.230 -11.419 1.00 0.49 H new ATOM 0 HB2 LYS A 23 7.846 5.738 -11.009 1.00 0.56 H new ATOM 0 HB3 LYS A 23 9.337 5.345 -10.175 1.00 0.56 H new ATOM 0 HG2 LYS A 23 8.816 4.470 -13.031 1.00 0.93 H new ATOM 0 HG3 LYS A 23 9.498 6.038 -12.647 1.00 0.93 H new ATOM 0 HD2 LYS A 23 10.695 3.374 -11.787 1.00 1.62 H new ATOM 0 HD3 LYS A 23 11.223 4.302 -13.177 1.00 1.62 H new ATOM 0 HE2 LYS A 23 11.284 5.249 -10.284 1.00 2.52 H new ATOM 0 HE3 LYS A 23 12.668 4.703 -11.208 1.00 2.52 H new ATOM 0 HZ1 LYS A 23 12.693 7.034 -11.308 1.00 3.23 H new ATOM 0 HZ2 LYS A 23 12.114 6.544 -12.827 1.00 3.23 H new ATOM 0 HZ3 LYS A 23 11.035 7.139 -11.659 1.00 3.23 H new ATOM 340 N ALA A 24 9.673 2.797 -8.943 1.00 0.37 N ATOM 341 CA ALA A 24 10.746 1.935 -8.457 1.00 0.41 C ATOM 342 C ALA A 24 10.320 0.469 -8.436 1.00 0.41 C ATOM 343 O ALA A 24 11.163 -0.427 -8.437 1.00 0.43 O ATOM 344 CB ALA A 24 11.192 2.374 -7.070 1.00 0.46 C ATOM 0 H ALA A 24 9.337 3.477 -8.261 1.00 0.37 H new ATOM 0 HA ALA A 24 11.585 2.029 -9.146 1.00 0.41 H new ATOM 0 HB1 ALA A 24 11.992 1.721 -6.722 1.00 0.46 H new ATOM 0 HB2 ALA A 24 11.554 3.401 -7.112 1.00 0.46 H new ATOM 0 HB3 ALA A 24 10.349 2.314 -6.381 1.00 0.46 H new ATOM 350 N LEU A 25 9.011 0.230 -8.415 1.00 0.43 N ATOM 351 CA LEU A 25 8.490 -1.133 -8.391 1.00 0.48 C ATOM 352 C LEU A 25 8.678 -1.807 -9.744 1.00 0.49 C ATOM 353 O LEU A 25 8.775 -3.032 -9.830 1.00 0.57 O ATOM 354 CB LEU A 25 7.008 -1.136 -8.007 1.00 0.53 C ATOM 355 CG LEU A 25 6.682 -0.494 -6.657 1.00 0.70 C ATOM 356 CD1 LEU A 25 5.187 -0.554 -6.389 1.00 0.95 C ATOM 357 CD2 LEU A 25 7.452 -1.176 -5.536 1.00 1.00 C ATOM 0 H LEU A 25 8.296 0.958 -8.414 1.00 0.43 H new ATOM 0 HA LEU A 25 9.049 -1.694 -7.642 1.00 0.48 H new ATOM 0 HB2 LEU A 25 6.447 -0.615 -8.783 1.00 0.53 H new ATOM 0 HB3 LEU A 25 6.655 -2.167 -7.995 1.00 0.53 H new ATOM 0 HG LEU A 25 6.987 0.552 -6.692 1.00 0.70 H new ATOM 0 HD11 LEU A 25 4.971 -0.093 -5.425 1.00 0.95 H new ATOM 0 HD12 LEU A 25 4.655 -0.018 -7.175 1.00 0.95 H new ATOM 0 HD13 LEU A 25 4.861 -1.594 -6.375 1.00 0.95 H new ATOM 0 HD21 LEU A 25 7.205 -0.704 -4.585 1.00 1.00 H new ATOM 0 HD22 LEU A 25 7.181 -2.231 -5.498 1.00 1.00 H new ATOM 0 HD23 LEU A 25 8.522 -1.083 -5.720 1.00 1.00 H new ATOM 369 N GLY A 26 8.740 -1.002 -10.800 1.00 0.47 N ATOM 370 CA GLY A 26 8.930 -1.546 -12.129 1.00 0.53 C ATOM 371 C GLY A 26 10.307 -2.148 -12.292 1.00 0.50 C ATOM 372 O GLY A 26 10.513 -3.050 -13.106 1.00 0.64 O ATOM 0 H GLY A 26 8.662 0.014 -10.758 1.00 0.47 H new ATOM 0 HA2 GLY A 26 8.174 -2.307 -12.323 1.00 0.53 H new ATOM 0 HA3 GLY A 26 8.786 -0.759 -12.869 1.00 0.53 H new ATOM 376 N ASP A 27 11.251 -1.646 -11.502 1.00 0.43 N ATOM 377 CA ASP A 27 12.615 -2.116 -11.534 1.00 0.46 C ATOM 378 C ASP A 27 12.822 -3.260 -10.545 1.00 0.41 C ATOM 379 O ASP A 27 13.754 -4.053 -10.684 1.00 0.56 O ATOM 380 CB ASP A 27 13.541 -0.955 -11.198 1.00 0.59 C ATOM 381 CG ASP A 27 13.600 0.082 -12.304 1.00 1.05 C ATOM 382 OD1 ASP A 27 12.909 -0.101 -13.328 1.00 1.50 O ATOM 383 OD2 ASP A 27 14.337 1.077 -12.145 1.00 1.48 O ATOM 0 H ASP A 27 11.083 -0.902 -10.825 1.00 0.43 H new ATOM 0 HA ASP A 27 12.840 -2.495 -12.531 1.00 0.46 H new ATOM 0 HB2 ASP A 27 13.203 -0.480 -10.277 1.00 0.59 H new ATOM 0 HB3 ASP A 27 14.544 -1.338 -11.010 1.00 0.59 H new ATOM 388 N ILE A 28 11.945 -3.338 -9.544 1.00 0.37 N ATOM 389 CA ILE A 28 12.030 -4.385 -8.532 1.00 0.36 C ATOM 390 C ILE A 28 12.088 -5.768 -9.181 1.00 0.42 C ATOM 391 O ILE A 28 11.339 -6.058 -10.114 1.00 0.47 O ATOM 392 CB ILE A 28 10.842 -4.319 -7.544 1.00 0.41 C ATOM 393 CG1 ILE A 28 10.880 -3.010 -6.747 1.00 0.45 C ATOM 394 CG2 ILE A 28 10.857 -5.515 -6.600 1.00 0.47 C ATOM 395 CD1 ILE A 28 12.159 -2.811 -5.958 1.00 1.27 C ATOM 0 H ILE A 28 11.169 -2.688 -9.414 1.00 0.37 H new ATOM 0 HA ILE A 28 12.950 -4.217 -7.972 1.00 0.36 H new ATOM 0 HB ILE A 28 9.917 -4.349 -8.121 1.00 0.41 H new ATOM 0 HG12 ILE A 28 10.754 -2.173 -7.434 1.00 0.45 H new ATOM 0 HG13 ILE A 28 10.034 -2.989 -6.061 1.00 0.45 H new ATOM 0 HG21 ILE A 28 10.013 -5.448 -5.914 1.00 0.47 H new ATOM 0 HG22 ILE A 28 10.782 -6.436 -7.178 1.00 0.47 H new ATOM 0 HG23 ILE A 28 11.787 -5.518 -6.031 1.00 0.47 H new ATOM 0 HD11 ILE A 28 12.111 -1.864 -5.421 1.00 1.27 H new ATOM 0 HD12 ILE A 28 12.277 -3.627 -5.245 1.00 1.27 H new ATOM 0 HD13 ILE A 28 13.009 -2.799 -6.640 1.00 1.27 H new ATOM 407 N PRO A 29 12.994 -6.636 -8.695 1.00 0.49 N ATOM 408 CA PRO A 29 13.169 -7.994 -9.228 1.00 0.65 C ATOM 409 C PRO A 29 11.878 -8.806 -9.235 1.00 0.73 C ATOM 410 O PRO A 29 11.179 -8.894 -8.225 1.00 0.77 O ATOM 411 CB PRO A 29 14.194 -8.631 -8.277 1.00 0.75 C ATOM 412 CG PRO A 29 14.238 -7.736 -7.084 1.00 0.74 C ATOM 413 CD PRO A 29 13.927 -6.364 -7.596 1.00 0.51 C ATOM 0 HA PRO A 29 13.487 -7.970 -10.270 1.00 0.65 H new ATOM 0 HB2 PRO A 29 13.896 -9.642 -7.999 1.00 0.75 H new ATOM 0 HB3 PRO A 29 15.174 -8.706 -8.748 1.00 0.75 H new ATOM 0 HG2 PRO A 29 13.512 -8.048 -6.333 1.00 0.74 H new ATOM 0 HG3 PRO A 29 15.219 -7.764 -6.609 1.00 0.74 H new ATOM 0 HD2 PRO A 29 13.476 -5.737 -6.827 1.00 0.51 H new ATOM 0 HD3 PRO A 29 14.822 -5.848 -7.943 1.00 0.51 H new ATOM 421 N GLU A 30 11.582 -9.409 -10.388 1.00 0.83 N ATOM 422 CA GLU A 30 10.387 -10.237 -10.555 1.00 0.95 C ATOM 423 C GLU A 30 9.112 -9.431 -10.347 1.00 0.84 C ATOM 424 O GLU A 30 8.015 -9.986 -10.324 1.00 1.18 O ATOM 425 CB GLU A 30 10.421 -11.415 -9.587 1.00 1.17 C ATOM 426 CG GLU A 30 11.734 -12.168 -9.619 1.00 1.47 C ATOM 427 CD GLU A 30 11.659 -13.513 -8.920 1.00 2.16 C ATOM 428 OE1 GLU A 30 10.835 -14.354 -9.338 1.00 2.84 O ATOM 429 OE2 GLU A 30 12.425 -13.725 -7.957 1.00 2.65 O ATOM 0 H GLU A 30 12.159 -9.338 -11.226 1.00 0.83 H new ATOM 0 HA GLU A 30 10.385 -10.610 -11.579 1.00 0.95 H new ATOM 0 HB2 GLU A 30 10.241 -11.052 -8.575 1.00 1.17 H new ATOM 0 HB3 GLU A 30 9.609 -12.101 -9.829 1.00 1.17 H new ATOM 0 HG2 GLU A 30 12.036 -12.319 -10.656 1.00 1.47 H new ATOM 0 HG3 GLU A 30 12.507 -11.561 -9.147 1.00 1.47 H new ATOM 436 N SER A 31 9.266 -8.127 -10.196 1.00 0.60 N ATOM 437 CA SER A 31 8.123 -7.244 -9.984 1.00 0.54 C ATOM 438 C SER A 31 7.922 -6.302 -11.165 1.00 0.47 C ATOM 439 O SER A 31 8.876 -5.693 -11.653 1.00 0.59 O ATOM 440 CB SER A 31 8.306 -6.437 -8.699 1.00 0.57 C ATOM 441 OG SER A 31 8.428 -7.289 -7.574 1.00 1.37 O ATOM 0 H SER A 31 10.169 -7.653 -10.216 1.00 0.60 H new ATOM 0 HA SER A 31 7.234 -7.868 -9.892 1.00 0.54 H new ATOM 0 HB2 SER A 31 9.194 -5.811 -8.783 1.00 0.57 H new ATOM 0 HB3 SER A 31 7.456 -5.768 -8.562 1.00 0.57 H new ATOM 0 HG SER A 31 7.910 -8.107 -7.725 1.00 1.37 H new ATOM 447 N HIS A 32 6.678 -6.188 -11.619 1.00 0.38 N ATOM 448 CA HIS A 32 6.357 -5.318 -12.748 1.00 0.42 C ATOM 449 C HIS A 32 4.931 -4.790 -12.655 1.00 0.39 C ATOM 450 O HIS A 32 3.979 -5.523 -12.900 1.00 0.39 O ATOM 451 CB HIS A 32 6.535 -6.080 -14.059 1.00 0.52 C ATOM 452 CG HIS A 32 6.416 -5.216 -15.276 1.00 1.10 C ATOM 453 ND1 HIS A 32 7.239 -4.139 -15.517 1.00 1.90 N ATOM 454 CD2 HIS A 32 5.560 -5.274 -16.325 1.00 1.90 C ATOM 455 CE1 HIS A 32 6.896 -3.569 -16.658 1.00 2.46 C ATOM 456 NE2 HIS A 32 5.879 -4.239 -17.169 1.00 2.42 N ATOM 0 H HIS A 32 5.878 -6.684 -11.226 1.00 0.38 H new ATOM 0 HA HIS A 32 7.039 -4.468 -12.720 1.00 0.42 H new ATOM 0 HB2 HIS A 32 7.513 -6.561 -14.060 1.00 0.52 H new ATOM 0 HB3 HIS A 32 5.789 -6.873 -14.113 1.00 0.52 H new ATOM 0 HD2 HIS A 32 4.773 -5.999 -16.470 1.00 1.90 H new ATOM 0 HE1 HIS A 32 7.367 -2.703 -17.098 1.00 2.46 H new ATOM 0 HE2 HIS A 32 5.407 -4.023 -18.047 1.00 2.42 H new ATOM 465 N ILE A 33 4.784 -3.517 -12.303 1.00 0.42 N ATOM 466 CA ILE A 33 3.464 -2.908 -12.179 1.00 0.42 C ATOM 467 C ILE A 33 2.668 -3.033 -13.476 1.00 0.41 C ATOM 468 O ILE A 33 3.192 -2.813 -14.568 1.00 0.48 O ATOM 469 CB ILE A 33 3.561 -1.427 -11.766 1.00 0.51 C ATOM 470 CG1 ILE A 33 4.001 -1.332 -10.305 1.00 0.61 C ATOM 471 CG2 ILE A 33 2.227 -0.717 -11.978 1.00 0.79 C ATOM 472 CD1 ILE A 33 4.128 0.087 -9.793 1.00 0.70 C ATOM 0 H ILE A 33 5.561 -2.888 -12.099 1.00 0.42 H new ATOM 0 HA ILE A 33 2.938 -3.452 -11.394 1.00 0.42 H new ATOM 0 HB ILE A 33 4.303 -0.931 -12.393 1.00 0.51 H new ATOM 0 HG12 ILE A 33 3.284 -1.869 -9.684 1.00 0.61 H new ATOM 0 HG13 ILE A 33 4.961 -1.836 -10.191 1.00 0.61 H new ATOM 0 HG21 ILE A 33 2.319 0.327 -11.680 1.00 0.79 H new ATOM 0 HG22 ILE A 33 1.950 -0.771 -13.031 1.00 0.79 H new ATOM 0 HG23 ILE A 33 1.458 -1.200 -11.375 1.00 0.79 H new ATOM 0 HD11 ILE A 33 4.444 0.071 -8.750 1.00 0.70 H new ATOM 0 HD12 ILE A 33 4.867 0.624 -10.388 1.00 0.70 H new ATOM 0 HD13 ILE A 33 3.164 0.590 -9.872 1.00 0.70 H new ATOM 484 N LEU A 34 1.397 -3.399 -13.336 1.00 0.39 N ATOM 485 CA LEU A 34 0.515 -3.570 -14.481 1.00 0.40 C ATOM 486 C LEU A 34 -0.455 -2.394 -14.600 1.00 0.37 C ATOM 487 O LEU A 34 -0.538 -1.754 -15.650 1.00 0.50 O ATOM 488 CB LEU A 34 -0.253 -4.894 -14.347 1.00 0.43 C ATOM 489 CG LEU A 34 -0.936 -5.412 -15.624 1.00 0.66 C ATOM 490 CD1 LEU A 34 -2.077 -4.501 -16.050 1.00 1.42 C ATOM 491 CD2 LEU A 34 0.076 -5.556 -16.751 1.00 1.39 C ATOM 0 H LEU A 34 0.955 -3.583 -12.435 1.00 0.39 H new ATOM 0 HA LEU A 34 1.117 -3.598 -15.389 1.00 0.40 H new ATOM 0 HB2 LEU A 34 0.440 -5.658 -13.994 1.00 0.43 H new ATOM 0 HB3 LEU A 34 -1.014 -4.773 -13.576 1.00 0.43 H new ATOM 0 HG LEU A 34 -1.355 -6.393 -15.402 1.00 0.66 H new ATOM 0 HD11 LEU A 34 -2.539 -4.895 -16.955 1.00 1.42 H new ATOM 0 HD12 LEU A 34 -2.821 -4.453 -15.255 1.00 1.42 H new ATOM 0 HD13 LEU A 34 -1.690 -3.501 -16.246 1.00 1.42 H new ATOM 0 HD21 LEU A 34 -0.426 -5.924 -17.646 1.00 1.39 H new ATOM 0 HD22 LEU A 34 0.528 -4.586 -16.961 1.00 1.39 H new ATOM 0 HD23 LEU A 34 0.852 -6.261 -16.455 1.00 1.39 H new ATOM 503 N THR A 35 -1.190 -2.114 -13.525 1.00 0.30 N ATOM 504 CA THR A 35 -2.152 -1.016 -13.523 1.00 0.33 C ATOM 505 C THR A 35 -1.789 0.035 -12.479 1.00 0.34 C ATOM 506 O THR A 35 -1.067 -0.248 -11.523 1.00 0.44 O ATOM 507 CB THR A 35 -3.564 -1.540 -13.255 1.00 0.39 C ATOM 508 OG1 THR A 35 -3.604 -2.284 -12.050 1.00 0.97 O ATOM 509 CG2 THR A 35 -4.098 -2.422 -14.361 1.00 0.93 C ATOM 0 H THR A 35 -1.137 -2.631 -12.647 1.00 0.30 H new ATOM 0 HA THR A 35 -2.122 -0.550 -14.508 1.00 0.33 H new ATOM 0 HB THR A 35 -4.192 -0.652 -13.190 1.00 0.39 H new ATOM 0 HG1 THR A 35 -3.911 -3.196 -12.238 1.00 0.97 H new ATOM 0 HG21 THR A 35 -5.103 -2.758 -14.105 1.00 0.93 H new ATOM 0 HG22 THR A 35 -4.130 -1.858 -15.293 1.00 0.93 H new ATOM 0 HG23 THR A 35 -3.446 -3.287 -14.483 1.00 0.93 H new ATOM 517 N VAL A 36 -2.299 1.249 -12.672 1.00 0.33 N ATOM 518 CA VAL A 36 -2.037 2.348 -11.751 1.00 0.39 C ATOM 519 C VAL A 36 -3.330 3.085 -11.406 1.00 0.36 C ATOM 520 O VAL A 36 -4.133 3.393 -12.288 1.00 0.38 O ATOM 521 CB VAL A 36 -1.027 3.353 -12.343 1.00 0.51 C ATOM 522 CG1 VAL A 36 -0.719 4.461 -11.345 1.00 1.05 C ATOM 523 CG2 VAL A 36 0.248 2.642 -12.769 1.00 1.21 C ATOM 0 H VAL A 36 -2.897 1.495 -13.461 1.00 0.33 H new ATOM 0 HA VAL A 36 -1.612 1.913 -10.847 1.00 0.39 H new ATOM 0 HB VAL A 36 -1.476 3.808 -13.226 1.00 0.51 H new ATOM 0 HG11 VAL A 36 -0.005 5.158 -11.784 1.00 1.05 H new ATOM 0 HG12 VAL A 36 -1.638 4.992 -11.096 1.00 1.05 H new ATOM 0 HG13 VAL A 36 -0.294 4.028 -10.440 1.00 1.05 H new ATOM 0 HG21 VAL A 36 0.948 3.367 -13.184 1.00 1.21 H new ATOM 0 HG22 VAL A 36 0.700 2.156 -11.904 1.00 1.21 H new ATOM 0 HG23 VAL A 36 0.012 1.893 -13.524 1.00 1.21 H new ATOM 533 N SER A 37 -3.529 3.360 -10.120 1.00 0.35 N ATOM 534 CA SER A 37 -4.727 4.057 -9.662 1.00 0.35 C ATOM 535 C SER A 37 -4.597 5.574 -9.839 1.00 0.40 C ATOM 536 O SER A 37 -4.597 6.069 -10.965 1.00 0.72 O ATOM 537 CB SER A 37 -5.027 3.688 -8.205 1.00 0.36 C ATOM 538 OG SER A 37 -5.540 2.372 -8.114 1.00 1.35 O ATOM 0 H SER A 37 -2.876 3.111 -9.377 1.00 0.35 H new ATOM 0 HA SER A 37 -5.566 3.736 -10.279 1.00 0.35 H new ATOM 0 HB2 SER A 37 -4.118 3.770 -7.610 1.00 0.36 H new ATOM 0 HB3 SER A 37 -5.746 4.393 -7.787 1.00 0.36 H new ATOM 0 HG SER A 37 -6.108 2.296 -7.319 1.00 1.35 H new ATOM 544 N SER A 38 -4.491 6.312 -8.733 1.00 0.43 N ATOM 545 CA SER A 38 -4.368 7.769 -8.790 1.00 0.45 C ATOM 546 C SER A 38 -3.760 8.307 -7.492 1.00 0.47 C ATOM 547 O SER A 38 -2.891 7.667 -6.903 1.00 0.70 O ATOM 548 CB SER A 38 -5.738 8.405 -9.042 1.00 0.50 C ATOM 549 OG SER A 38 -6.303 7.941 -10.256 1.00 1.19 O ATOM 0 H SER A 38 -4.488 5.926 -7.789 1.00 0.43 H new ATOM 0 HA SER A 38 -3.704 8.030 -9.614 1.00 0.45 H new ATOM 0 HB2 SER A 38 -6.408 8.173 -8.214 1.00 0.50 H new ATOM 0 HB3 SER A 38 -5.638 9.490 -9.076 1.00 0.50 H new ATOM 0 HG SER A 38 -5.606 7.520 -10.801 1.00 1.19 H new ATOM 555 N PHE A 39 -4.226 9.472 -7.038 1.00 0.38 N ATOM 556 CA PHE A 39 -3.721 10.058 -5.798 1.00 0.43 C ATOM 557 C PHE A 39 -4.891 10.572 -4.971 1.00 0.40 C ATOM 558 O PHE A 39 -5.622 11.463 -5.403 1.00 0.65 O ATOM 559 CB PHE A 39 -2.733 11.201 -6.068 1.00 0.59 C ATOM 560 CG PHE A 39 -1.821 10.974 -7.245 1.00 1.42 C ATOM 561 CD1 PHE A 39 -2.312 11.051 -8.538 1.00 1.93 C ATOM 562 CD2 PHE A 39 -0.478 10.685 -7.060 1.00 2.21 C ATOM 563 CE1 PHE A 39 -1.481 10.843 -9.624 1.00 2.75 C ATOM 564 CE2 PHE A 39 0.357 10.477 -8.141 1.00 3.01 C ATOM 565 CZ PHE A 39 -0.129 10.557 -9.412 1.00 3.17 C ATOM 0 H PHE A 39 -4.945 10.023 -7.506 1.00 0.38 H new ATOM 0 HA PHE A 39 -3.186 9.282 -5.250 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -3.296 12.120 -6.233 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -2.124 11.356 -5.177 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -3.356 11.276 -8.700 1.00 1.93 H new ATOM 0 HD2 PHE A 39 -0.079 10.622 -6.058 1.00 2.21 H new ATOM 0 HE1 PHE A 39 -1.874 10.901 -10.628 1.00 2.75 H new ATOM 0 HE2 PHE A 39 1.400 10.250 -7.978 1.00 3.01 H new ATOM 0 HZ PHE A 39 0.529 10.400 -10.254 1.00 3.17 H new ATOM 575 N TYR A 40 -5.083 9.988 -3.794 1.00 0.38 N ATOM 576 CA TYR A 40 -6.189 10.376 -2.930 1.00 0.37 C ATOM 577 C TYR A 40 -5.691 10.936 -1.604 1.00 0.40 C ATOM 578 O TYR A 40 -4.709 10.450 -1.042 1.00 0.53 O ATOM 579 CB TYR A 40 -7.095 9.168 -2.661 1.00 0.44 C ATOM 580 CG TYR A 40 -7.416 8.342 -3.892 1.00 0.49 C ATOM 581 CD1 TYR A 40 -6.434 7.590 -4.527 1.00 0.49 C ATOM 582 CD2 TYR A 40 -8.703 8.311 -4.415 1.00 0.59 C ATOM 583 CE1 TYR A 40 -6.723 6.836 -5.648 1.00 0.57 C ATOM 584 CE2 TYR A 40 -8.999 7.556 -5.535 1.00 0.67 C ATOM 585 CZ TYR A 40 -8.006 6.821 -6.147 1.00 0.66 C ATOM 586 OH TYR A 40 -8.299 6.069 -7.264 1.00 0.76 O ATOM 0 H TYR A 40 -4.490 9.248 -3.418 1.00 0.38 H new ATOM 0 HA TYR A 40 -6.752 11.155 -3.444 1.00 0.37 H new ATOM 0 HB2 TYR A 40 -6.615 8.526 -1.922 1.00 0.44 H new ATOM 0 HB3 TYR A 40 -8.028 9.519 -2.220 1.00 0.44 H new ATOM 0 HD1 TYR A 40 -5.427 7.595 -4.137 1.00 0.49 H new ATOM 0 HD2 TYR A 40 -9.484 8.885 -3.939 1.00 0.59 H new ATOM 0 HE1 TYR A 40 -5.946 6.261 -6.130 1.00 0.57 H new ATOM 0 HE2 TYR A 40 -10.004 7.542 -5.929 1.00 0.67 H new ATOM 0 HH TYR A 40 -9.249 6.167 -7.485 1.00 0.76 H new ATOM 596 N ARG A 41 -6.390 11.946 -1.094 1.00 0.43 N ATOM 597 CA ARG A 41 -6.034 12.551 0.182 1.00 0.50 C ATOM 598 C ARG A 41 -6.671 11.731 1.305 1.00 0.54 C ATOM 599 O ARG A 41 -7.879 11.501 1.288 1.00 0.67 O ATOM 600 CB ARG A 41 -6.514 14.005 0.240 1.00 0.66 C ATOM 601 CG ARG A 41 -5.563 14.931 0.985 1.00 0.69 C ATOM 602 CD ARG A 41 -6.142 16.328 1.130 1.00 0.94 C ATOM 603 NE ARG A 41 -5.226 17.228 1.825 1.00 1.56 N ATOM 604 CZ ARG A 41 -5.492 18.508 2.075 1.00 2.07 C ATOM 605 NH1 ARG A 41 -6.649 19.034 1.696 1.00 2.32 N ATOM 606 NH2 ARG A 41 -4.601 19.260 2.706 1.00 2.95 N ATOM 0 H ARG A 41 -7.205 12.361 -1.546 1.00 0.43 H new ATOM 0 HA ARG A 41 -4.950 12.554 0.298 1.00 0.50 H new ATOM 0 HB2 ARG A 41 -6.647 14.376 -0.776 1.00 0.66 H new ATOM 0 HB3 ARG A 41 -7.491 14.037 0.722 1.00 0.66 H new ATOM 0 HG2 ARG A 41 -5.352 14.520 1.972 1.00 0.69 H new ATOM 0 HG3 ARG A 41 -4.613 14.984 0.452 1.00 0.69 H new ATOM 0 HD2 ARG A 41 -6.368 16.731 0.143 1.00 0.94 H new ATOM 0 HD3 ARG A 41 -7.084 16.276 1.676 1.00 0.94 H new ATOM 0 HE ARG A 41 -4.330 16.854 2.137 1.00 1.56 H new ATOM 0 HH11 ARG A 41 -7.337 18.457 1.212 1.00 2.32 H new ATOM 0 HH12 ARG A 41 -6.851 20.015 1.889 1.00 2.32 H new ATOM 0 HH21 ARG A 41 -3.711 18.858 3.000 1.00 2.95 H new ATOM 0 HH22 ARG A 41 -4.805 20.241 2.897 1.00 2.95 H new ATOM 620 N THR A 42 -5.864 11.275 2.264 1.00 0.61 N ATOM 621 CA THR A 42 -6.393 10.447 3.372 1.00 0.73 C ATOM 622 C THR A 42 -5.381 10.306 4.511 1.00 0.84 C ATOM 623 O THR A 42 -4.369 9.621 4.362 1.00 1.10 O ATOM 624 CB THR A 42 -6.777 9.053 2.863 1.00 0.81 C ATOM 625 OG1 THR A 42 -7.821 9.128 1.910 1.00 1.30 O ATOM 626 CG2 THR A 42 -7.228 8.115 3.962 1.00 1.28 C ATOM 0 H THR A 42 -4.861 11.455 2.306 1.00 0.61 H new ATOM 0 HA THR A 42 -7.276 10.956 3.758 1.00 0.73 H new ATOM 0 HB THR A 42 -5.866 8.655 2.416 1.00 0.81 H new ATOM 0 HG1 THR A 42 -8.261 10.001 1.975 1.00 1.30 H new ATOM 0 HG21 THR A 42 -7.484 7.147 3.532 1.00 1.28 H new ATOM 0 HG22 THR A 42 -6.423 7.989 4.686 1.00 1.28 H new ATOM 0 HG23 THR A 42 -8.102 8.533 4.461 1.00 1.28 H new ATOM 634 N PRO A 43 -5.646 10.948 5.668 1.00 0.74 N ATOM 635 CA PRO A 43 -4.756 10.915 6.841 1.00 0.86 C ATOM 636 C PRO A 43 -4.126 9.550 7.103 1.00 0.90 C ATOM 637 O PRO A 43 -4.835 8.571 7.301 1.00 0.94 O ATOM 638 CB PRO A 43 -5.695 11.296 7.980 1.00 0.98 C ATOM 639 CG PRO A 43 -6.674 12.229 7.353 1.00 0.87 C ATOM 640 CD PRO A 43 -6.849 11.765 5.927 1.00 0.71 C ATOM 0 HA PRO A 43 -3.899 11.576 6.711 1.00 0.86 H new ATOM 0 HB2 PRO A 43 -6.191 10.420 8.397 1.00 0.98 H new ATOM 0 HB3 PRO A 43 -5.156 11.775 8.797 1.00 0.98 H new ATOM 0 HG2 PRO A 43 -7.624 12.212 7.887 1.00 0.87 H new ATOM 0 HG3 PRO A 43 -6.309 13.255 7.386 1.00 0.87 H new ATOM 0 HD2 PRO A 43 -7.762 11.181 5.806 1.00 0.71 H new ATOM 0 HD3 PRO A 43 -6.916 12.607 5.238 1.00 0.71 H new ATOM 648 N PRO A 44 -2.772 9.461 7.106 1.00 0.98 N ATOM 649 CA PRO A 44 -2.072 8.193 7.354 1.00 1.12 C ATOM 650 C PRO A 44 -2.289 7.684 8.773 1.00 1.19 C ATOM 651 O PRO A 44 -1.833 6.598 9.130 1.00 2.06 O ATOM 652 CB PRO A 44 -0.594 8.533 7.141 1.00 1.28 C ATOM 653 CG PRO A 44 -0.582 9.838 6.423 1.00 1.18 C ATOM 654 CD PRO A 44 -1.815 10.566 6.863 1.00 1.03 C ATOM 0 HA PRO A 44 -2.436 7.403 6.697 1.00 1.12 H new ATOM 0 HB2 PRO A 44 -0.067 8.604 8.093 1.00 1.28 H new ATOM 0 HB3 PRO A 44 -0.094 7.760 6.557 1.00 1.28 H new ATOM 0 HG2 PRO A 44 0.315 10.408 6.666 1.00 1.18 H new ATOM 0 HG3 PRO A 44 -0.582 9.689 5.343 1.00 1.18 H new ATOM 0 HD2 PRO A 44 -1.639 11.155 7.763 1.00 1.03 H new ATOM 0 HD3 PRO A 44 -2.175 11.253 6.098 1.00 1.03 H new ATOM 662 N LEU A 45 -2.977 8.488 9.577 1.00 0.99 N ATOM 663 CA LEU A 45 -3.256 8.154 10.969 1.00 1.03 C ATOM 664 C LEU A 45 -1.969 7.934 11.751 1.00 1.08 C ATOM 665 O LEU A 45 -1.282 6.928 11.569 1.00 1.32 O ATOM 666 CB LEU A 45 -4.146 6.904 11.098 1.00 1.15 C ATOM 667 CG LEU A 45 -5.530 6.972 10.442 1.00 1.53 C ATOM 668 CD1 LEU A 45 -6.118 8.373 10.527 1.00 1.83 C ATOM 669 CD2 LEU A 45 -5.464 6.491 9.002 1.00 2.21 C ATOM 0 H LEU A 45 -3.356 9.388 9.283 1.00 0.99 H new ATOM 0 HA LEU A 45 -3.793 9.005 11.387 1.00 1.03 H new ATOM 0 HB2 LEU A 45 -3.608 6.058 10.670 1.00 1.15 H new ATOM 0 HB3 LEU A 45 -4.282 6.692 12.158 1.00 1.15 H new ATOM 0 HG LEU A 45 -6.195 6.307 10.993 1.00 1.53 H new ATOM 0 HD11 LEU A 45 -7.099 8.385 10.052 1.00 1.83 H new ATOM 0 HD12 LEU A 45 -6.217 8.663 11.573 1.00 1.83 H new ATOM 0 HD13 LEU A 45 -5.459 9.076 10.017 1.00 1.83 H new ATOM 0 HD21 LEU A 45 -6.456 6.547 8.554 1.00 2.21 H new ATOM 0 HD22 LEU A 45 -4.776 7.121 8.439 1.00 2.21 H new ATOM 0 HD23 LEU A 45 -5.113 5.459 8.979 1.00 2.21 H new ATOM 681 N GLY A 46 -1.652 8.873 12.633 1.00 1.09 N ATOM 682 CA GLY A 46 -0.455 8.749 13.435 1.00 1.18 C ATOM 683 C GLY A 46 0.313 10.050 13.566 1.00 1.11 C ATOM 684 O GLY A 46 -0.283 11.126 13.614 1.00 1.19 O ATOM 0 H GLY A 46 -2.202 9.715 12.806 1.00 1.09 H new ATOM 0 HA2 GLY A 46 -0.726 8.393 14.429 1.00 1.18 H new ATOM 0 HA3 GLY A 46 0.195 7.994 12.992 1.00 1.18 H new ATOM 688 N PRO A 47 1.649 9.970 13.650 1.00 1.12 N ATOM 689 CA PRO A 47 2.512 11.139 13.804 1.00 1.16 C ATOM 690 C PRO A 47 2.945 11.780 12.480 1.00 1.14 C ATOM 691 O PRO A 47 2.126 11.971 11.580 1.00 1.99 O ATOM 692 CB PRO A 47 3.707 10.539 14.528 1.00 1.36 C ATOM 693 CG PRO A 47 3.827 9.162 13.978 1.00 1.39 C ATOM 694 CD PRO A 47 2.429 8.718 13.635 1.00 1.26 C ATOM 0 HA PRO A 47 2.010 11.956 14.322 1.00 1.16 H new ATOM 0 HB2 PRO A 47 4.612 11.119 14.347 1.00 1.36 H new ATOM 0 HB3 PRO A 47 3.550 10.523 15.606 1.00 1.36 H new ATOM 0 HG2 PRO A 47 4.466 9.151 13.095 1.00 1.39 H new ATOM 0 HG3 PRO A 47 4.280 8.490 14.707 1.00 1.39 H new ATOM 0 HD2 PRO A 47 2.391 8.235 12.659 1.00 1.26 H new ATOM 0 HD3 PRO A 47 2.048 8.000 14.361 1.00 1.26 H new ATOM 702 N GLN A 48 4.243 12.133 12.394 1.00 0.95 N ATOM 703 CA GLN A 48 4.859 12.784 11.223 1.00 0.84 C ATOM 704 C GLN A 48 4.072 13.999 10.734 1.00 0.90 C ATOM 705 O GLN A 48 4.430 14.628 9.737 1.00 1.04 O ATOM 706 CB GLN A 48 5.122 11.790 10.092 1.00 0.83 C ATOM 707 CG GLN A 48 3.958 10.892 9.752 1.00 1.00 C ATOM 708 CD GLN A 48 2.890 11.571 8.931 1.00 1.29 C ATOM 709 OE1 GLN A 48 3.166 12.487 8.158 1.00 2.23 O ATOM 710 NE2 GLN A 48 1.669 11.075 9.058 1.00 1.15 N ATOM 0 H GLN A 48 4.905 11.970 13.153 1.00 0.95 H new ATOM 0 HA GLN A 48 5.825 13.160 11.560 1.00 0.84 H new ATOM 0 HB2 GLN A 48 5.407 12.346 9.198 1.00 0.83 H new ATOM 0 HB3 GLN A 48 5.974 11.168 10.365 1.00 0.83 H new ATOM 0 HG2 GLN A 48 4.327 10.024 9.206 1.00 1.00 H new ATOM 0 HG3 GLN A 48 3.514 10.522 10.676 1.00 1.00 H new ATOM 0 HE21 GLN A 48 1.493 10.314 9.714 1.00 1.15 H new ATOM 0 HE22 GLN A 48 0.904 11.454 8.499 1.00 1.15 H new ATOM 719 N ASP A 49 3.028 14.327 11.477 1.00 0.99 N ATOM 720 CA ASP A 49 2.170 15.491 11.206 1.00 1.16 C ATOM 721 C ASP A 49 1.167 15.230 10.090 1.00 1.20 C ATOM 722 O ASP A 49 0.181 15.959 9.956 1.00 1.33 O ATOM 723 CB ASP A 49 3.015 16.726 10.872 1.00 1.28 C ATOM 724 CG ASP A 49 2.166 17.957 10.624 1.00 1.51 C ATOM 725 OD1 ASP A 49 1.427 18.365 11.544 1.00 1.81 O ATOM 726 OD2 ASP A 49 2.241 18.513 9.508 1.00 1.70 O ATOM 0 H ASP A 49 2.741 13.793 12.297 1.00 0.99 H new ATOM 0 HA ASP A 49 1.604 15.678 12.118 1.00 1.16 H new ATOM 0 HB2 ASP A 49 3.705 16.923 11.692 1.00 1.28 H new ATOM 0 HB3 ASP A 49 3.620 16.521 9.989 1.00 1.28 H new ATOM 731 N GLN A 50 1.408 14.191 9.302 1.00 1.19 N ATOM 732 CA GLN A 50 0.512 13.838 8.207 1.00 1.31 C ATOM 733 C GLN A 50 0.158 15.077 7.380 1.00 1.33 C ATOM 734 O GLN A 50 -0.981 15.546 7.395 1.00 1.40 O ATOM 735 CB GLN A 50 -0.745 13.166 8.759 1.00 1.42 C ATOM 736 CG GLN A 50 -0.606 12.737 10.217 1.00 1.67 C ATOM 737 CD GLN A 50 -1.084 11.323 10.495 1.00 1.43 C ATOM 738 OE1 GLN A 50 -2.277 11.029 10.426 1.00 2.03 O ATOM 739 NE2 GLN A 50 -0.137 10.436 10.793 1.00 1.24 N ATOM 0 H GLN A 50 2.217 13.577 9.400 1.00 1.19 H new ATOM 0 HA GLN A 50 1.018 13.133 7.548 1.00 1.31 H new ATOM 0 HB2 GLN A 50 -1.586 13.853 8.668 1.00 1.42 H new ATOM 0 HB3 GLN A 50 -0.979 12.292 8.151 1.00 1.42 H new ATOM 0 HG2 GLN A 50 0.440 12.820 10.511 1.00 1.67 H new ATOM 0 HG3 GLN A 50 -1.169 13.429 10.843 1.00 1.67 H new ATOM 0 HE21 GLN A 50 0.839 10.728 10.838 1.00 1.24 H new ATOM 0 HE22 GLN A 50 -0.388 9.464 10.976 1.00 1.24 H new ATOM 748 N PRO A 51 1.159 15.626 6.669 1.00 1.35 N ATOM 749 CA PRO A 51 1.010 16.833 5.839 1.00 1.46 C ATOM 750 C PRO A 51 -0.287 16.900 5.030 1.00 1.54 C ATOM 751 O PRO A 51 -1.152 17.731 5.310 1.00 2.26 O ATOM 752 CB PRO A 51 2.217 16.735 4.913 1.00 1.52 C ATOM 753 CG PRO A 51 3.267 16.117 5.765 1.00 1.53 C ATOM 754 CD PRO A 51 2.551 15.122 6.639 1.00 1.37 C ATOM 0 HA PRO A 51 0.961 17.733 6.452 1.00 1.46 H new ATOM 0 HB2 PRO A 51 2.001 16.123 4.037 1.00 1.52 H new ATOM 0 HB3 PRO A 51 2.523 17.716 4.549 1.00 1.52 H new ATOM 0 HG2 PRO A 51 4.027 15.627 5.156 1.00 1.53 H new ATOM 0 HG3 PRO A 51 3.777 16.870 6.366 1.00 1.53 H new ATOM 0 HD2 PRO A 51 2.604 14.114 6.227 1.00 1.37 H new ATOM 0 HD3 PRO A 51 2.984 15.081 7.638 1.00 1.37 H new ATOM 762 N ASP A 52 -0.420 16.042 4.019 1.00 1.24 N ATOM 763 CA ASP A 52 -1.618 16.046 3.177 1.00 1.23 C ATOM 764 C ASP A 52 -2.088 14.647 2.861 1.00 0.91 C ATOM 765 O ASP A 52 -2.997 14.477 2.058 1.00 1.55 O ATOM 766 CB ASP A 52 -1.375 16.739 1.853 1.00 1.67 C ATOM 767 CG ASP A 52 -0.663 18.068 1.998 1.00 2.16 C ATOM 768 OD1 ASP A 52 -1.212 18.966 2.670 1.00 2.69 O ATOM 769 OD2 ASP A 52 0.447 18.211 1.441 1.00 2.56 O ATOM 0 H ASP A 52 0.277 15.343 3.764 1.00 1.24 H new ATOM 0 HA ASP A 52 -2.373 16.580 3.753 1.00 1.23 H new ATOM 0 HB2 ASP A 52 -0.784 16.086 1.211 1.00 1.67 H new ATOM 0 HB3 ASP A 52 -2.330 16.898 1.353 1.00 1.67 H new ATOM 774 N TYR A 53 -1.495 13.658 3.507 1.00 0.76 N ATOM 775 CA TYR A 53 -1.884 12.281 3.311 1.00 1.08 C ATOM 776 C TYR A 53 -2.276 11.941 1.874 1.00 0.87 C ATOM 777 O TYR A 53 -3.414 12.162 1.471 1.00 0.98 O ATOM 778 CB TYR A 53 -3.050 11.979 4.231 1.00 1.83 C ATOM 779 CG TYR A 53 -3.779 13.199 4.765 1.00 2.62 C ATOM 780 CD1 TYR A 53 -3.358 13.835 5.926 1.00 3.32 C ATOM 781 CD2 TYR A 53 -4.882 13.721 4.097 1.00 3.26 C ATOM 782 CE1 TYR A 53 -4.016 14.950 6.408 1.00 4.46 C ATOM 783 CE2 TYR A 53 -5.544 14.836 4.571 1.00 4.34 C ATOM 784 CZ TYR A 53 -5.122 15.423 5.759 1.00 4.90 C ATOM 785 OH TYR A 53 -5.763 16.558 6.206 1.00 6.13 O ATOM 0 H TYR A 53 -0.737 13.790 4.176 1.00 0.76 H new ATOM 0 HA TYR A 53 -1.012 11.668 3.539 1.00 1.08 H new ATOM 0 HB2 TYR A 53 -3.764 11.354 3.695 1.00 1.83 H new ATOM 0 HB3 TYR A 53 -2.685 11.394 5.075 1.00 1.83 H new ATOM 0 HD1 TYR A 53 -2.502 13.451 6.461 1.00 3.32 H new ATOM 0 HD2 TYR A 53 -5.227 13.245 3.191 1.00 3.26 H new ATOM 0 HE1 TYR A 53 -3.657 15.447 7.297 1.00 4.46 H new ATOM 0 HE2 TYR A 53 -6.380 15.248 4.025 1.00 4.34 H new ATOM 0 HH TYR A 53 -6.529 16.751 5.626 1.00 6.13 H new ATOM 795 N LEU A 54 -1.357 11.357 1.117 1.00 0.72 N ATOM 796 CA LEU A 54 -1.670 10.949 -0.243 1.00 0.59 C ATOM 797 C LEU A 54 -1.437 9.454 -0.391 1.00 0.61 C ATOM 798 O LEU A 54 -0.305 9.003 -0.572 1.00 0.88 O ATOM 799 CB LEU A 54 -0.845 11.711 -1.279 1.00 0.60 C ATOM 800 CG LEU A 54 -1.345 11.556 -2.712 1.00 0.54 C ATOM 801 CD1 LEU A 54 -2.706 12.214 -2.870 1.00 0.92 C ATOM 802 CD2 LEU A 54 -0.345 12.139 -3.696 1.00 1.10 C ATOM 0 H LEU A 54 -0.403 11.158 1.417 1.00 0.72 H new ATOM 0 HA LEU A 54 -2.718 11.184 -0.428 1.00 0.59 H new ATOM 0 HB2 LEU A 54 -0.844 12.770 -1.019 1.00 0.60 H new ATOM 0 HB3 LEU A 54 0.189 11.369 -1.227 1.00 0.60 H new ATOM 0 HG LEU A 54 -1.450 10.493 -2.929 1.00 0.54 H new ATOM 0 HD11 LEU A 54 -3.050 12.096 -3.897 1.00 0.92 H new ATOM 0 HD12 LEU A 54 -3.418 11.744 -2.192 1.00 0.92 H new ATOM 0 HD13 LEU A 54 -2.627 13.275 -2.634 1.00 0.92 H new ATOM 0 HD21 LEU A 54 -0.721 12.018 -4.712 1.00 1.10 H new ATOM 0 HD22 LEU A 54 -0.203 13.199 -3.486 1.00 1.10 H new ATOM 0 HD23 LEU A 54 0.608 11.619 -3.598 1.00 1.10 H new ATOM 814 N ASN A 55 -2.516 8.690 -0.302 1.00 0.50 N ATOM 815 CA ASN A 55 -2.436 7.241 -0.412 1.00 0.58 C ATOM 816 C ASN A 55 -2.930 6.778 -1.769 1.00 0.57 C ATOM 817 O ASN A 55 -3.755 7.438 -2.401 1.00 0.70 O ATOM 818 CB ASN A 55 -3.256 6.572 0.692 1.00 0.82 C ATOM 819 CG ASN A 55 -2.800 6.974 2.079 1.00 1.80 C ATOM 820 OD1 ASN A 55 -1.641 6.778 2.447 1.00 2.63 O ATOM 821 ND2 ASN A 55 -3.713 7.536 2.858 1.00 2.49 N ATOM 0 H ASN A 55 -3.459 9.050 -0.154 1.00 0.50 H new ATOM 0 HA ASN A 55 -1.391 6.953 -0.301 1.00 0.58 H new ATOM 0 HB2 ASN A 55 -4.307 6.834 0.569 1.00 0.82 H new ATOM 0 HB3 ASN A 55 -3.183 5.489 0.589 1.00 0.82 H new ATOM 0 HD21 ASN A 55 -3.467 7.826 3.805 1.00 2.49 H new ATOM 0 HD22 ASN A 55 -4.661 7.679 2.511 1.00 2.49 H new ATOM 828 N ALA A 56 -2.419 5.640 -2.214 1.00 0.51 N ATOM 829 CA ALA A 56 -2.809 5.087 -3.505 1.00 0.57 C ATOM 830 C ALA A 56 -2.332 3.653 -3.662 1.00 0.54 C ATOM 831 O ALA A 56 -1.198 3.324 -3.311 1.00 0.75 O ATOM 832 CB ALA A 56 -2.257 5.946 -4.630 1.00 0.61 C ATOM 0 H ALA A 56 -1.735 5.082 -1.703 1.00 0.51 H new ATOM 0 HA ALA A 56 -3.898 5.086 -3.553 1.00 0.57 H new ATOM 0 HB1 ALA A 56 -2.554 5.524 -5.590 1.00 0.61 H new ATOM 0 HB2 ALA A 56 -2.651 6.959 -4.541 1.00 0.61 H new ATOM 0 HB3 ALA A 56 -1.169 5.973 -4.567 1.00 0.61 H new ATOM 838 N ALA A 57 -3.199 2.801 -4.198 1.00 0.31 N ATOM 839 CA ALA A 57 -2.856 1.405 -4.407 1.00 0.29 C ATOM 840 C ALA A 57 -2.303 1.192 -5.809 1.00 0.29 C ATOM 841 O ALA A 57 -2.357 2.094 -6.647 1.00 0.39 O ATOM 842 CB ALA A 57 -4.077 0.535 -4.181 1.00 0.33 C ATOM 0 H ALA A 57 -4.142 3.055 -4.494 1.00 0.31 H new ATOM 0 HA ALA A 57 -2.084 1.123 -3.691 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -3.813 -0.511 -4.339 1.00 0.33 H new ATOM 0 HB2 ALA A 57 -4.435 0.668 -3.160 1.00 0.33 H new ATOM 0 HB3 ALA A 57 -4.862 0.821 -4.881 1.00 0.33 H new ATOM 848 N VAL A 58 -1.782 -0.004 -6.069 1.00 0.26 N ATOM 849 CA VAL A 58 -1.232 -0.313 -7.382 1.00 0.27 C ATOM 850 C VAL A 58 -0.989 -1.806 -7.559 1.00 0.27 C ATOM 851 O VAL A 58 -0.252 -2.423 -6.791 1.00 0.28 O ATOM 852 CB VAL A 58 0.072 0.459 -7.636 1.00 0.31 C ATOM 853 CG1 VAL A 58 1.087 0.189 -6.537 1.00 1.20 C ATOM 854 CG2 VAL A 58 0.644 0.119 -9.003 1.00 0.98 C ATOM 0 H VAL A 58 -1.730 -0.767 -5.394 1.00 0.26 H new ATOM 0 HA VAL A 58 -1.976 0.001 -8.114 1.00 0.27 H new ATOM 0 HB VAL A 58 -0.158 1.524 -7.623 1.00 0.31 H new ATOM 0 HG11 VAL A 58 2.001 0.747 -6.741 1.00 1.20 H new ATOM 0 HG12 VAL A 58 0.676 0.503 -5.577 1.00 1.20 H new ATOM 0 HG13 VAL A 58 1.313 -0.877 -6.504 1.00 1.20 H new ATOM 0 HG21 VAL A 58 1.567 0.677 -9.160 1.00 0.98 H new ATOM 0 HG22 VAL A 58 0.853 -0.950 -9.054 1.00 0.98 H new ATOM 0 HG23 VAL A 58 -0.077 0.385 -9.776 1.00 0.98 H new ATOM 864 N ALA A 59 -1.626 -2.381 -8.575 1.00 0.28 N ATOM 865 CA ALA A 59 -1.487 -3.805 -8.850 1.00 0.29 C ATOM 866 C ALA A 59 -0.149 -4.104 -9.514 1.00 0.31 C ATOM 867 O ALA A 59 0.036 -3.874 -10.709 1.00 0.50 O ATOM 868 CB ALA A 59 -2.628 -4.279 -9.732 1.00 0.31 C ATOM 0 H ALA A 59 -2.241 -1.884 -9.219 1.00 0.28 H new ATOM 0 HA ALA A 59 -1.523 -4.342 -7.902 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -2.515 -5.345 -9.932 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -3.577 -4.104 -9.225 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -2.613 -3.730 -10.673 1.00 0.31 H new ATOM 874 N LEU A 60 0.781 -4.621 -8.718 1.00 0.28 N ATOM 875 CA LEU A 60 2.115 -4.965 -9.196 1.00 0.28 C ATOM 876 C LEU A 60 2.162 -6.394 -9.707 1.00 0.30 C ATOM 877 O LEU A 60 2.034 -7.344 -8.933 1.00 0.33 O ATOM 878 CB LEU A 60 3.139 -4.795 -8.070 1.00 0.29 C ATOM 879 CG LEU A 60 4.565 -5.263 -8.391 1.00 0.29 C ATOM 880 CD1 LEU A 60 5.208 -4.360 -9.430 1.00 0.35 C ATOM 881 CD2 LEU A 60 5.407 -5.299 -7.124 1.00 0.31 C ATOM 0 H LEU A 60 0.632 -4.813 -7.727 1.00 0.28 H new ATOM 0 HA LEU A 60 2.359 -4.292 -10.018 1.00 0.28 H new ATOM 0 HB2 LEU A 60 3.176 -3.741 -7.793 1.00 0.29 H new ATOM 0 HB3 LEU A 60 2.785 -5.342 -7.196 1.00 0.29 H new ATOM 0 HG LEU A 60 4.510 -6.271 -8.803 1.00 0.29 H new ATOM 0 HD11 LEU A 60 6.218 -4.711 -9.642 1.00 0.35 H new ATOM 0 HD12 LEU A 60 4.617 -4.381 -10.346 1.00 0.35 H new ATOM 0 HD13 LEU A 60 5.251 -3.340 -9.049 1.00 0.35 H new ATOM 0 HD21 LEU A 60 6.416 -5.633 -7.367 1.00 0.31 H new ATOM 0 HD22 LEU A 60 5.450 -4.301 -6.687 1.00 0.31 H new ATOM 0 HD23 LEU A 60 4.959 -5.989 -6.409 1.00 0.31 H new ATOM 893 N GLU A 61 2.374 -6.548 -11.006 1.00 0.32 N ATOM 894 CA GLU A 61 2.468 -7.870 -11.599 1.00 0.36 C ATOM 895 C GLU A 61 3.824 -8.451 -11.234 1.00 0.34 C ATOM 896 O GLU A 61 4.816 -8.218 -11.926 1.00 0.36 O ATOM 897 CB GLU A 61 2.316 -7.777 -13.117 1.00 0.43 C ATOM 898 CG GLU A 61 1.937 -9.086 -13.796 1.00 0.52 C ATOM 899 CD GLU A 61 3.022 -10.146 -13.722 1.00 1.37 C ATOM 900 OE1 GLU A 61 3.267 -10.675 -12.620 1.00 2.11 O ATOM 901 OE2 GLU A 61 3.627 -10.444 -14.774 1.00 1.88 O ATOM 0 H GLU A 61 2.483 -5.777 -11.665 1.00 0.32 H new ATOM 0 HA GLU A 61 1.673 -8.513 -11.223 1.00 0.36 H new ATOM 0 HB2 GLU A 61 1.557 -7.030 -13.348 1.00 0.43 H new ATOM 0 HB3 GLU A 61 3.254 -7.420 -13.542 1.00 0.43 H new ATOM 0 HG2 GLU A 61 1.029 -9.475 -13.335 1.00 0.52 H new ATOM 0 HG3 GLU A 61 1.704 -8.889 -14.842 1.00 0.52 H new ATOM 908 N THR A 62 3.868 -9.177 -10.125 1.00 0.34 N ATOM 909 CA THR A 62 5.117 -9.750 -9.655 1.00 0.35 C ATOM 910 C THR A 62 4.962 -11.193 -9.203 1.00 0.39 C ATOM 911 O THR A 62 3.885 -11.625 -8.795 1.00 0.61 O ATOM 912 CB THR A 62 5.663 -8.914 -8.496 1.00 0.40 C ATOM 913 OG1 THR A 62 6.873 -9.465 -8.004 1.00 0.43 O ATOM 914 CG2 THR A 62 4.704 -8.808 -7.330 1.00 0.52 C ATOM 0 H THR A 62 3.058 -9.381 -9.539 1.00 0.34 H new ATOM 0 HA THR A 62 5.812 -9.740 -10.495 1.00 0.35 H new ATOM 0 HB THR A 62 5.821 -7.918 -8.910 1.00 0.40 H new ATOM 0 HG1 THR A 62 7.401 -9.814 -8.752 1.00 0.43 H new ATOM 0 HG21 THR A 62 5.153 -8.202 -6.543 1.00 0.52 H new ATOM 0 HG22 THR A 62 3.777 -8.341 -7.663 1.00 0.52 H new ATOM 0 HG23 THR A 62 4.490 -9.804 -6.943 1.00 0.52 H new ATOM 922 N SER A 63 6.068 -11.917 -9.256 1.00 0.37 N ATOM 923 CA SER A 63 6.111 -13.304 -8.828 1.00 0.48 C ATOM 924 C SER A 63 7.152 -13.444 -7.732 1.00 0.42 C ATOM 925 O SER A 63 7.458 -14.545 -7.275 1.00 0.45 O ATOM 926 CB SER A 63 6.447 -14.223 -10.005 1.00 0.69 C ATOM 927 OG SER A 63 5.480 -14.105 -11.035 1.00 1.22 O ATOM 0 H SER A 63 6.960 -11.559 -9.597 1.00 0.37 H new ATOM 0 HA SER A 63 5.133 -13.597 -8.446 1.00 0.48 H new ATOM 0 HB2 SER A 63 7.433 -13.972 -10.397 1.00 0.69 H new ATOM 0 HB3 SER A 63 6.494 -15.257 -9.662 1.00 0.69 H new ATOM 0 HG SER A 63 5.717 -14.700 -11.776 1.00 1.22 H new ATOM 933 N LEU A 64 7.690 -12.298 -7.316 1.00 0.37 N ATOM 934 CA LEU A 64 8.702 -12.254 -6.270 1.00 0.35 C ATOM 935 C LEU A 64 8.131 -12.811 -4.965 1.00 0.50 C ATOM 936 O LEU A 64 6.949 -12.629 -4.677 1.00 0.82 O ATOM 937 CB LEU A 64 9.170 -10.804 -6.081 1.00 0.49 C ATOM 938 CG LEU A 64 10.504 -10.609 -5.348 1.00 0.48 C ATOM 939 CD1 LEU A 64 10.357 -10.906 -3.868 1.00 0.90 C ATOM 940 CD2 LEU A 64 11.588 -11.481 -5.966 1.00 0.84 C ATOM 0 H LEU A 64 7.437 -11.384 -7.692 1.00 0.37 H new ATOM 0 HA LEU A 64 9.555 -12.868 -6.558 1.00 0.35 H new ATOM 0 HB2 LEU A 64 9.249 -10.339 -7.064 1.00 0.49 H new ATOM 0 HB3 LEU A 64 8.397 -10.264 -5.534 1.00 0.49 H new ATOM 0 HG LEU A 64 10.800 -9.565 -5.455 1.00 0.48 H new ATOM 0 HD11 LEU A 64 11.316 -10.761 -3.371 1.00 0.90 H new ATOM 0 HD12 LEU A 64 9.617 -10.233 -3.434 1.00 0.90 H new ATOM 0 HD13 LEU A 64 10.032 -11.938 -3.734 1.00 0.90 H new ATOM 0 HD21 LEU A 64 12.526 -11.328 -5.432 1.00 0.84 H new ATOM 0 HD22 LEU A 64 11.296 -12.529 -5.895 1.00 0.84 H new ATOM 0 HD23 LEU A 64 11.719 -11.211 -7.014 1.00 0.84 H new ATOM 952 N ALA A 65 8.973 -13.488 -4.185 1.00 0.58 N ATOM 953 CA ALA A 65 8.544 -14.067 -2.918 1.00 0.89 C ATOM 954 C ALA A 65 7.767 -13.046 -2.094 1.00 0.60 C ATOM 955 O ALA A 65 8.189 -11.904 -1.959 1.00 0.59 O ATOM 956 CB ALA A 65 9.746 -14.576 -2.137 1.00 1.41 C ATOM 0 H ALA A 65 9.955 -13.647 -4.410 1.00 0.58 H new ATOM 0 HA ALA A 65 7.884 -14.908 -3.130 1.00 0.89 H new ATOM 0 HB1 ALA A 65 9.411 -15.006 -1.193 1.00 1.41 H new ATOM 0 HB2 ALA A 65 10.262 -15.339 -2.720 1.00 1.41 H new ATOM 0 HB3 ALA A 65 10.427 -13.749 -1.938 1.00 1.41 H new ATOM 962 N PRO A 66 6.615 -13.445 -1.538 1.00 0.50 N ATOM 963 CA PRO A 66 5.771 -12.557 -0.728 1.00 0.40 C ATOM 964 C PRO A 66 6.508 -11.952 0.456 1.00 0.41 C ATOM 965 O PRO A 66 6.109 -10.914 0.982 1.00 0.62 O ATOM 966 CB PRO A 66 4.656 -13.482 -0.222 1.00 0.47 C ATOM 967 CG PRO A 66 5.166 -14.865 -0.433 1.00 0.75 C ATOM 968 CD PRO A 66 6.030 -14.788 -1.655 1.00 0.64 C ATOM 0 HA PRO A 66 5.421 -11.707 -1.313 1.00 0.40 H new ATOM 0 HB2 PRO A 66 4.440 -13.299 0.831 1.00 0.47 H new ATOM 0 HB3 PRO A 66 3.729 -13.317 -0.771 1.00 0.47 H new ATOM 0 HG2 PRO A 66 5.736 -15.210 0.430 1.00 0.75 H new ATOM 0 HG3 PRO A 66 4.346 -15.569 -0.575 1.00 0.75 H new ATOM 0 HD2 PRO A 66 6.794 -15.565 -1.663 1.00 0.64 H new ATOM 0 HD3 PRO A 66 5.450 -14.901 -2.571 1.00 0.64 H new ATOM 976 N GLU A 67 7.579 -12.609 0.876 1.00 0.40 N ATOM 977 CA GLU A 67 8.365 -12.145 2.010 1.00 0.44 C ATOM 978 C GLU A 67 9.410 -11.137 1.581 1.00 0.37 C ATOM 979 O GLU A 67 9.699 -10.181 2.301 1.00 0.40 O ATOM 980 CB GLU A 67 9.019 -13.334 2.719 1.00 0.57 C ATOM 981 CG GLU A 67 9.407 -14.456 1.773 1.00 0.65 C ATOM 982 CD GLU A 67 10.177 -15.566 2.462 1.00 0.80 C ATOM 983 OE1 GLU A 67 11.258 -15.281 3.021 1.00 1.28 O ATOM 984 OE2 GLU A 67 9.699 -16.719 2.444 1.00 1.19 O ATOM 0 H GLU A 67 7.925 -13.468 0.447 1.00 0.40 H new ATOM 0 HA GLU A 67 7.693 -11.645 2.707 1.00 0.44 H new ATOM 0 HB2 GLU A 67 9.908 -12.989 3.247 1.00 0.57 H new ATOM 0 HB3 GLU A 67 8.332 -13.723 3.471 1.00 0.57 H new ATOM 0 HG2 GLU A 67 8.506 -14.871 1.321 1.00 0.65 H new ATOM 0 HG3 GLU A 67 10.012 -14.049 0.963 1.00 0.65 H new ATOM 991 N GLU A 68 9.967 -11.345 0.403 1.00 0.34 N ATOM 992 CA GLU A 68 10.969 -10.435 -0.116 1.00 0.31 C ATOM 993 C GLU A 68 10.308 -9.279 -0.857 1.00 0.29 C ATOM 994 O GLU A 68 10.891 -8.206 -0.993 1.00 0.30 O ATOM 995 CB GLU A 68 11.957 -11.168 -1.019 1.00 0.37 C ATOM 996 CG GLU A 68 13.075 -10.276 -1.520 1.00 0.34 C ATOM 997 CD GLU A 68 14.112 -11.034 -2.327 1.00 0.53 C ATOM 998 OE1 GLU A 68 14.740 -11.957 -1.769 1.00 1.21 O ATOM 999 OE2 GLU A 68 14.296 -10.700 -3.516 1.00 1.02 O ATOM 0 H GLU A 68 9.744 -12.130 -0.209 1.00 0.34 H new ATOM 0 HA GLU A 68 11.528 -10.026 0.726 1.00 0.31 H new ATOM 0 HB2 GLU A 68 12.387 -12.007 -0.472 1.00 0.37 H new ATOM 0 HB3 GLU A 68 11.421 -11.584 -1.872 1.00 0.37 H new ATOM 0 HG2 GLU A 68 12.652 -9.481 -2.135 1.00 0.34 H new ATOM 0 HG3 GLU A 68 13.561 -9.797 -0.670 1.00 0.34 H new ATOM 1006 N LEU A 69 9.079 -9.501 -1.321 1.00 0.32 N ATOM 1007 CA LEU A 69 8.331 -8.470 -2.032 1.00 0.36 C ATOM 1008 C LEU A 69 8.069 -7.295 -1.109 1.00 0.35 C ATOM 1009 O LEU A 69 8.547 -6.189 -1.356 1.00 0.41 O ATOM 1010 CB LEU A 69 7.016 -9.028 -2.573 1.00 0.42 C ATOM 1011 CG LEU A 69 6.070 -7.995 -3.190 1.00 0.54 C ATOM 1012 CD1 LEU A 69 6.711 -7.336 -4.401 1.00 1.08 C ATOM 1013 CD2 LEU A 69 4.749 -8.646 -3.569 1.00 1.51 C ATOM 0 H LEU A 69 8.582 -10.386 -1.216 1.00 0.32 H new ATOM 0 HA LEU A 69 8.926 -8.130 -2.880 1.00 0.36 H new ATOM 0 HB2 LEU A 69 7.243 -9.783 -3.326 1.00 0.42 H new ATOM 0 HB3 LEU A 69 6.494 -9.534 -1.761 1.00 0.42 H new ATOM 0 HG LEU A 69 5.873 -7.222 -2.448 1.00 0.54 H new ATOM 0 HD11 LEU A 69 6.022 -6.605 -4.825 1.00 1.08 H new ATOM 0 HD12 LEU A 69 7.631 -6.835 -4.098 1.00 1.08 H new ATOM 0 HD13 LEU A 69 6.940 -8.095 -5.149 1.00 1.08 H new ATOM 0 HD21 LEU A 69 4.087 -7.898 -4.006 1.00 1.51 H new ATOM 0 HD22 LEU A 69 4.929 -9.440 -4.294 1.00 1.51 H new ATOM 0 HD23 LEU A 69 4.282 -9.067 -2.679 1.00 1.51 H new ATOM 1025 N LEU A 70 7.335 -7.540 -0.024 1.00 0.33 N ATOM 1026 CA LEU A 70 7.068 -6.485 0.943 1.00 0.39 C ATOM 1027 C LEU A 70 8.397 -5.909 1.397 1.00 0.42 C ATOM 1028 O LEU A 70 8.573 -4.697 1.491 1.00 0.61 O ATOM 1029 CB LEU A 70 6.282 -7.025 2.144 1.00 0.44 C ATOM 1030 CG LEU A 70 6.072 -6.032 3.294 1.00 0.58 C ATOM 1031 CD1 LEU A 70 4.849 -6.414 4.106 1.00 1.16 C ATOM 1032 CD2 LEU A 70 7.298 -5.984 4.198 1.00 1.01 C ATOM 0 H LEU A 70 6.922 -8.445 0.202 1.00 0.33 H new ATOM 0 HA LEU A 70 6.460 -5.709 0.478 1.00 0.39 H new ATOM 0 HB2 LEU A 70 5.306 -7.363 1.796 1.00 0.44 H new ATOM 0 HB3 LEU A 70 6.802 -7.900 2.533 1.00 0.44 H new ATOM 0 HG LEU A 70 5.918 -5.043 2.862 1.00 0.58 H new ATOM 0 HD11 LEU A 70 4.714 -5.700 4.918 1.00 1.16 H new ATOM 0 HD12 LEU A 70 3.968 -6.404 3.464 1.00 1.16 H new ATOM 0 HD13 LEU A 70 4.985 -7.413 4.520 1.00 1.16 H new ATOM 0 HD21 LEU A 70 7.126 -5.273 5.006 1.00 1.01 H new ATOM 0 HD22 LEU A 70 7.480 -6.974 4.617 1.00 1.01 H new ATOM 0 HD23 LEU A 70 8.166 -5.671 3.618 1.00 1.01 H new ATOM 1044 N ASN A 71 9.340 -6.802 1.658 1.00 0.31 N ATOM 1045 CA ASN A 71 10.673 -6.400 2.081 1.00 0.35 C ATOM 1046 C ASN A 71 11.320 -5.522 1.013 1.00 0.38 C ATOM 1047 O ASN A 71 12.135 -4.653 1.324 1.00 0.45 O ATOM 1048 CB ASN A 71 11.546 -7.623 2.363 1.00 0.36 C ATOM 1049 CG ASN A 71 12.918 -7.236 2.881 1.00 1.06 C ATOM 1050 OD1 ASN A 71 13.729 -6.657 2.157 1.00 1.87 O ATOM 1051 ND2 ASN A 71 13.179 -7.542 4.144 1.00 1.53 N ATOM 0 H ASN A 71 9.207 -7.811 1.584 1.00 0.31 H new ATOM 0 HA ASN A 71 10.583 -5.826 3.004 1.00 0.35 H new ATOM 0 HB2 ASN A 71 11.050 -8.262 3.094 1.00 0.36 H new ATOM 0 HB3 ASN A 71 11.655 -8.208 1.450 1.00 0.36 H new ATOM 0 HD21 ASN A 71 14.081 -7.297 4.552 1.00 1.53 H new ATOM 0 HD22 ASN A 71 12.478 -8.022 4.708 1.00 1.53 H new ATOM 1058 N HIS A 72 10.933 -5.735 -0.246 1.00 0.35 N ATOM 1059 CA HIS A 72 11.458 -4.936 -1.347 1.00 0.42 C ATOM 1060 C HIS A 72 10.836 -3.556 -1.308 1.00 0.41 C ATOM 1061 O HIS A 72 11.540 -2.550 -1.375 1.00 0.43 O ATOM 1062 CB HIS A 72 11.187 -5.592 -2.703 1.00 0.51 C ATOM 1063 CG HIS A 72 12.281 -6.503 -3.164 1.00 1.07 C ATOM 1064 ND1 HIS A 72 13.608 -6.126 -3.191 1.00 2.09 N ATOM 1065 CD2 HIS A 72 12.241 -7.768 -3.643 1.00 1.39 C ATOM 1066 CE1 HIS A 72 14.335 -7.119 -3.668 1.00 2.99 C ATOM 1067 NE2 HIS A 72 13.530 -8.128 -3.950 1.00 2.56 N ATOM 0 H HIS A 72 10.262 -6.451 -0.524 1.00 0.35 H new ATOM 0 HA HIS A 72 12.539 -4.862 -1.227 1.00 0.42 H new ATOM 0 HB2 HIS A 72 10.257 -6.158 -2.643 1.00 0.51 H new ATOM 0 HB3 HIS A 72 11.038 -4.812 -3.450 1.00 0.51 H new ATOM 0 HD2 HIS A 72 11.359 -8.380 -3.762 1.00 1.39 H new ATOM 0 HE1 HIS A 72 15.406 -7.109 -3.805 1.00 2.99 H new ATOM 0 HE2 HIS A 72 13.819 -9.028 -4.333 1.00 2.56 H new ATOM 1076 N THR A 73 9.511 -3.514 -1.178 1.00 0.45 N ATOM 1077 CA THR A 73 8.803 -2.245 -1.101 1.00 0.49 C ATOM 1078 C THR A 73 9.426 -1.391 -0.003 1.00 0.46 C ATOM 1079 O THR A 73 9.447 -0.162 -0.085 1.00 0.47 O ATOM 1080 CB THR A 73 7.315 -2.472 -0.825 1.00 0.58 C ATOM 1081 OG1 THR A 73 7.118 -3.059 0.445 1.00 0.62 O ATOM 1082 CG2 THR A 73 6.651 -3.368 -1.848 1.00 0.66 C ATOM 0 H THR A 73 8.913 -4.339 -1.124 1.00 0.45 H new ATOM 0 HA THR A 73 8.890 -1.727 -2.056 1.00 0.49 H new ATOM 0 HB THR A 73 6.861 -1.482 -0.874 1.00 0.58 H new ATOM 0 HG1 THR A 73 7.936 -3.522 0.722 1.00 0.62 H new ATOM 0 HG21 THR A 73 5.598 -3.490 -1.596 1.00 0.66 H new ATOM 0 HG22 THR A 73 6.738 -2.918 -2.837 1.00 0.66 H new ATOM 0 HG23 THR A 73 7.139 -4.343 -1.849 1.00 0.66 H new ATOM 1090 N GLN A 74 9.967 -2.066 1.012 1.00 0.49 N ATOM 1091 CA GLN A 74 10.631 -1.393 2.122 1.00 0.49 C ATOM 1092 C GLN A 74 11.859 -0.645 1.614 1.00 0.43 C ATOM 1093 O GLN A 74 12.157 0.465 2.057 1.00 0.45 O ATOM 1094 CB GLN A 74 11.063 -2.410 3.183 1.00 0.60 C ATOM 1095 CG GLN A 74 9.909 -3.157 3.831 1.00 0.65 C ATOM 1096 CD GLN A 74 8.923 -2.227 4.512 1.00 0.87 C ATOM 1097 OE1 GLN A 74 9.277 -1.503 5.443 1.00 1.66 O ATOM 1098 NE2 GLN A 74 7.680 -2.242 4.050 1.00 1.05 N ATOM 0 H GLN A 74 9.956 -3.083 1.085 1.00 0.49 H new ATOM 0 HA GLN A 74 9.929 -0.688 2.568 1.00 0.49 H new ATOM 0 HB2 GLN A 74 11.738 -3.133 2.725 1.00 0.60 H new ATOM 0 HB3 GLN A 74 11.628 -1.893 3.958 1.00 0.60 H new ATOM 0 HG2 GLN A 74 9.388 -3.742 3.073 1.00 0.65 H new ATOM 0 HG3 GLN A 74 10.303 -3.863 4.563 1.00 0.65 H new ATOM 0 HE21 GLN A 74 7.431 -2.858 3.276 1.00 1.05 H new ATOM 0 HE22 GLN A 74 6.973 -1.637 4.468 1.00 1.05 H new ATOM 1107 N ARG A 75 12.573 -1.276 0.688 1.00 0.44 N ATOM 1108 CA ARG A 75 13.782 -0.702 0.111 1.00 0.46 C ATOM 1109 C ARG A 75 13.484 0.569 -0.681 1.00 0.43 C ATOM 1110 O ARG A 75 14.346 1.436 -0.802 1.00 0.52 O ATOM 1111 CB ARG A 75 14.482 -1.734 -0.782 1.00 0.59 C ATOM 1112 CG ARG A 75 15.719 -1.203 -1.489 1.00 1.17 C ATOM 1113 CD ARG A 75 16.389 -2.288 -2.316 1.00 1.93 C ATOM 1114 NE ARG A 75 17.651 -1.835 -2.894 1.00 2.51 N ATOM 1115 CZ ARG A 75 18.432 -2.601 -3.650 1.00 2.97 C ATOM 1116 NH1 ARG A 75 18.073 -3.846 -3.931 1.00 3.08 N ATOM 1117 NH2 ARG A 75 19.573 -2.121 -4.127 1.00 3.82 N ATOM 0 H ARG A 75 12.331 -2.195 0.318 1.00 0.44 H new ATOM 0 HA ARG A 75 14.444 -0.429 0.933 1.00 0.46 H new ATOM 0 HB2 ARG A 75 14.765 -2.593 -0.174 1.00 0.59 H new ATOM 0 HB3 ARG A 75 13.774 -2.092 -1.530 1.00 0.59 H new ATOM 0 HG2 ARG A 75 15.442 -0.369 -2.134 1.00 1.17 H new ATOM 0 HG3 ARG A 75 16.424 -0.816 -0.753 1.00 1.17 H new ATOM 0 HD2 ARG A 75 16.570 -3.161 -1.690 1.00 1.93 H new ATOM 0 HD3 ARG A 75 15.717 -2.602 -3.114 1.00 1.93 H new ATOM 0 HE ARG A 75 17.950 -0.878 -2.708 1.00 2.51 H new ATOM 0 HH11 ARG A 75 17.196 -4.218 -3.567 1.00 3.08 H new ATOM 0 HH12 ARG A 75 18.674 -4.431 -4.511 1.00 3.08 H new ATOM 0 HH21 ARG A 75 19.852 -1.163 -3.914 1.00 3.82 H new ATOM 0 HH22 ARG A 75 20.171 -2.710 -4.707 1.00 3.82 H new ATOM 1131 N ILE A 76 12.265 0.695 -1.199 1.00 0.43 N ATOM 1132 CA ILE A 76 11.890 1.887 -1.956 1.00 0.48 C ATOM 1133 C ILE A 76 11.847 3.082 -1.022 1.00 0.49 C ATOM 1134 O ILE A 76 12.187 4.206 -1.401 1.00 0.60 O ATOM 1135 CB ILE A 76 10.521 1.732 -2.660 1.00 0.53 C ATOM 1136 CG1 ILE A 76 10.625 0.770 -3.851 1.00 0.62 C ATOM 1137 CG2 ILE A 76 10.005 3.086 -3.126 1.00 0.64 C ATOM 1138 CD1 ILE A 76 10.924 -0.659 -3.463 1.00 1.42 C ATOM 0 H ILE A 76 11.528 -0.004 -1.111 1.00 0.43 H new ATOM 0 HA ILE A 76 12.641 2.034 -2.732 1.00 0.48 H new ATOM 0 HB ILE A 76 9.817 1.315 -1.940 1.00 0.53 H new ATOM 0 HG12 ILE A 76 9.689 0.796 -4.408 1.00 0.62 H new ATOM 0 HG13 ILE A 76 11.406 1.124 -4.524 1.00 0.62 H new ATOM 0 HG21 ILE A 76 9.041 2.958 -3.619 1.00 0.64 H new ATOM 0 HG22 ILE A 76 9.888 3.746 -2.267 1.00 0.64 H new ATOM 0 HG23 ILE A 76 10.715 3.525 -3.827 1.00 0.64 H new ATOM 0 HD11 ILE A 76 10.982 -1.275 -4.360 1.00 1.42 H new ATOM 0 HD12 ILE A 76 11.875 -0.701 -2.933 1.00 1.42 H new ATOM 0 HD13 ILE A 76 10.131 -1.034 -2.816 1.00 1.42 H new ATOM 1150 N GLU A 77 11.443 2.817 0.209 1.00 0.45 N ATOM 1151 CA GLU A 77 11.360 3.842 1.231 1.00 0.52 C ATOM 1152 C GLU A 77 12.743 4.407 1.530 1.00 0.52 C ATOM 1153 O GLU A 77 12.890 5.581 1.860 1.00 0.71 O ATOM 1154 CB GLU A 77 10.752 3.246 2.498 1.00 0.59 C ATOM 1155 CG GLU A 77 9.331 2.740 2.313 1.00 0.95 C ATOM 1156 CD GLU A 77 8.752 2.148 3.582 1.00 1.15 C ATOM 1157 OE1 GLU A 77 8.657 2.881 4.589 1.00 1.59 O ATOM 1158 OE2 GLU A 77 8.394 0.952 3.570 1.00 1.52 O ATOM 0 H GLU A 77 11.165 1.888 0.525 1.00 0.45 H new ATOM 0 HA GLU A 77 10.727 4.654 0.872 1.00 0.52 H new ATOM 0 HB2 GLU A 77 11.380 2.423 2.840 1.00 0.59 H new ATOM 0 HB3 GLU A 77 10.760 4.001 3.284 1.00 0.59 H new ATOM 0 HG2 GLU A 77 8.698 3.562 1.978 1.00 0.95 H new ATOM 0 HG3 GLU A 77 9.318 1.986 1.526 1.00 0.95 H new ATOM 1165 N LEU A 78 13.750 3.554 1.399 1.00 0.47 N ATOM 1166 CA LEU A 78 15.135 3.942 1.646 1.00 0.56 C ATOM 1167 C LEU A 78 15.712 4.664 0.438 1.00 0.57 C ATOM 1168 O LEU A 78 16.384 5.685 0.574 1.00 0.66 O ATOM 1169 CB LEU A 78 15.981 2.709 1.970 1.00 0.63 C ATOM 1170 CG LEU A 78 15.544 1.926 3.214 1.00 0.71 C ATOM 1171 CD1 LEU A 78 16.380 0.664 3.365 1.00 0.83 C ATOM 1172 CD2 LEU A 78 15.658 2.792 4.459 1.00 0.84 C ATOM 0 H LEU A 78 13.633 2.580 1.121 1.00 0.47 H new ATOM 0 HA LEU A 78 15.154 4.620 2.499 1.00 0.56 H new ATOM 0 HB2 LEU A 78 15.960 2.038 1.112 1.00 0.63 H new ATOM 0 HB3 LEU A 78 17.016 3.023 2.103 1.00 0.63 H new ATOM 0 HG LEU A 78 14.500 1.638 3.092 1.00 0.71 H new ATOM 0 HD11 LEU A 78 16.058 0.119 4.252 1.00 0.83 H new ATOM 0 HD12 LEU A 78 16.250 0.034 2.485 1.00 0.83 H new ATOM 0 HD13 LEU A 78 17.431 0.934 3.466 1.00 0.83 H new ATOM 0 HD21 LEU A 78 15.343 2.219 5.331 1.00 0.84 H new ATOM 0 HD22 LEU A 78 16.693 3.110 4.588 1.00 0.84 H new ATOM 0 HD23 LEU A 78 15.020 3.669 4.352 1.00 0.84 H new ATOM 1184 N GLN A 79 15.435 4.128 -0.749 1.00 0.56 N ATOM 1185 CA GLN A 79 15.915 4.728 -1.985 1.00 0.63 C ATOM 1186 C GLN A 79 15.236 6.074 -2.206 1.00 0.66 C ATOM 1187 O GLN A 79 15.588 6.822 -3.120 1.00 0.84 O ATOM 1188 CB GLN A 79 15.639 3.803 -3.177 1.00 0.67 C ATOM 1189 CG GLN A 79 16.123 2.373 -2.974 1.00 0.93 C ATOM 1190 CD GLN A 79 15.908 1.490 -4.193 1.00 1.22 C ATOM 1191 OE1 GLN A 79 16.264 0.312 -4.186 1.00 1.95 O ATOM 1192 NE2 GLN A 79 15.324 2.049 -5.251 1.00 1.30 N ATOM 0 H GLN A 79 14.881 3.281 -0.878 1.00 0.56 H new ATOM 0 HA GLN A 79 16.992 4.877 -1.903 1.00 0.63 H new ATOM 0 HB2 GLN A 79 14.567 3.789 -3.373 1.00 0.67 H new ATOM 0 HB3 GLN A 79 16.119 4.216 -4.064 1.00 0.67 H new ATOM 0 HG2 GLN A 79 17.184 2.387 -2.726 1.00 0.93 H new ATOM 0 HG3 GLN A 79 15.602 1.937 -2.121 1.00 0.93 H new ATOM 0 HE21 GLN A 79 15.042 3.029 -5.220 1.00 1.30 H new ATOM 0 HE22 GLN A 79 15.158 1.497 -6.093 1.00 1.30 H new ATOM 1201 N GLN A 80 14.253 6.372 -1.359 1.00 0.54 N ATOM 1202 CA GLN A 80 13.510 7.615 -1.439 1.00 0.59 C ATOM 1203 C GLN A 80 14.050 8.642 -0.450 1.00 0.68 C ATOM 1204 O GLN A 80 13.452 9.699 -0.248 1.00 0.78 O ATOM 1205 CB GLN A 80 12.031 7.345 -1.176 1.00 0.54 C ATOM 1206 CG GLN A 80 11.204 7.199 -2.445 1.00 0.99 C ATOM 1207 CD GLN A 80 11.285 8.421 -3.342 1.00 0.98 C ATOM 1208 OE1 GLN A 80 12.345 8.749 -3.878 1.00 1.68 O ATOM 1209 NE2 GLN A 80 10.163 9.110 -3.505 1.00 0.74 N ATOM 0 H GLN A 80 13.954 5.757 -0.602 1.00 0.54 H new ATOM 0 HA GLN A 80 13.627 8.027 -2.441 1.00 0.59 H new ATOM 0 HB2 GLN A 80 11.936 6.435 -0.584 1.00 0.54 H new ATOM 0 HB3 GLN A 80 11.622 8.159 -0.577 1.00 0.54 H new ATOM 0 HG2 GLN A 80 11.546 6.324 -2.998 1.00 0.99 H new ATOM 0 HG3 GLN A 80 10.163 7.019 -2.176 1.00 0.99 H new ATOM 0 HE21 GLN A 80 9.306 8.805 -3.044 1.00 0.74 H new ATOM 0 HE22 GLN A 80 10.158 9.944 -4.092 1.00 0.74 H new ATOM 1218 N GLY A 81 15.189 8.324 0.152 1.00 0.74 N ATOM 1219 CA GLY A 81 15.806 9.226 1.105 1.00 0.88 C ATOM 1220 C GLY A 81 14.940 9.493 2.321 1.00 0.89 C ATOM 1221 O GLY A 81 15.021 10.568 2.916 1.00 0.99 O ATOM 0 H GLY A 81 15.698 7.454 -0.004 1.00 0.74 H new ATOM 0 HA2 GLY A 81 16.758 8.806 1.430 1.00 0.88 H new ATOM 0 HA3 GLY A 81 16.028 10.171 0.610 1.00 0.88 H new ATOM 1225 N ARG A 82 14.112 8.520 2.698 1.00 0.95 N ATOM 1226 CA ARG A 82 13.243 8.676 3.861 1.00 1.07 C ATOM 1227 C ARG A 82 14.082 8.924 5.105 1.00 1.09 C ATOM 1228 O ARG A 82 15.262 8.575 5.150 1.00 1.50 O ATOM 1229 CB ARG A 82 12.385 7.431 4.083 1.00 1.34 C ATOM 1230 CG ARG A 82 13.155 6.267 4.690 1.00 1.78 C ATOM 1231 CD ARG A 82 12.249 5.084 4.987 1.00 2.05 C ATOM 1232 NE ARG A 82 12.980 3.982 5.606 1.00 2.68 N ATOM 1233 CZ ARG A 82 12.413 2.848 6.005 1.00 3.14 C ATOM 1234 NH1 ARG A 82 11.106 2.668 5.860 1.00 3.20 N ATOM 1235 NH2 ARG A 82 13.151 1.892 6.555 1.00 3.90 N ATOM 0 H ARG A 82 14.025 7.623 2.219 1.00 0.95 H new ATOM 0 HA ARG A 82 12.587 9.526 3.674 1.00 1.07 H new ATOM 0 HB2 ARG A 82 11.551 7.686 4.737 1.00 1.34 H new ATOM 0 HB3 ARG A 82 11.959 7.118 3.130 1.00 1.34 H new ATOM 0 HG2 ARG A 82 13.944 5.957 4.005 1.00 1.78 H new ATOM 0 HG3 ARG A 82 13.641 6.593 5.610 1.00 1.78 H new ATOM 0 HD2 ARG A 82 11.442 5.401 5.648 1.00 2.05 H new ATOM 0 HD3 ARG A 82 11.787 4.739 4.062 1.00 2.05 H new ATOM 0 HE ARG A 82 13.985 4.089 5.740 1.00 2.68 H new ATOM 0 HH11 ARG A 82 10.534 3.401 5.441 1.00 3.20 H new ATOM 0 HH12 ARG A 82 10.674 1.797 6.167 1.00 3.20 H new ATOM 0 HH21 ARG A 82 14.155 2.027 6.672 1.00 3.90 H new ATOM 0 HH22 ARG A 82 12.714 1.022 6.861 1.00 3.90 H new ATOM 1249 N VAL A 83 13.466 9.507 6.122 1.00 1.01 N ATOM 1250 CA VAL A 83 14.159 9.777 7.371 1.00 1.24 C ATOM 1251 C VAL A 83 13.261 9.428 8.550 1.00 1.17 C ATOM 1252 O VAL A 83 12.558 10.278 9.090 1.00 1.65 O ATOM 1253 CB VAL A 83 14.588 11.249 7.456 1.00 1.94 C ATOM 1254 CG1 VAL A 83 15.418 11.488 8.707 1.00 2.77 C ATOM 1255 CG2 VAL A 83 15.354 11.653 6.204 1.00 2.45 C ATOM 0 H VAL A 83 12.490 9.801 6.107 1.00 1.01 H new ATOM 0 HA VAL A 83 15.055 9.158 7.405 1.00 1.24 H new ATOM 0 HB VAL A 83 13.695 11.871 7.520 1.00 1.94 H new ATOM 0 HG11 VAL A 83 15.714 12.536 8.752 1.00 2.77 H new ATOM 0 HG12 VAL A 83 14.827 11.239 9.589 1.00 2.77 H new ATOM 0 HG13 VAL A 83 16.309 10.860 8.678 1.00 2.77 H new ATOM 0 HG21 VAL A 83 15.651 12.699 6.281 1.00 2.45 H new ATOM 0 HG22 VAL A 83 16.243 11.030 6.104 1.00 2.45 H new ATOM 0 HG23 VAL A 83 14.718 11.519 5.329 1.00 2.45 H new ATOM 1265 N ARG A 84 13.283 8.156 8.922 1.00 1.26 N ATOM 1266 CA ARG A 84 12.459 7.652 10.009 1.00 1.64 C ATOM 1267 C ARG A 84 12.977 8.064 11.384 1.00 1.64 C ATOM 1268 O ARG A 84 13.533 7.244 12.118 1.00 2.28 O ATOM 1269 CB ARG A 84 12.368 6.126 9.913 1.00 2.64 C ATOM 1270 CG ARG A 84 13.722 5.438 9.841 1.00 3.46 C ATOM 1271 CD ARG A 84 13.578 3.950 9.573 1.00 4.08 C ATOM 1272 NE ARG A 84 14.873 3.273 9.512 1.00 4.79 N ATOM 1273 CZ ARG A 84 15.709 3.175 10.542 1.00 5.36 C ATOM 1274 NH1 ARG A 84 15.384 3.693 11.719 1.00 5.36 N ATOM 1275 NH2 ARG A 84 16.873 2.556 10.396 1.00 6.26 N ATOM 0 H ARG A 84 13.870 7.448 8.481 1.00 1.26 H new ATOM 0 HA ARG A 84 11.469 8.096 9.903 1.00 1.64 H new ATOM 0 HB2 ARG A 84 11.823 5.748 10.778 1.00 2.64 H new ATOM 0 HB3 ARG A 84 11.787 5.860 9.030 1.00 2.64 H new ATOM 0 HG2 ARG A 84 14.321 5.894 9.053 1.00 3.46 H new ATOM 0 HG3 ARG A 84 14.258 5.590 10.778 1.00 3.46 H new ATOM 0 HD2 ARG A 84 12.970 3.498 10.357 1.00 4.08 H new ATOM 0 HD3 ARG A 84 13.047 3.801 8.633 1.00 4.08 H new ATOM 0 HE ARG A 84 15.152 2.851 8.626 1.00 4.79 H new ATOM 0 HH11 ARG A 84 14.490 4.169 11.837 1.00 5.36 H new ATOM 0 HH12 ARG A 84 16.028 3.615 12.506 1.00 5.36 H new ATOM 0 HH21 ARG A 84 17.128 2.155 9.493 1.00 6.26 H new ATOM 0 HH22 ARG A 84 17.514 2.481 11.186 1.00 6.26 H new ATOM 1289 N LYS A 85 12.758 9.325 11.756 1.00 1.79 N ATOM 1290 CA LYS A 85 13.170 9.799 13.071 1.00 2.53 C ATOM 1291 C LYS A 85 12.492 8.942 14.123 1.00 2.61 C ATOM 1292 O LYS A 85 13.122 8.101 14.764 1.00 3.08 O ATOM 1293 CB LYS A 85 12.800 11.274 13.260 1.00 3.13 C ATOM 1294 CG LYS A 85 13.580 12.218 12.360 1.00 3.58 C ATOM 1295 CD LYS A 85 15.070 12.165 12.661 1.00 4.39 C ATOM 1296 CE LYS A 85 15.852 13.127 11.783 1.00 5.02 C ATOM 1297 NZ LYS A 85 17.312 13.072 12.067 1.00 5.50 N ATOM 0 H LYS A 85 12.303 10.027 11.172 1.00 1.79 H new ATOM 0 HA LYS A 85 14.253 9.718 13.166 1.00 2.53 H new ATOM 0 HB2 LYS A 85 11.734 11.400 13.068 1.00 3.13 H new ATOM 0 HB3 LYS A 85 12.971 11.552 14.300 1.00 3.13 H new ATOM 0 HG2 LYS A 85 13.408 11.954 11.317 1.00 3.58 H new ATOM 0 HG3 LYS A 85 13.216 13.236 12.495 1.00 3.58 H new ATOM 0 HD2 LYS A 85 15.239 12.409 13.710 1.00 4.39 H new ATOM 0 HD3 LYS A 85 15.437 11.150 12.507 1.00 4.39 H new ATOM 0 HE2 LYS A 85 15.676 12.887 10.734 1.00 5.02 H new ATOM 0 HE3 LYS A 85 15.489 14.142 11.943 1.00 5.02 H new ATOM 0 HZ1 LYS A 85 17.812 13.742 11.448 1.00 5.50 H new ATOM 0 HZ2 LYS A 85 17.482 13.326 13.061 1.00 5.50 H new ATOM 0 HZ3 LYS A 85 17.664 12.109 11.890 1.00 5.50 H new ATOM 1311 N ALA A 86 11.190 9.128 14.245 1.00 2.48 N ATOM 1312 CA ALA A 86 10.386 8.337 15.162 1.00 2.58 C ATOM 1313 C ALA A 86 9.027 8.054 14.535 1.00 2.00 C ATOM 1314 O ALA A 86 8.194 8.952 14.402 1.00 1.95 O ATOM 1315 CB ALA A 86 10.225 9.067 16.487 1.00 3.19 C ATOM 0 H ALA A 86 10.663 9.824 13.717 1.00 2.48 H new ATOM 0 HA ALA A 86 10.889 7.390 15.356 1.00 2.58 H new ATOM 0 HB1 ALA A 86 9.621 8.463 17.164 1.00 3.19 H new ATOM 0 HB2 ALA A 86 11.206 9.237 16.930 1.00 3.19 H new ATOM 0 HB3 ALA A 86 9.733 10.024 16.317 1.00 3.19 H new ATOM 1321 N GLU A 87 8.805 6.802 14.156 1.00 2.01 N ATOM 1322 CA GLU A 87 7.545 6.396 13.550 1.00 1.67 C ATOM 1323 C GLU A 87 6.945 5.204 14.283 1.00 1.90 C ATOM 1324 O GLU A 87 7.497 4.105 14.248 1.00 2.39 O ATOM 1325 CB GLU A 87 7.740 6.071 12.065 1.00 2.04 C ATOM 1326 CG GLU A 87 8.776 4.993 11.800 1.00 2.47 C ATOM 1327 CD GLU A 87 8.941 4.691 10.323 1.00 3.23 C ATOM 1328 OE1 GLU A 87 9.302 5.616 9.564 1.00 3.80 O ATOM 1329 OE2 GLU A 87 8.707 3.532 9.922 1.00 3.66 O ATOM 0 H GLU A 87 9.484 6.048 14.258 1.00 2.01 H new ATOM 0 HA GLU A 87 6.848 7.230 13.633 1.00 1.67 H new ATOM 0 HB2 GLU A 87 6.785 5.755 11.644 1.00 2.04 H new ATOM 0 HB3 GLU A 87 8.034 6.980 11.540 1.00 2.04 H new ATOM 0 HG2 GLU A 87 9.735 5.307 12.212 1.00 2.47 H new ATOM 0 HG3 GLU A 87 8.488 4.081 12.323 1.00 2.47 H new ATOM 1336 N ARG A 88 5.811 5.412 14.937 1.00 1.97 N ATOM 1337 CA ARG A 88 5.162 4.325 15.654 1.00 2.47 C ATOM 1338 C ARG A 88 4.064 3.714 14.787 1.00 2.28 C ATOM 1339 O ARG A 88 4.107 2.529 14.456 1.00 2.54 O ATOM 1340 CB ARG A 88 4.568 4.837 16.967 1.00 2.97 C ATOM 1341 CG ARG A 88 5.578 5.543 17.858 1.00 3.30 C ATOM 1342 CD ARG A 88 4.926 6.093 19.119 1.00 3.95 C ATOM 1343 NE ARG A 88 4.425 5.035 19.992 1.00 4.47 N ATOM 1344 CZ ARG A 88 5.209 4.155 20.614 1.00 5.01 C ATOM 1345 NH1 ARG A 88 6.526 4.216 20.465 1.00 5.17 N ATOM 1346 NH2 ARG A 88 4.676 3.219 21.386 1.00 5.74 N ATOM 0 H ARG A 88 5.328 6.309 14.986 1.00 1.97 H new ATOM 0 HA ARG A 88 5.904 3.560 15.881 1.00 2.47 H new ATOM 0 HB2 ARG A 88 3.751 5.523 16.743 1.00 2.97 H new ATOM 0 HB3 ARG A 88 4.138 3.997 17.513 1.00 2.97 H new ATOM 0 HG2 ARG A 88 6.371 4.847 18.132 1.00 3.30 H new ATOM 0 HG3 ARG A 88 6.045 6.358 17.305 1.00 3.30 H new ATOM 0 HD2 ARG A 88 5.650 6.699 19.665 1.00 3.95 H new ATOM 0 HD3 ARG A 88 4.103 6.752 18.842 1.00 3.95 H new ATOM 0 HE ARG A 88 3.417 4.966 20.134 1.00 4.47 H new ATOM 0 HH11 ARG A 88 6.940 4.937 19.874 1.00 5.17 H new ATOM 0 HH12 ARG A 88 7.125 3.542 20.942 1.00 5.17 H new ATOM 0 HH21 ARG A 88 3.664 3.171 21.505 1.00 5.74 H new ATOM 0 HH22 ARG A 88 5.278 2.546 21.861 1.00 5.74 H new ATOM 1360 N TRP A 89 3.094 4.538 14.410 1.00 1.98 N ATOM 1361 CA TRP A 89 1.992 4.094 13.567 1.00 1.91 C ATOM 1362 C TRP A 89 1.871 4.978 12.322 1.00 1.60 C ATOM 1363 O TRP A 89 0.892 4.889 11.580 1.00 1.71 O ATOM 1364 CB TRP A 89 0.686 4.107 14.366 1.00 2.11 C ATOM 1365 CG TRP A 89 -0.443 3.380 13.697 1.00 2.00 C ATOM 1366 CD1 TRP A 89 -0.365 2.210 12.996 1.00 2.28 C ATOM 1367 CD2 TRP A 89 -1.821 3.767 13.679 1.00 2.29 C ATOM 1368 NE1 TRP A 89 -1.609 1.851 12.539 1.00 2.69 N ATOM 1369 CE2 TRP A 89 -2.519 2.790 12.945 1.00 2.74 C ATOM 1370 CE3 TRP A 89 -2.531 4.847 14.210 1.00 2.65 C ATOM 1371 CZ2 TRP A 89 -3.893 2.861 12.732 1.00 3.44 C ATOM 1372 CZ3 TRP A 89 -3.895 4.916 13.997 1.00 3.33 C ATOM 1373 CH2 TRP A 89 -4.564 3.929 13.265 1.00 3.70 C ATOM 0 H TRP A 89 3.049 5.522 14.676 1.00 1.98 H new ATOM 0 HA TRP A 89 2.193 3.075 13.238 1.00 1.91 H new ATOM 0 HB2 TRP A 89 0.865 3.659 15.343 1.00 2.11 H new ATOM 0 HB3 TRP A 89 0.388 5.141 14.539 1.00 2.11 H new ATOM 0 HD1 TRP A 89 0.542 1.649 12.826 1.00 2.28 H new ATOM 0 HE1 TRP A 89 -1.821 1.020 11.987 1.00 2.69 H new ATOM 0 HE3 TRP A 89 -2.023 5.614 14.776 1.00 2.65 H new ATOM 0 HZ2 TRP A 89 -4.411 2.101 12.166 1.00 3.44 H new ATOM 0 HZ3 TRP A 89 -4.454 5.746 14.403 1.00 3.33 H new ATOM 0 HH2 TRP A 89 -5.631 4.011 13.117 1.00 3.70 H new ATOM 1384 N GLY A 90 2.853 5.855 12.117 1.00 1.35 N ATOM 1385 CA GLY A 90 2.805 6.766 10.983 1.00 1.15 C ATOM 1386 C GLY A 90 3.633 6.333 9.785 1.00 1.08 C ATOM 1387 O GLY A 90 4.444 5.409 9.874 1.00 1.29 O ATOM 0 H GLY A 90 3.676 5.951 12.712 1.00 1.35 H new ATOM 0 HA2 GLY A 90 1.767 6.879 10.669 1.00 1.15 H new ATOM 0 HA3 GLY A 90 3.148 7.748 11.309 1.00 1.15 H new ATOM 1391 N PRO A 91 3.429 7.006 8.635 1.00 0.96 N ATOM 1392 CA PRO A 91 4.136 6.716 7.379 1.00 1.07 C ATOM 1393 C PRO A 91 5.564 7.263 7.344 1.00 1.17 C ATOM 1394 O PRO A 91 6.523 6.508 7.184 1.00 1.60 O ATOM 1395 CB PRO A 91 3.280 7.444 6.338 1.00 1.09 C ATOM 1396 CG PRO A 91 2.702 8.597 7.077 1.00 1.09 C ATOM 1397 CD PRO A 91 2.460 8.109 8.475 1.00 0.91 C ATOM 0 HA PRO A 91 4.247 5.643 7.221 1.00 1.07 H new ATOM 0 HB2 PRO A 91 3.881 7.776 5.491 1.00 1.09 H new ATOM 0 HB3 PRO A 91 2.500 6.795 5.941 1.00 1.09 H new ATOM 0 HG2 PRO A 91 3.385 9.446 7.072 1.00 1.09 H new ATOM 0 HG3 PRO A 91 1.774 8.932 6.614 1.00 1.09 H new ATOM 0 HD2 PRO A 91 2.627 8.898 9.209 1.00 0.91 H new ATOM 0 HD3 PRO A 91 1.435 7.763 8.606 1.00 0.91 H new ATOM 1405 N ARG A 92 5.682 8.585 7.472 1.00 0.93 N ATOM 1406 CA ARG A 92 6.967 9.273 7.439 1.00 1.03 C ATOM 1407 C ARG A 92 7.515 9.315 6.012 1.00 1.13 C ATOM 1408 O ARG A 92 8.441 8.577 5.675 1.00 1.95 O ATOM 1409 CB ARG A 92 7.987 8.616 8.378 1.00 1.21 C ATOM 1410 CG ARG A 92 9.036 9.583 8.911 1.00 1.04 C ATOM 1411 CD ARG A 92 9.697 10.378 7.796 1.00 1.71 C ATOM 1412 NE ARG A 92 10.512 11.476 8.310 1.00 2.57 N ATOM 1413 CZ ARG A 92 11.256 12.267 7.543 1.00 3.53 C ATOM 1414 NH1 ARG A 92 11.316 12.065 6.234 1.00 3.96 N ATOM 1415 NH2 ARG A 92 11.951 13.258 8.087 1.00 4.39 N ATOM 0 H ARG A 92 4.885 9.208 7.602 1.00 0.93 H new ATOM 0 HA ARG A 92 6.801 10.292 7.788 1.00 1.03 H new ATOM 0 HB2 ARG A 92 7.458 8.167 9.219 1.00 1.21 H new ATOM 0 HB3 ARG A 92 8.488 7.806 7.848 1.00 1.21 H new ATOM 0 HG2 ARG A 92 8.570 10.269 9.618 1.00 1.04 H new ATOM 0 HG3 ARG A 92 9.796 9.027 9.460 1.00 1.04 H new ATOM 0 HD2 ARG A 92 10.321 9.713 7.199 1.00 1.71 H new ATOM 0 HD3 ARG A 92 8.930 10.777 7.132 1.00 1.71 H new ATOM 0 HE ARG A 92 10.510 11.646 9.316 1.00 2.57 H new ATOM 0 HH11 ARG A 92 10.790 11.300 5.811 1.00 3.96 H new ATOM 0 HH12 ARG A 92 11.888 12.675 5.650 1.00 3.96 H new ATOM 0 HH21 ARG A 92 11.915 13.413 9.094 1.00 4.39 H new ATOM 0 HH22 ARG A 92 12.522 13.864 7.498 1.00 4.39 H new ATOM 1429 N THR A 93 6.921 10.185 5.190 1.00 0.94 N ATOM 1430 CA THR A 93 7.314 10.357 3.793 1.00 0.91 C ATOM 1431 C THR A 93 6.709 9.258 2.938 1.00 0.83 C ATOM 1432 O THR A 93 6.060 9.530 1.932 1.00 1.08 O ATOM 1433 CB THR A 93 8.842 10.379 3.640 1.00 1.02 C ATOM 1434 OG1 THR A 93 9.404 11.430 4.402 1.00 1.52 O ATOM 1435 CG2 THR A 93 9.303 10.555 2.210 1.00 1.47 C ATOM 0 H THR A 93 6.152 10.790 5.478 1.00 0.94 H new ATOM 0 HA THR A 93 6.933 11.320 3.452 1.00 0.91 H new ATOM 0 HB THR A 93 9.180 9.405 3.994 1.00 1.02 H new ATOM 0 HG1 THR A 93 8.962 12.274 4.171 1.00 1.52 H new ATOM 0 HG21 THR A 93 10.392 10.561 2.177 1.00 1.47 H new ATOM 0 HG22 THR A 93 8.926 9.732 1.602 1.00 1.47 H new ATOM 0 HG23 THR A 93 8.923 11.499 1.819 1.00 1.47 H new ATOM 1443 N LEU A 94 6.905 8.015 3.353 1.00 0.68 N ATOM 1444 CA LEU A 94 6.348 6.891 2.620 1.00 0.64 C ATOM 1445 C LEU A 94 6.443 5.602 3.427 1.00 0.56 C ATOM 1446 O LEU A 94 7.365 5.413 4.220 1.00 0.71 O ATOM 1447 CB LEU A 94 7.047 6.717 1.267 1.00 0.72 C ATOM 1448 CG LEU A 94 8.478 6.166 1.317 1.00 1.00 C ATOM 1449 CD1 LEU A 94 9.017 5.970 -0.090 1.00 1.44 C ATOM 1450 CD2 LEU A 94 9.391 7.090 2.108 1.00 1.87 C ATOM 0 H LEU A 94 7.440 7.762 4.184 1.00 0.68 H new ATOM 0 HA LEU A 94 5.295 7.108 2.443 1.00 0.64 H new ATOM 0 HB2 LEU A 94 6.443 6.050 0.651 1.00 0.72 H new ATOM 0 HB3 LEU A 94 7.068 7.684 0.764 1.00 0.72 H new ATOM 0 HG LEU A 94 8.452 5.201 1.822 1.00 1.00 H new ATOM 0 HD11 LEU A 94 10.033 5.579 -0.039 1.00 1.44 H new ATOM 0 HD12 LEU A 94 8.383 5.265 -0.628 1.00 1.44 H new ATOM 0 HD13 LEU A 94 9.022 6.926 -0.614 1.00 1.44 H new ATOM 0 HD21 LEU A 94 10.399 6.676 2.128 1.00 1.87 H new ATOM 0 HD22 LEU A 94 9.411 8.072 1.636 1.00 1.87 H new ATOM 0 HD23 LEU A 94 9.018 7.185 3.128 1.00 1.87 H new ATOM 1462 N ASP A 95 5.478 4.719 3.204 1.00 0.52 N ATOM 1463 CA ASP A 95 5.426 3.435 3.887 1.00 0.53 C ATOM 1464 C ASP A 95 4.541 2.475 3.108 1.00 0.46 C ATOM 1465 O ASP A 95 3.334 2.394 3.343 1.00 0.59 O ATOM 1466 CB ASP A 95 4.894 3.609 5.312 1.00 0.73 C ATOM 1467 CG ASP A 95 4.902 2.313 6.103 1.00 1.16 C ATOM 1468 OD1 ASP A 95 4.213 1.357 5.689 1.00 1.64 O ATOM 1469 OD2 ASP A 95 5.600 2.253 7.137 1.00 1.72 O ATOM 0 H ASP A 95 4.713 4.873 2.547 1.00 0.52 H new ATOM 0 HA ASP A 95 6.434 3.024 3.944 1.00 0.53 H new ATOM 0 HB2 ASP A 95 5.499 4.351 5.833 1.00 0.73 H new ATOM 0 HB3 ASP A 95 3.877 3.998 5.271 1.00 0.73 H new ATOM 1474 N LEU A 96 5.143 1.760 2.166 1.00 0.38 N ATOM 1475 CA LEU A 96 4.404 0.817 1.339 1.00 0.36 C ATOM 1476 C LEU A 96 4.658 -0.622 1.775 1.00 0.40 C ATOM 1477 O LEU A 96 5.747 -1.161 1.584 1.00 0.53 O ATOM 1478 CB LEU A 96 4.755 1.003 -0.145 1.00 0.43 C ATOM 1479 CG LEU A 96 6.224 0.794 -0.530 1.00 0.52 C ATOM 1480 CD1 LEU A 96 6.356 0.644 -2.036 1.00 0.97 C ATOM 1481 CD2 LEU A 96 7.078 1.953 -0.045 1.00 0.89 C ATOM 0 H LEU A 96 6.140 1.816 1.956 1.00 0.38 H new ATOM 0 HA LEU A 96 3.342 1.023 1.471 1.00 0.36 H new ATOM 0 HB2 LEU A 96 4.147 0.312 -0.729 1.00 0.43 H new ATOM 0 HB3 LEU A 96 4.464 2.011 -0.441 1.00 0.43 H new ATOM 0 HG LEU A 96 6.577 -0.119 -0.050 1.00 0.52 H new ATOM 0 HD11 LEU A 96 7.404 0.496 -2.296 1.00 0.97 H new ATOM 0 HD12 LEU A 96 5.775 -0.216 -2.368 1.00 0.97 H new ATOM 0 HD13 LEU A 96 5.984 1.544 -2.525 1.00 0.97 H new ATOM 0 HD21 LEU A 96 8.117 1.784 -0.329 1.00 0.89 H new ATOM 0 HD22 LEU A 96 6.725 2.880 -0.497 1.00 0.89 H new ATOM 0 HD23 LEU A 96 7.006 2.029 1.040 1.00 0.89 H new ATOM 1493 N ASP A 97 3.637 -1.236 2.369 1.00 0.38 N ATOM 1494 CA ASP A 97 3.733 -2.615 2.839 1.00 0.44 C ATOM 1495 C ASP A 97 2.682 -3.482 2.156 1.00 0.39 C ATOM 1496 O ASP A 97 1.620 -2.991 1.774 1.00 0.40 O ATOM 1497 CB ASP A 97 3.538 -2.683 4.358 1.00 0.55 C ATOM 1498 CG ASP A 97 4.472 -1.760 5.123 1.00 1.14 C ATOM 1499 OD1 ASP A 97 5.242 -1.024 4.469 1.00 1.45 O ATOM 1500 OD2 ASP A 97 4.439 -1.775 6.370 1.00 1.93 O ATOM 0 H ASP A 97 2.731 -0.798 2.536 1.00 0.38 H new ATOM 0 HA ASP A 97 4.727 -2.988 2.590 1.00 0.44 H new ATOM 0 HB2 ASP A 97 2.506 -2.425 4.597 1.00 0.55 H new ATOM 0 HB3 ASP A 97 3.696 -3.708 4.693 1.00 0.55 H new ATOM 1505 N ILE A 98 2.972 -4.773 2.014 1.00 0.39 N ATOM 1506 CA ILE A 98 2.029 -5.690 1.388 1.00 0.36 C ATOM 1507 C ILE A 98 0.718 -5.732 2.169 1.00 0.35 C ATOM 1508 O ILE A 98 0.702 -6.020 3.366 1.00 0.53 O ATOM 1509 CB ILE A 98 2.605 -7.124 1.259 1.00 0.36 C ATOM 1510 CG1 ILE A 98 3.590 -7.215 0.092 1.00 0.48 C ATOM 1511 CG2 ILE A 98 1.488 -8.146 1.090 1.00 0.44 C ATOM 1512 CD1 ILE A 98 3.087 -6.589 -1.194 1.00 1.20 C ATOM 0 H ILE A 98 3.844 -5.203 2.321 1.00 0.39 H new ATOM 0 HA ILE A 98 1.842 -5.312 0.383 1.00 0.36 H new ATOM 0 HB ILE A 98 3.142 -7.350 2.180 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.523 -6.729 0.379 1.00 0.48 H new ATOM 0 HG13 ILE A 98 3.821 -8.264 -0.093 1.00 0.48 H new ATOM 0 HG21 ILE A 98 1.918 -9.144 1.002 1.00 0.44 H new ATOM 0 HG22 ILE A 98 0.828 -8.111 1.957 1.00 0.44 H new ATOM 0 HG23 ILE A 98 0.917 -7.916 0.190 1.00 0.44 H new ATOM 0 HD11 ILE A 98 3.844 -6.696 -1.971 1.00 1.20 H new ATOM 0 HD12 ILE A 98 2.171 -7.089 -1.508 1.00 1.20 H new ATOM 0 HD13 ILE A 98 2.884 -5.531 -1.028 1.00 1.20 H new ATOM 1524 N MET A 99 -0.377 -5.435 1.477 1.00 0.32 N ATOM 1525 CA MET A 99 -1.698 -5.429 2.097 1.00 0.36 C ATOM 1526 C MET A 99 -2.577 -6.512 1.487 1.00 0.33 C ATOM 1527 O MET A 99 -3.572 -6.931 2.079 1.00 0.37 O ATOM 1528 CB MET A 99 -2.357 -4.065 1.923 1.00 0.43 C ATOM 1529 CG MET A 99 -1.477 -2.910 2.368 1.00 0.68 C ATOM 1530 SD MET A 99 -0.938 -3.062 4.083 1.00 1.56 S ATOM 1531 CE MET A 99 -2.512 -3.134 4.935 1.00 2.37 C ATOM 0 H MET A 99 -0.376 -5.195 0.486 1.00 0.32 H new ATOM 0 HA MET A 99 -1.580 -5.632 3.161 1.00 0.36 H new ATOM 0 HB2 MET A 99 -2.621 -3.928 0.874 1.00 0.43 H new ATOM 0 HB3 MET A 99 -3.287 -4.044 2.491 1.00 0.43 H new ATOM 0 HG2 MET A 99 -0.602 -2.856 1.720 1.00 0.68 H new ATOM 0 HG3 MET A 99 -2.023 -1.975 2.245 1.00 0.68 H new ATOM 0 HE1 MET A 99 -2.343 -3.139 6.012 1.00 2.37 H new ATOM 0 HE2 MET A 99 -3.112 -2.264 4.666 1.00 2.37 H new ATOM 0 HE3 MET A 99 -3.041 -4.042 4.646 1.00 2.37 H new ATOM 1541 N LEU A 100 -2.193 -6.964 0.303 1.00 0.30 N ATOM 1542 CA LEU A 100 -2.920 -8.005 -0.402 1.00 0.30 C ATOM 1543 C LEU A 100 -2.000 -8.641 -1.428 1.00 0.31 C ATOM 1544 O LEU A 100 -1.334 -7.942 -2.190 1.00 0.58 O ATOM 1545 CB LEU A 100 -4.186 -7.445 -1.068 1.00 0.30 C ATOM 1546 CG LEU A 100 -5.503 -7.877 -0.420 1.00 0.37 C ATOM 1547 CD1 LEU A 100 -6.685 -7.240 -1.133 1.00 0.40 C ATOM 1548 CD2 LEU A 100 -5.630 -9.394 -0.432 1.00 0.43 C ATOM 0 H LEU A 100 -1.371 -6.620 -0.194 1.00 0.30 H new ATOM 0 HA LEU A 100 -3.243 -8.763 0.312 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -4.133 -6.356 -1.057 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -4.195 -7.753 -2.114 1.00 0.30 H new ATOM 0 HG LEU A 100 -5.503 -7.537 0.616 1.00 0.37 H new ATOM 0 HD11 LEU A 100 -7.612 -7.560 -0.657 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -6.603 -6.155 -1.075 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -6.689 -7.548 -2.178 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -6.572 -9.684 0.033 1.00 0.43 H new ATOM 0 HD22 LEU A 100 -5.607 -9.753 -1.461 1.00 0.43 H new ATOM 0 HD23 LEU A 100 -4.801 -9.833 0.124 1.00 0.43 H new ATOM 1560 N PHE A 101 -1.933 -9.962 -1.426 1.00 0.36 N ATOM 1561 CA PHE A 101 -1.061 -10.671 -2.346 1.00 0.36 C ATOM 1562 C PHE A 101 -1.594 -12.070 -2.625 1.00 0.38 C ATOM 1563 O PHE A 101 -1.399 -12.988 -1.828 1.00 0.88 O ATOM 1564 CB PHE A 101 0.354 -10.734 -1.756 1.00 0.46 C ATOM 1565 CG PHE A 101 1.413 -11.167 -2.728 1.00 0.70 C ATOM 1566 CD1 PHE A 101 1.357 -10.781 -4.058 1.00 1.13 C ATOM 1567 CD2 PHE A 101 2.471 -11.956 -2.309 1.00 1.10 C ATOM 1568 CE1 PHE A 101 2.334 -11.176 -4.951 1.00 1.59 C ATOM 1569 CE2 PHE A 101 3.450 -12.355 -3.199 1.00 1.59 C ATOM 1570 CZ PHE A 101 3.382 -11.964 -4.522 1.00 1.75 C ATOM 0 H PHE A 101 -2.470 -10.563 -0.800 1.00 0.36 H new ATOM 0 HA PHE A 101 -1.029 -10.135 -3.295 1.00 0.36 H new ATOM 0 HB2 PHE A 101 0.616 -9.750 -1.366 1.00 0.46 H new ATOM 0 HB3 PHE A 101 0.351 -11.422 -0.910 1.00 0.46 H new ATOM 0 HD1 PHE A 101 0.539 -10.164 -4.400 1.00 1.13 H new ATOM 0 HD2 PHE A 101 2.532 -12.263 -1.275 1.00 1.10 H new ATOM 0 HE1 PHE A 101 2.277 -10.868 -5.985 1.00 1.59 H new ATOM 0 HE2 PHE A 101 4.268 -12.973 -2.860 1.00 1.59 H new ATOM 0 HZ PHE A 101 4.147 -12.274 -5.218 1.00 1.75 H new ATOM 1580 N GLY A 102 -2.276 -12.220 -3.758 1.00 0.58 N ATOM 1581 CA GLY A 102 -2.839 -13.507 -4.128 1.00 0.60 C ATOM 1582 C GLY A 102 -3.674 -14.112 -3.018 1.00 0.73 C ATOM 1583 O GLY A 102 -4.489 -13.425 -2.403 1.00 1.49 O ATOM 0 H GLY A 102 -2.449 -11.471 -4.428 1.00 0.58 H new ATOM 0 HA2 GLY A 102 -3.455 -13.388 -5.019 1.00 0.60 H new ATOM 0 HA3 GLY A 102 -2.032 -14.193 -4.387 1.00 0.60 H new ATOM 1587 N ASN A 103 -3.469 -15.396 -2.758 1.00 0.56 N ATOM 1588 CA ASN A 103 -4.205 -16.086 -1.710 1.00 0.58 C ATOM 1589 C ASN A 103 -3.253 -16.715 -0.698 1.00 0.52 C ATOM 1590 O ASN A 103 -3.670 -17.500 0.153 1.00 0.67 O ATOM 1591 CB ASN A 103 -5.128 -17.155 -2.306 1.00 0.76 C ATOM 1592 CG ASN A 103 -4.387 -18.228 -3.089 1.00 0.85 C ATOM 1593 OD1 ASN A 103 -5.001 -19.165 -3.600 1.00 1.55 O ATOM 1594 ND2 ASN A 103 -3.066 -18.103 -3.192 1.00 0.90 N ATOM 0 H ASN A 103 -2.799 -15.980 -3.259 1.00 0.56 H new ATOM 0 HA ASN A 103 -4.818 -15.348 -1.193 1.00 0.58 H new ATOM 0 HB2 ASN A 103 -5.691 -17.627 -1.501 1.00 0.76 H new ATOM 0 HB3 ASN A 103 -5.853 -16.673 -2.962 1.00 0.76 H new ATOM 0 HD21 ASN A 103 -2.527 -18.798 -3.708 1.00 0.90 H new ATOM 0 HD22 ASN A 103 -2.593 -17.312 -2.755 1.00 0.90 H new ATOM 1601 N GLU A 104 -1.974 -16.360 -0.787 1.00 0.43 N ATOM 1602 CA GLU A 104 -0.980 -16.894 0.135 1.00 0.42 C ATOM 1603 C GLU A 104 -1.130 -16.289 1.515 1.00 0.42 C ATOM 1604 O GLU A 104 -1.829 -15.292 1.704 1.00 0.58 O ATOM 1605 CB GLU A 104 0.445 -16.664 -0.366 1.00 0.51 C ATOM 1606 CG GLU A 104 0.669 -15.307 -1.018 1.00 0.56 C ATOM 1607 CD GLU A 104 0.241 -15.279 -2.474 1.00 1.57 C ATOM 1608 OE1 GLU A 104 -0.288 -16.302 -2.960 1.00 2.29 O ATOM 1609 OE2 GLU A 104 0.437 -14.234 -3.129 1.00 2.14 O ATOM 0 H GLU A 104 -1.605 -15.711 -1.482 1.00 0.43 H new ATOM 0 HA GLU A 104 -1.157 -17.968 0.193 1.00 0.42 H new ATOM 0 HB2 GLU A 104 1.134 -16.769 0.472 1.00 0.51 H new ATOM 0 HB3 GLU A 104 0.695 -17.445 -1.084 1.00 0.51 H new ATOM 0 HG2 GLU A 104 0.115 -14.547 -0.466 1.00 0.56 H new ATOM 0 HG3 GLU A 104 1.725 -15.045 -0.949 1.00 0.56 H new ATOM 1616 N VAL A 105 -0.466 -16.909 2.476 1.00 0.50 N ATOM 1617 CA VAL A 105 -0.505 -16.464 3.856 1.00 0.56 C ATOM 1618 C VAL A 105 0.827 -16.749 4.543 1.00 0.61 C ATOM 1619 O VAL A 105 1.003 -17.787 5.179 1.00 0.72 O ATOM 1620 CB VAL A 105 -1.642 -17.169 4.619 1.00 0.66 C ATOM 1621 CG1 VAL A 105 -1.601 -16.821 6.101 1.00 0.80 C ATOM 1622 CG2 VAL A 105 -2.994 -16.806 4.024 1.00 0.67 C ATOM 0 H VAL A 105 0.114 -17.734 2.320 1.00 0.50 H new ATOM 0 HA VAL A 105 -0.688 -15.389 3.862 1.00 0.56 H new ATOM 0 HB VAL A 105 -1.498 -18.245 4.518 1.00 0.66 H new ATOM 0 HG11 VAL A 105 -2.414 -17.331 6.617 1.00 0.80 H new ATOM 0 HG12 VAL A 105 -0.647 -17.138 6.523 1.00 0.80 H new ATOM 0 HG13 VAL A 105 -1.712 -15.744 6.225 1.00 0.80 H new ATOM 0 HG21 VAL A 105 -3.783 -17.314 4.577 1.00 0.67 H new ATOM 0 HG22 VAL A 105 -3.142 -15.728 4.088 1.00 0.67 H new ATOM 0 HG23 VAL A 105 -3.027 -17.115 2.979 1.00 0.67 H new ATOM 1632 N ILE A 106 1.768 -15.822 4.398 1.00 0.58 N ATOM 1633 CA ILE A 106 3.087 -15.978 4.995 1.00 0.64 C ATOM 1634 C ILE A 106 3.445 -14.773 5.856 1.00 0.61 C ATOM 1635 O ILE A 106 3.401 -13.631 5.395 1.00 0.57 O ATOM 1636 CB ILE A 106 4.174 -16.170 3.919 1.00 0.74 C ATOM 1637 CG1 ILE A 106 3.841 -17.377 3.036 1.00 0.76 C ATOM 1638 CG2 ILE A 106 5.540 -16.344 4.572 1.00 1.31 C ATOM 1639 CD1 ILE A 106 4.829 -17.593 1.908 1.00 1.45 C ATOM 0 H ILE A 106 1.641 -14.957 3.873 1.00 0.58 H new ATOM 0 HA ILE A 106 3.047 -16.870 5.621 1.00 0.64 H new ATOM 0 HB ILE A 106 4.204 -15.281 3.290 1.00 0.74 H new ATOM 0 HG12 ILE A 106 3.809 -18.273 3.656 1.00 0.76 H new ATOM 0 HG13 ILE A 106 2.844 -17.245 2.615 1.00 0.76 H new ATOM 0 HG21 ILE A 106 6.298 -16.479 3.800 1.00 1.31 H new ATOM 0 HG22 ILE A 106 5.777 -15.459 5.162 1.00 1.31 H new ATOM 0 HG23 ILE A 106 5.524 -17.219 5.221 1.00 1.31 H new ATOM 0 HD11 ILE A 106 4.531 -18.464 1.325 1.00 1.45 H new ATOM 0 HD12 ILE A 106 4.845 -16.713 1.265 1.00 1.45 H new ATOM 0 HD13 ILE A 106 5.824 -17.757 2.322 1.00 1.45 H new ATOM 1651 N ASN A 107 3.807 -15.040 7.105 1.00 0.84 N ATOM 1652 CA ASN A 107 4.190 -13.989 8.042 1.00 0.90 C ATOM 1653 C ASN A 107 5.606 -14.236 8.544 1.00 0.91 C ATOM 1654 O ASN A 107 5.844 -15.152 9.331 1.00 1.02 O ATOM 1655 CB ASN A 107 3.224 -13.948 9.235 1.00 1.09 C ATOM 1656 CG ASN A 107 1.786 -13.615 8.856 1.00 1.00 C ATOM 1657 OD1 ASN A 107 0.899 -13.617 9.710 1.00 1.28 O ATOM 1658 ND2 ASN A 107 1.539 -13.318 7.584 1.00 1.21 N ATOM 0 H ASN A 107 3.844 -15.982 7.495 1.00 0.84 H new ATOM 0 HA ASN A 107 4.147 -13.032 7.522 1.00 0.90 H new ATOM 0 HB2 ASN A 107 3.242 -14.915 9.737 1.00 1.09 H new ATOM 0 HB3 ASN A 107 3.580 -13.209 9.953 1.00 1.09 H new ATOM 0 HD21 ASN A 107 0.591 -13.082 7.290 1.00 1.21 H new ATOM 0 HD22 ASN A 107 2.297 -13.326 6.902 1.00 1.21 H new ATOM 1665 N THR A 108 6.547 -13.421 8.082 1.00 0.86 N ATOM 1666 CA THR A 108 7.940 -13.570 8.489 1.00 0.89 C ATOM 1667 C THR A 108 8.327 -12.513 9.523 1.00 0.91 C ATOM 1668 O THR A 108 7.653 -12.357 10.541 1.00 1.16 O ATOM 1669 CB THR A 108 8.865 -13.499 7.271 1.00 0.90 C ATOM 1670 OG1 THR A 108 8.749 -12.244 6.625 1.00 1.07 O ATOM 1671 CG2 THR A 108 8.583 -14.574 6.242 1.00 0.92 C ATOM 0 H THR A 108 6.374 -12.656 7.430 1.00 0.86 H new ATOM 0 HA THR A 108 8.054 -14.550 8.953 1.00 0.89 H new ATOM 0 HB THR A 108 9.871 -13.649 7.663 1.00 0.90 H new ATOM 0 HG1 THR A 108 9.139 -12.301 5.728 1.00 1.07 H new ATOM 0 HG21 THR A 108 9.273 -14.467 5.405 1.00 0.92 H new ATOM 0 HG22 THR A 108 8.714 -15.556 6.697 1.00 0.92 H new ATOM 0 HG23 THR A 108 7.559 -14.474 5.883 1.00 0.92 H new ATOM 1679 N GLU A 109 9.413 -11.790 9.261 1.00 0.83 N ATOM 1680 CA GLU A 109 9.882 -10.756 10.174 1.00 0.86 C ATOM 1681 C GLU A 109 9.277 -9.404 9.817 1.00 0.73 C ATOM 1682 O GLU A 109 8.876 -8.639 10.695 1.00 0.87 O ATOM 1683 CB GLU A 109 11.408 -10.669 10.138 1.00 0.95 C ATOM 1684 CG GLU A 109 12.100 -11.965 10.532 1.00 1.22 C ATOM 1685 CD GLU A 109 13.613 -11.859 10.483 1.00 1.93 C ATOM 1686 OE1 GLU A 109 14.123 -10.771 10.138 1.00 2.60 O ATOM 1687 OE2 GLU A 109 14.288 -12.864 10.787 1.00 2.37 O ATOM 0 H GLU A 109 9.984 -11.903 8.423 1.00 0.83 H new ATOM 0 HA GLU A 109 9.564 -11.023 11.182 1.00 0.86 H new ATOM 0 HB2 GLU A 109 11.724 -10.389 9.133 1.00 0.95 H new ATOM 0 HB3 GLU A 109 11.734 -9.874 10.808 1.00 0.95 H new ATOM 0 HG2 GLU A 109 11.792 -12.245 11.539 1.00 1.22 H new ATOM 0 HG3 GLU A 109 11.774 -12.763 9.865 1.00 1.22 H new ATOM 1694 N ARG A 110 9.215 -9.117 8.521 1.00 0.63 N ATOM 1695 CA ARG A 110 8.660 -7.859 8.043 1.00 0.64 C ATOM 1696 C ARG A 110 7.471 -8.105 7.122 1.00 0.66 C ATOM 1697 O ARG A 110 6.584 -7.261 6.998 1.00 0.77 O ATOM 1698 CB ARG A 110 9.732 -7.058 7.305 1.00 0.63 C ATOM 1699 CG ARG A 110 10.967 -6.785 8.150 1.00 0.86 C ATOM 1700 CD ARG A 110 12.001 -5.968 7.390 1.00 1.64 C ATOM 1701 NE ARG A 110 11.532 -4.617 7.101 1.00 2.22 N ATOM 1702 CZ ARG A 110 12.269 -3.696 6.486 1.00 2.77 C ATOM 1703 NH1 ARG A 110 13.500 -3.987 6.083 1.00 3.01 N ATOM 1704 NH2 ARG A 110 11.777 -2.483 6.272 1.00 3.68 N ATOM 0 H ARG A 110 9.543 -9.740 7.783 1.00 0.63 H new ATOM 0 HA ARG A 110 8.316 -7.289 8.906 1.00 0.64 H new ATOM 0 HB2 ARG A 110 10.027 -7.601 6.407 1.00 0.63 H new ATOM 0 HB3 ARG A 110 9.306 -6.109 6.979 1.00 0.63 H new ATOM 0 HG2 ARG A 110 10.677 -6.253 9.056 1.00 0.86 H new ATOM 0 HG3 ARG A 110 11.409 -7.731 8.463 1.00 0.86 H new ATOM 0 HD2 ARG A 110 12.920 -5.915 7.974 1.00 1.64 H new ATOM 0 HD3 ARG A 110 12.246 -6.473 6.456 1.00 1.64 H new ATOM 0 HE ARG A 110 10.586 -4.365 7.387 1.00 2.22 H new ATOM 0 HH11 ARG A 110 13.883 -4.919 6.245 1.00 3.01 H new ATOM 0 HH12 ARG A 110 14.063 -3.279 5.612 1.00 3.01 H new ATOM 0 HH21 ARG A 110 10.832 -2.255 6.579 1.00 3.68 H new ATOM 0 HH22 ARG A 110 12.344 -1.779 5.800 1.00 3.68 H new ATOM 1718 N LEU A 111 7.462 -9.265 6.476 1.00 0.62 N ATOM 1719 CA LEU A 111 6.385 -9.620 5.564 1.00 0.63 C ATOM 1720 C LEU A 111 5.051 -9.746 6.288 1.00 0.56 C ATOM 1721 O LEU A 111 4.935 -10.434 7.304 1.00 0.66 O ATOM 1722 CB LEU A 111 6.693 -10.934 4.836 1.00 0.73 C ATOM 1723 CG LEU A 111 5.459 -11.711 4.343 1.00 0.94 C ATOM 1724 CD1 LEU A 111 4.612 -10.862 3.405 1.00 1.15 C ATOM 1725 CD2 LEU A 111 5.861 -13.003 3.657 1.00 1.64 C ATOM 0 H LEU A 111 8.189 -9.975 6.568 1.00 0.62 H new ATOM 0 HA LEU A 111 6.309 -8.812 4.836 1.00 0.63 H new ATOM 0 HB2 LEU A 111 7.332 -10.716 3.980 1.00 0.73 H new ATOM 0 HB3 LEU A 111 7.265 -11.577 5.505 1.00 0.73 H new ATOM 0 HG LEU A 111 4.861 -11.958 5.220 1.00 0.94 H new ATOM 0 HD11 LEU A 111 3.748 -11.438 3.074 1.00 1.15 H new ATOM 0 HD12 LEU A 111 4.273 -9.968 3.929 1.00 1.15 H new ATOM 0 HD13 LEU A 111 5.208 -10.571 2.540 1.00 1.15 H new ATOM 0 HD21 LEU A 111 4.968 -13.529 3.320 1.00 1.64 H new ATOM 0 HD22 LEU A 111 6.495 -12.778 2.799 1.00 1.64 H new ATOM 0 HD23 LEU A 111 6.410 -13.632 4.358 1.00 1.64 H new ATOM 1737 N THR A 112 4.043 -9.102 5.723 1.00 0.46 N ATOM 1738 CA THR A 112 2.699 -9.149 6.253 1.00 0.42 C ATOM 1739 C THR A 112 1.701 -9.286 5.113 1.00 0.39 C ATOM 1740 O THR A 112 1.609 -8.413 4.250 1.00 0.43 O ATOM 1741 CB THR A 112 2.384 -7.895 7.067 1.00 0.45 C ATOM 1742 OG1 THR A 112 2.894 -6.737 6.431 1.00 0.65 O ATOM 1743 CG2 THR A 112 2.926 -7.934 8.479 1.00 0.68 C ATOM 0 H THR A 112 4.138 -8.532 4.882 1.00 0.46 H new ATOM 0 HA THR A 112 2.622 -10.013 6.913 1.00 0.42 H new ATOM 0 HB THR A 112 1.296 -7.861 7.124 1.00 0.45 H new ATOM 0 HG1 THR A 112 2.679 -5.947 6.969 1.00 0.65 H new ATOM 0 HG21 THR A 112 2.663 -7.011 8.995 1.00 0.68 H new ATOM 0 HG22 THR A 112 2.495 -8.782 9.011 1.00 0.68 H new ATOM 0 HG23 THR A 112 4.011 -8.037 8.450 1.00 0.68 H new ATOM 1751 N VAL A 113 0.941 -10.370 5.125 1.00 0.36 N ATOM 1752 CA VAL A 113 -0.062 -10.597 4.100 1.00 0.38 C ATOM 1753 C VAL A 113 -1.313 -9.832 4.554 1.00 0.32 C ATOM 1754 O VAL A 113 -1.261 -9.256 5.637 1.00 0.30 O ATOM 1755 CB VAL A 113 -0.314 -12.120 3.927 1.00 0.45 C ATOM 1756 CG1 VAL A 113 -1.602 -12.573 4.593 1.00 1.52 C ATOM 1757 CG2 VAL A 113 -0.288 -12.511 2.453 1.00 1.18 C ATOM 0 H VAL A 113 1.000 -11.103 5.831 1.00 0.36 H new ATOM 0 HA VAL A 113 0.253 -10.238 3.120 1.00 0.38 H new ATOM 0 HB VAL A 113 0.500 -12.638 4.434 1.00 0.45 H new ATOM 0 HG11 VAL A 113 -1.732 -13.645 4.443 1.00 1.52 H new ATOM 0 HG12 VAL A 113 -1.554 -12.359 5.661 1.00 1.52 H new ATOM 0 HG13 VAL A 113 -2.446 -12.041 4.154 1.00 1.52 H new ATOM 0 HG21 VAL A 113 -0.467 -13.582 2.357 1.00 1.18 H new ATOM 0 HG22 VAL A 113 -1.064 -11.964 1.918 1.00 1.18 H new ATOM 0 HG23 VAL A 113 0.686 -12.267 2.029 1.00 1.18 H new ATOM 1767 N PRO A 114 -2.434 -9.777 3.782 1.00 0.35 N ATOM 1768 CA PRO A 114 -3.629 -9.047 4.178 1.00 0.36 C ATOM 1769 C PRO A 114 -3.649 -8.722 5.669 1.00 0.33 C ATOM 1770 O PRO A 114 -4.128 -9.503 6.492 1.00 0.35 O ATOM 1771 CB PRO A 114 -4.713 -10.035 3.770 1.00 0.43 C ATOM 1772 CG PRO A 114 -4.168 -10.683 2.520 1.00 0.46 C ATOM 1773 CD PRO A 114 -2.673 -10.397 2.478 1.00 0.42 C ATOM 0 HA PRO A 114 -3.730 -8.063 3.720 1.00 0.36 H new ATOM 0 HB2 PRO A 114 -4.897 -10.771 4.553 1.00 0.43 H new ATOM 0 HB3 PRO A 114 -5.660 -9.531 3.577 1.00 0.43 H new ATOM 0 HG2 PRO A 114 -4.354 -11.757 2.531 1.00 0.46 H new ATOM 0 HG3 PRO A 114 -4.661 -10.284 1.634 1.00 0.46 H new ATOM 0 HD2 PRO A 114 -2.089 -11.308 2.348 1.00 0.42 H new ATOM 0 HD3 PRO A 114 -2.410 -9.730 1.657 1.00 0.42 H new ATOM 1781 N HIS A 115 -3.073 -7.564 5.994 1.00 0.33 N ATOM 1782 CA HIS A 115 -2.954 -7.101 7.363 1.00 0.33 C ATOM 1783 C HIS A 115 -4.234 -6.432 7.824 1.00 0.34 C ATOM 1784 O HIS A 115 -4.728 -5.511 7.176 1.00 0.46 O ATOM 1785 CB HIS A 115 -1.787 -6.113 7.447 1.00 0.39 C ATOM 1786 CG HIS A 115 -1.449 -5.658 8.834 1.00 0.44 C ATOM 1787 ND1 HIS A 115 -2.372 -5.116 9.701 1.00 0.97 N ATOM 1788 CD2 HIS A 115 -0.265 -5.645 9.492 1.00 0.76 C ATOM 1789 CE1 HIS A 115 -1.772 -4.787 10.834 1.00 0.87 C ATOM 1790 NE2 HIS A 115 -0.493 -5.100 10.730 1.00 0.67 N ATOM 0 H HIS A 115 -2.676 -6.923 5.307 1.00 0.33 H new ATOM 0 HA HIS A 115 -2.771 -7.955 8.015 1.00 0.33 H new ATOM 0 HB2 HIS A 115 -0.904 -6.576 7.006 1.00 0.39 H new ATOM 0 HB3 HIS A 115 -2.025 -5.239 6.841 1.00 0.39 H new ATOM 0 HD2 HIS A 115 0.682 -5.998 9.112 1.00 0.76 H new ATOM 0 HE1 HIS A 115 -2.246 -4.340 11.695 1.00 0.87 H new ATOM 0 HE2 HIS A 115 0.212 -4.959 11.454 1.00 0.67 H new ATOM 1799 N TYR A 116 -4.758 -6.887 8.952 1.00 0.34 N ATOM 1800 CA TYR A 116 -5.974 -6.305 9.500 1.00 0.42 C ATOM 1801 C TYR A 116 -5.746 -4.826 9.787 1.00 0.43 C ATOM 1802 O TYR A 116 -5.300 -4.451 10.871 1.00 0.49 O ATOM 1803 CB TYR A 116 -6.415 -7.050 10.770 1.00 0.52 C ATOM 1804 CG TYR A 116 -5.281 -7.675 11.570 1.00 0.70 C ATOM 1805 CD1 TYR A 116 -4.113 -6.959 11.812 1.00 1.13 C ATOM 1806 CD2 TYR A 116 -5.372 -8.966 12.080 1.00 0.89 C ATOM 1807 CE1 TYR A 116 -3.072 -7.511 12.533 1.00 1.64 C ATOM 1808 CE2 TYR A 116 -4.334 -9.522 12.804 1.00 1.31 C ATOM 1809 CZ TYR A 116 -3.226 -8.843 13.040 1.00 1.68 C ATOM 1810 OH TYR A 116 -2.153 -9.344 13.745 1.00 2.22 O ATOM 0 H TYR A 116 -4.365 -7.651 9.502 1.00 0.34 H new ATOM 0 HA TYR A 116 -6.775 -6.404 8.768 1.00 0.42 H new ATOM 0 HB2 TYR A 116 -6.954 -6.355 11.413 1.00 0.52 H new ATOM 0 HB3 TYR A 116 -7.118 -7.834 10.489 1.00 0.52 H new ATOM 0 HD1 TYR A 116 -4.018 -5.954 11.429 1.00 1.13 H new ATOM 0 HD2 TYR A 116 -6.268 -9.543 11.907 1.00 0.89 H new ATOM 0 HE1 TYR A 116 -2.165 -6.953 12.710 1.00 1.64 H new ATOM 0 HE2 TYR A 116 -4.431 -10.529 13.183 1.00 1.31 H new ATOM 0 HH TYR A 116 -2.356 -10.254 14.048 1.00 2.22 H new ATOM 1820 N ASP A 117 -6.034 -3.989 8.790 1.00 0.42 N ATOM 1821 CA ASP A 117 -5.836 -2.553 8.911 1.00 0.50 C ATOM 1822 C ASP A 117 -6.356 -1.848 7.666 1.00 0.52 C ATOM 1823 O ASP A 117 -6.785 -0.697 7.711 1.00 0.73 O ATOM 1824 CB ASP A 117 -4.343 -2.260 9.069 1.00 0.52 C ATOM 1825 CG ASP A 117 -4.078 -0.895 9.675 1.00 0.67 C ATOM 1826 OD1 ASP A 117 -4.482 0.114 9.062 1.00 1.07 O ATOM 1827 OD2 ASP A 117 -3.467 -0.837 10.762 1.00 0.87 O ATOM 0 H ASP A 117 -6.406 -4.287 7.888 1.00 0.42 H new ATOM 0 HA ASP A 117 -6.380 -2.190 9.783 1.00 0.50 H new ATOM 0 HB2 ASP A 117 -3.890 -3.027 9.698 1.00 0.52 H new ATOM 0 HB3 ASP A 117 -3.859 -2.321 8.094 1.00 0.52 H new ATOM 1832 N MET A 118 -6.274 -2.554 6.550 1.00 0.38 N ATOM 1833 CA MET A 118 -6.701 -2.037 5.258 1.00 0.39 C ATOM 1834 C MET A 118 -8.179 -2.302 4.987 1.00 0.38 C ATOM 1835 O MET A 118 -8.870 -1.491 4.369 1.00 0.45 O ATOM 1836 CB MET A 118 -5.869 -2.709 4.174 1.00 0.44 C ATOM 1837 CG MET A 118 -6.081 -4.215 4.109 1.00 0.48 C ATOM 1838 SD MET A 118 -7.391 -4.685 2.961 1.00 1.29 S ATOM 1839 CE MET A 118 -6.730 -4.059 1.418 1.00 2.05 C ATOM 0 H MET A 118 -5.908 -3.505 6.514 1.00 0.38 H new ATOM 0 HA MET A 118 -6.557 -0.957 5.260 1.00 0.39 H new ATOM 0 HB2 MET A 118 -6.119 -2.271 3.208 1.00 0.44 H new ATOM 0 HB3 MET A 118 -4.814 -2.504 4.354 1.00 0.44 H new ATOM 0 HG2 MET A 118 -5.150 -4.696 3.808 1.00 0.48 H new ATOM 0 HG3 MET A 118 -6.325 -4.587 5.104 1.00 0.48 H new ATOM 0 HE1 MET A 118 -7.417 -3.323 1.000 1.00 2.05 H new ATOM 0 HE2 MET A 118 -5.763 -3.590 1.600 1.00 2.05 H new ATOM 0 HE3 MET A 118 -6.607 -4.882 0.714 1.00 2.05 H new ATOM 1849 N LYS A 119 -8.635 -3.468 5.419 1.00 0.40 N ATOM 1850 CA LYS A 119 -10.013 -3.899 5.198 1.00 0.47 C ATOM 1851 C LYS A 119 -10.989 -3.170 6.106 1.00 0.50 C ATOM 1852 O LYS A 119 -12.201 -3.360 6.007 1.00 0.80 O ATOM 1853 CB LYS A 119 -10.135 -5.410 5.401 1.00 0.57 C ATOM 1854 CG LYS A 119 -8.828 -6.085 5.798 1.00 0.69 C ATOM 1855 CD LYS A 119 -9.045 -7.522 6.254 1.00 0.80 C ATOM 1856 CE LYS A 119 -9.593 -8.391 5.134 1.00 1.02 C ATOM 1857 NZ LYS A 119 -8.678 -8.430 3.962 1.00 1.93 N ATOM 0 H LYS A 119 -8.065 -4.142 5.931 1.00 0.40 H new ATOM 0 HA LYS A 119 -10.271 -3.650 4.169 1.00 0.47 H new ATOM 0 HB2 LYS A 119 -10.882 -5.605 6.171 1.00 0.57 H new ATOM 0 HB3 LYS A 119 -10.501 -5.863 4.480 1.00 0.57 H new ATOM 0 HG2 LYS A 119 -8.142 -6.073 4.951 1.00 0.69 H new ATOM 0 HG3 LYS A 119 -8.355 -5.517 6.600 1.00 0.69 H new ATOM 0 HD2 LYS A 119 -8.102 -7.938 6.609 1.00 0.80 H new ATOM 0 HD3 LYS A 119 -9.736 -7.536 7.097 1.00 0.80 H new ATOM 0 HE2 LYS A 119 -9.751 -9.404 5.505 1.00 1.02 H new ATOM 0 HE3 LYS A 119 -10.566 -8.010 4.822 1.00 1.02 H new ATOM 0 HZ1 LYS A 119 -8.714 -9.373 3.524 1.00 1.93 H new ATOM 0 HZ2 LYS A 119 -8.973 -7.714 3.267 1.00 1.93 H new ATOM 0 HZ3 LYS A 119 -7.706 -8.230 4.274 1.00 1.93 H new ATOM 1871 N ASN A 120 -10.462 -2.331 6.983 1.00 0.49 N ATOM 1872 CA ASN A 120 -11.299 -1.573 7.898 1.00 0.52 C ATOM 1873 C ASN A 120 -11.016 -0.083 7.751 1.00 0.56 C ATOM 1874 O ASN A 120 -11.099 0.681 8.713 1.00 0.74 O ATOM 1875 CB ASN A 120 -11.073 -2.049 9.337 1.00 0.53 C ATOM 1876 CG ASN A 120 -9.676 -1.785 9.870 1.00 1.17 C ATOM 1877 OD1 ASN A 120 -9.358 -2.144 11.004 1.00 2.11 O ATOM 1878 ND2 ASN A 120 -8.836 -1.163 9.064 1.00 1.30 N ATOM 0 H ASN A 120 -9.461 -2.158 7.080 1.00 0.49 H new ATOM 0 HA ASN A 120 -12.348 -1.741 7.652 1.00 0.52 H new ATOM 0 HB2 ASN A 120 -11.796 -1.558 9.988 1.00 0.53 H new ATOM 0 HB3 ASN A 120 -11.273 -3.119 9.389 1.00 0.53 H new ATOM 0 HD21 ASN A 120 -7.885 -0.964 9.374 1.00 1.30 H new ATOM 0 HD22 ASN A 120 -9.138 -0.882 8.131 1.00 1.30 H new ATOM 1885 N ARG A 121 -10.673 0.309 6.526 1.00 0.49 N ATOM 1886 CA ARG A 121 -10.356 1.691 6.201 1.00 0.58 C ATOM 1887 C ARG A 121 -10.725 1.987 4.752 1.00 0.63 C ATOM 1888 O ARG A 121 -11.539 1.281 4.156 1.00 1.07 O ATOM 1889 CB ARG A 121 -8.862 1.946 6.419 1.00 0.64 C ATOM 1890 CG ARG A 121 -8.403 1.709 7.847 1.00 0.91 C ATOM 1891 CD ARG A 121 -8.880 2.816 8.775 1.00 1.24 C ATOM 1892 NE ARG A 121 -8.460 2.596 10.157 1.00 1.84 N ATOM 1893 CZ ARG A 121 -8.764 3.417 11.157 1.00 2.55 C ATOM 1894 NH1 ARG A 121 -9.487 4.506 10.932 1.00 2.86 N ATOM 1895 NH2 ARG A 121 -8.347 3.152 12.387 1.00 3.50 N ATOM 0 H ARG A 121 -10.608 -0.327 5.731 1.00 0.49 H new ATOM 0 HA ARG A 121 -10.931 2.348 6.853 1.00 0.58 H new ATOM 0 HB2 ARG A 121 -8.291 1.300 5.752 1.00 0.64 H new ATOM 0 HB3 ARG A 121 -8.634 2.975 6.140 1.00 0.64 H new ATOM 0 HG2 ARG A 121 -8.782 0.749 8.198 1.00 0.91 H new ATOM 0 HG3 ARG A 121 -7.315 1.652 7.876 1.00 0.91 H new ATOM 0 HD2 ARG A 121 -8.491 3.773 8.427 1.00 1.24 H new ATOM 0 HD3 ARG A 121 -9.967 2.880 8.733 1.00 1.24 H new ATOM 0 HE ARG A 121 -7.903 1.767 10.366 1.00 1.84 H new ATOM 0 HH11 ARG A 121 -9.812 4.716 9.988 1.00 2.86 H new ATOM 0 HH12 ARG A 121 -9.718 5.133 11.703 1.00 2.86 H new ATOM 0 HH21 ARG A 121 -7.791 2.316 12.568 1.00 3.50 H new ATOM 0 HH22 ARG A 121 -8.582 3.784 13.152 1.00 3.50 H new ATOM 1909 N GLY A 122 -10.124 3.026 4.187 1.00 0.62 N ATOM 1910 CA GLY A 122 -10.408 3.383 2.813 1.00 0.61 C ATOM 1911 C GLY A 122 -9.156 3.646 2.008 1.00 0.56 C ATOM 1912 O GLY A 122 -9.196 3.624 0.782 1.00 0.70 O ATOM 0 H GLY A 122 -9.446 3.627 4.656 1.00 0.62 H new ATOM 0 HA2 GLY A 122 -10.975 2.580 2.343 1.00 0.61 H new ATOM 0 HA3 GLY A 122 -11.039 4.271 2.796 1.00 0.61 H new ATOM 1916 N PHE A 123 -8.040 3.884 2.694 1.00 0.52 N ATOM 1917 CA PHE A 123 -6.786 4.152 2.008 1.00 0.58 C ATOM 1918 C PHE A 123 -6.402 2.970 1.139 1.00 0.42 C ATOM 1919 O PHE A 123 -5.833 3.136 0.064 1.00 0.43 O ATOM 1920 CB PHE A 123 -5.672 4.509 3.006 1.00 0.84 C ATOM 1921 CG PHE A 123 -5.430 3.485 4.085 1.00 1.19 C ATOM 1922 CD1 PHE A 123 -4.895 2.247 3.766 1.00 1.62 C ATOM 1923 CD2 PHE A 123 -5.758 3.747 5.405 1.00 2.11 C ATOM 1924 CE1 PHE A 123 -4.688 1.293 4.743 1.00 2.59 C ATOM 1925 CE2 PHE A 123 -5.550 2.798 6.387 1.00 3.16 C ATOM 1926 CZ PHE A 123 -4.958 1.618 6.090 1.00 3.31 C ATOM 0 H PHE A 123 -7.982 3.896 3.712 1.00 0.52 H new ATOM 0 HA PHE A 123 -6.923 5.018 1.360 1.00 0.58 H new ATOM 0 HB2 PHE A 123 -4.744 4.658 2.453 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -5.919 5.460 3.478 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -4.637 2.026 2.741 1.00 1.62 H new ATOM 0 HD2 PHE A 123 -6.181 4.705 5.670 1.00 2.11 H new ATOM 0 HE1 PHE A 123 -4.324 0.311 4.480 1.00 2.59 H new ATOM 0 HE2 PHE A 123 -5.863 3.000 7.401 1.00 3.16 H new ATOM 0 HZ PHE A 123 -4.694 0.929 6.879 1.00 3.31 H new ATOM 1936 N MET A 124 -6.729 1.778 1.608 1.00 0.37 N ATOM 1937 CA MET A 124 -6.436 0.565 0.858 1.00 0.38 C ATOM 1938 C MET A 124 -7.599 0.138 -0.037 1.00 0.38 C ATOM 1939 O MET A 124 -7.463 0.063 -1.252 1.00 0.57 O ATOM 1940 CB MET A 124 -6.030 -0.574 1.791 1.00 0.50 C ATOM 1941 CG MET A 124 -4.522 -0.764 1.902 1.00 0.90 C ATOM 1942 SD MET A 124 -3.773 -1.431 0.395 1.00 1.99 S ATOM 1943 CE MET A 124 -3.711 0.012 -0.668 1.00 2.44 C ATOM 0 H MET A 124 -7.196 1.622 2.501 1.00 0.37 H new ATOM 0 HA MET A 124 -5.595 0.797 0.205 1.00 0.38 H new ATOM 0 HB2 MET A 124 -6.438 -0.382 2.784 1.00 0.50 H new ATOM 0 HB3 MET A 124 -6.479 -1.501 1.436 1.00 0.50 H new ATOM 0 HG2 MET A 124 -4.058 0.194 2.137 1.00 0.90 H new ATOM 0 HG3 MET A 124 -4.307 -1.435 2.734 1.00 0.90 H new ATOM 0 HE1 MET A 124 -3.058 -0.189 -1.517 1.00 2.44 H new ATOM 0 HE2 MET A 124 -4.714 0.242 -1.028 1.00 2.44 H new ATOM 0 HE3 MET A 124 -3.324 0.862 -0.106 1.00 2.44 H new ATOM 1953 N LEU A 125 -8.728 -0.177 0.587 1.00 0.37 N ATOM 1954 CA LEU A 125 -9.918 -0.650 -0.123 1.00 0.41 C ATOM 1955 C LEU A 125 -10.311 0.208 -1.326 1.00 0.34 C ATOM 1956 O LEU A 125 -10.499 -0.319 -2.424 1.00 0.40 O ATOM 1957 CB LEU A 125 -11.107 -0.727 0.836 1.00 0.53 C ATOM 1958 CG LEU A 125 -10.936 -1.667 2.031 1.00 0.61 C ATOM 1959 CD1 LEU A 125 -12.186 -1.658 2.896 1.00 0.85 C ATOM 1960 CD2 LEU A 125 -10.616 -3.078 1.563 1.00 0.76 C ATOM 0 H LEU A 125 -8.848 -0.113 1.598 1.00 0.37 H new ATOM 0 HA LEU A 125 -9.656 -1.636 -0.507 1.00 0.41 H new ATOM 0 HB2 LEU A 125 -11.312 0.275 1.212 1.00 0.53 H new ATOM 0 HB3 LEU A 125 -11.985 -1.042 0.272 1.00 0.53 H new ATOM 0 HG LEU A 125 -10.099 -1.311 2.632 1.00 0.61 H new ATOM 0 HD11 LEU A 125 -12.048 -2.332 3.742 1.00 0.85 H new ATOM 0 HD12 LEU A 125 -12.367 -0.648 3.263 1.00 0.85 H new ATOM 0 HD13 LEU A 125 -13.040 -1.988 2.305 1.00 0.85 H new ATOM 0 HD21 LEU A 125 -10.498 -3.730 2.428 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -11.429 -3.447 0.938 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -9.691 -3.069 0.987 1.00 0.76 H new ATOM 1972 N TRP A 126 -10.488 1.510 -1.122 1.00 0.31 N ATOM 1973 CA TRP A 126 -10.917 2.384 -2.208 1.00 0.32 C ATOM 1974 C TRP A 126 -9.959 2.351 -3.407 1.00 0.29 C ATOM 1975 O TRP A 126 -10.378 2.026 -4.518 1.00 0.31 O ATOM 1976 CB TRP A 126 -11.108 3.808 -1.690 1.00 0.38 C ATOM 1977 CG TRP A 126 -11.453 4.803 -2.752 1.00 0.46 C ATOM 1978 CD1 TRP A 126 -10.935 6.053 -2.876 1.00 0.46 C ATOM 1979 CD2 TRP A 126 -12.386 4.643 -3.831 1.00 0.93 C ATOM 1980 NE1 TRP A 126 -11.484 6.688 -3.963 1.00 0.54 N ATOM 1981 CE2 TRP A 126 -12.376 5.842 -4.568 1.00 0.94 C ATOM 1982 CE3 TRP A 126 -13.227 3.605 -4.248 1.00 1.45 C ATOM 1983 CZ2 TRP A 126 -13.172 6.031 -5.695 1.00 1.42 C ATOM 1984 CZ3 TRP A 126 -14.015 3.794 -5.367 1.00 1.96 C ATOM 1985 CH2 TRP A 126 -13.984 5.000 -6.079 1.00 1.93 C ATOM 0 H TRP A 126 -10.343 1.978 -0.227 1.00 0.31 H new ATOM 0 HA TRP A 126 -11.873 2.008 -2.573 1.00 0.32 H new ATOM 0 HB2 TRP A 126 -11.897 3.807 -0.938 1.00 0.38 H new ATOM 0 HB3 TRP A 126 -10.193 4.128 -1.191 1.00 0.38 H new ATOM 0 HD1 TRP A 126 -10.198 6.485 -2.215 1.00 0.46 H new ATOM 0 HE1 TRP A 126 -11.264 7.635 -4.270 1.00 0.54 H new ATOM 0 HE3 TRP A 126 -13.259 2.672 -3.704 1.00 1.45 H new ATOM 0 HZ2 TRP A 126 -13.149 6.959 -6.246 1.00 1.42 H new ATOM 0 HZ3 TRP A 126 -14.666 2.998 -5.698 1.00 1.96 H new ATOM 0 HH2 TRP A 126 -14.614 5.118 -6.948 1.00 1.93 H new ATOM 1996 N PRO A 127 -8.667 2.696 -3.224 1.00 0.28 N ATOM 1997 CA PRO A 127 -7.691 2.704 -4.326 1.00 0.29 C ATOM 1998 C PRO A 127 -7.399 1.312 -4.888 1.00 0.28 C ATOM 1999 O PRO A 127 -7.288 1.142 -6.102 1.00 0.31 O ATOM 2000 CB PRO A 127 -6.425 3.296 -3.691 1.00 0.30 C ATOM 2001 CG PRO A 127 -6.892 3.953 -2.440 1.00 0.31 C ATOM 2002 CD PRO A 127 -8.050 3.126 -1.960 1.00 0.29 C ATOM 0 HA PRO A 127 -8.068 3.271 -5.177 1.00 0.29 H new ATOM 0 HB2 PRO A 127 -5.690 2.520 -3.478 1.00 0.30 H new ATOM 0 HB3 PRO A 127 -5.947 4.013 -4.359 1.00 0.30 H new ATOM 0 HG2 PRO A 127 -6.098 3.986 -1.694 1.00 0.31 H new ATOM 0 HG3 PRO A 127 -7.196 4.983 -2.628 1.00 0.31 H new ATOM 0 HD2 PRO A 127 -7.723 2.279 -1.357 1.00 0.29 H new ATOM 0 HD3 PRO A 127 -8.739 3.707 -1.347 1.00 0.29 H new ATOM 2010 N LEU A 128 -7.274 0.322 -4.006 1.00 0.25 N ATOM 2011 CA LEU A 128 -6.995 -1.049 -4.431 1.00 0.26 C ATOM 2012 C LEU A 128 -8.104 -1.546 -5.341 1.00 0.27 C ATOM 2013 O LEU A 128 -7.864 -2.280 -6.301 1.00 0.29 O ATOM 2014 CB LEU A 128 -6.885 -1.966 -3.215 1.00 0.26 C ATOM 2015 CG LEU A 128 -5.788 -3.016 -3.271 1.00 0.29 C ATOM 2016 CD1 LEU A 128 -4.438 -2.384 -2.985 1.00 0.30 C ATOM 2017 CD2 LEU A 128 -6.080 -4.131 -2.280 1.00 0.44 C ATOM 0 H LEU A 128 -7.361 0.442 -2.997 1.00 0.25 H new ATOM 0 HA LEU A 128 -6.050 -1.060 -4.974 1.00 0.26 H new ATOM 0 HB2 LEU A 128 -6.724 -1.348 -2.332 1.00 0.26 H new ATOM 0 HB3 LEU A 128 -7.840 -2.474 -3.080 1.00 0.26 H new ATOM 0 HG LEU A 128 -5.760 -3.443 -4.273 1.00 0.29 H new ATOM 0 HD11 LEU A 128 -3.662 -3.148 -3.029 1.00 0.30 H new ATOM 0 HD12 LEU A 128 -4.232 -1.614 -3.729 1.00 0.30 H new ATOM 0 HD13 LEU A 128 -4.450 -1.935 -1.992 1.00 0.30 H new ATOM 0 HD21 LEU A 128 -5.288 -4.878 -2.329 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -6.129 -3.719 -1.272 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -7.034 -4.597 -2.528 1.00 0.44 H new ATOM 2029 N PHE A 129 -9.318 -1.127 -5.021 1.00 0.28 N ATOM 2030 CA PHE A 129 -10.510 -1.494 -5.781 1.00 0.30 C ATOM 2031 C PHE A 129 -10.323 -1.175 -7.269 1.00 0.30 C ATOM 2032 O PHE A 129 -11.102 -1.607 -8.113 1.00 0.32 O ATOM 2033 CB PHE A 129 -11.714 -0.720 -5.232 1.00 0.36 C ATOM 2034 CG PHE A 129 -13.000 -0.946 -5.982 1.00 0.42 C ATOM 2035 CD1 PHE A 129 -13.609 -2.190 -5.974 1.00 0.47 C ATOM 2036 CD2 PHE A 129 -13.597 0.081 -6.693 1.00 0.48 C ATOM 2037 CE1 PHE A 129 -14.789 -2.404 -6.659 1.00 0.55 C ATOM 2038 CE2 PHE A 129 -14.777 -0.127 -7.379 1.00 0.56 C ATOM 2039 CZ PHE A 129 -15.372 -1.354 -7.372 1.00 0.58 C ATOM 0 H PHE A 129 -9.509 -0.520 -4.224 1.00 0.28 H new ATOM 0 HA PHE A 129 -10.680 -2.566 -5.679 1.00 0.30 H new ATOM 0 HB2 PHE A 129 -11.863 -0.999 -4.189 1.00 0.36 H new ATOM 0 HB3 PHE A 129 -11.482 0.345 -5.247 1.00 0.36 H new ATOM 0 HD1 PHE A 129 -13.156 -3.002 -5.425 1.00 0.47 H new ATOM 0 HD2 PHE A 129 -13.134 1.057 -6.711 1.00 0.48 H new ATOM 0 HE1 PHE A 129 -15.258 -3.377 -6.643 1.00 0.55 H new ATOM 0 HE2 PHE A 129 -15.231 0.687 -7.924 1.00 0.56 H new ATOM 0 HZ PHE A 129 -16.291 -1.513 -7.916 1.00 0.58 H new ATOM 2049 N GLU A 130 -9.295 -0.389 -7.581 1.00 0.29 N ATOM 2050 CA GLU A 130 -9.020 0.008 -8.955 1.00 0.31 C ATOM 2051 C GLU A 130 -7.829 -0.752 -9.537 1.00 0.29 C ATOM 2052 O GLU A 130 -7.794 -1.033 -10.735 1.00 0.32 O ATOM 2053 CB GLU A 130 -8.758 1.513 -9.027 1.00 0.36 C ATOM 2054 CG GLU A 130 -8.491 2.019 -10.438 1.00 0.93 C ATOM 2055 CD GLU A 130 -8.220 3.510 -10.485 1.00 1.41 C ATOM 2056 OE1 GLU A 130 -8.242 4.150 -9.413 1.00 2.43 O ATOM 2057 OE2 GLU A 130 -7.987 4.037 -11.592 1.00 1.52 O ATOM 0 H GLU A 130 -8.638 -0.015 -6.896 1.00 0.29 H new ATOM 0 HA GLU A 130 -9.899 -0.239 -9.550 1.00 0.31 H new ATOM 0 HB2 GLU A 130 -9.618 2.043 -8.617 1.00 0.36 H new ATOM 0 HB3 GLU A 130 -7.903 1.755 -8.395 1.00 0.36 H new ATOM 0 HG2 GLU A 130 -7.637 1.486 -10.855 1.00 0.93 H new ATOM 0 HG3 GLU A 130 -9.349 1.790 -11.070 1.00 0.93 H new ATOM 2064 N ILE A 131 -6.845 -1.063 -8.695 1.00 0.26 N ATOM 2065 CA ILE A 131 -5.654 -1.764 -9.166 1.00 0.27 C ATOM 2066 C ILE A 131 -5.975 -3.213 -9.488 1.00 0.27 C ATOM 2067 O ILE A 131 -5.383 -3.809 -10.387 1.00 0.30 O ATOM 2068 CB ILE A 131 -4.525 -1.701 -8.118 1.00 0.27 C ATOM 2069 CG1 ILE A 131 -4.712 -2.746 -7.002 1.00 0.29 C ATOM 2070 CG2 ILE A 131 -4.487 -0.307 -7.519 1.00 0.32 C ATOM 2071 CD1 ILE A 131 -3.518 -2.869 -6.086 1.00 0.59 C ATOM 0 H ILE A 131 -6.848 -0.845 -7.699 1.00 0.26 H new ATOM 0 HA ILE A 131 -5.315 -1.266 -10.074 1.00 0.27 H new ATOM 0 HB ILE A 131 -3.583 -1.927 -8.618 1.00 0.27 H new ATOM 0 HG12 ILE A 131 -5.588 -2.481 -6.410 1.00 0.29 H new ATOM 0 HG13 ILE A 131 -4.914 -3.717 -7.454 1.00 0.29 H new ATOM 0 HG21 ILE A 131 -3.691 -0.252 -6.776 1.00 0.32 H new ATOM 0 HG22 ILE A 131 -4.299 0.423 -8.307 1.00 0.32 H new ATOM 0 HG23 ILE A 131 -5.443 -0.089 -7.043 1.00 0.32 H new ATOM 0 HD11 ILE A 131 -3.720 -3.622 -5.325 1.00 0.59 H new ATOM 0 HD12 ILE A 131 -2.643 -3.164 -6.666 1.00 0.59 H new ATOM 0 HD13 ILE A 131 -3.328 -1.909 -5.605 1.00 0.59 H new ATOM 2083 N ALA A 132 -6.952 -3.746 -8.770 1.00 0.24 N ATOM 2084 CA ALA A 132 -7.415 -5.117 -8.971 1.00 0.25 C ATOM 2085 C ALA A 132 -8.380 -5.538 -7.867 1.00 0.23 C ATOM 2086 O ALA A 132 -7.976 -6.108 -6.857 1.00 0.28 O ATOM 2087 CB ALA A 132 -6.247 -6.090 -9.053 1.00 0.30 C ATOM 0 H ALA A 132 -7.447 -3.245 -8.033 1.00 0.24 H new ATOM 0 HA ALA A 132 -7.947 -5.144 -9.922 1.00 0.25 H new ATOM 0 HB1 ALA A 132 -6.626 -7.101 -9.203 1.00 0.30 H new ATOM 0 HB2 ALA A 132 -5.603 -5.816 -9.889 1.00 0.30 H new ATOM 0 HB3 ALA A 132 -5.675 -6.050 -8.126 1.00 0.30 H new ATOM 2093 N PRO A 133 -9.674 -5.250 -8.037 1.00 0.25 N ATOM 2094 CA PRO A 133 -10.696 -5.581 -7.056 1.00 0.31 C ATOM 2095 C PRO A 133 -11.379 -6.914 -7.344 1.00 0.35 C ATOM 2096 O PRO A 133 -12.448 -7.206 -6.806 1.00 0.45 O ATOM 2097 CB PRO A 133 -11.654 -4.429 -7.247 1.00 0.37 C ATOM 2098 CG PRO A 133 -11.673 -4.245 -8.727 1.00 0.37 C ATOM 2099 CD PRO A 133 -10.266 -4.553 -9.196 1.00 0.29 C ATOM 0 HA PRO A 133 -10.308 -5.700 -6.044 1.00 0.31 H new ATOM 0 HB2 PRO A 133 -12.645 -4.660 -6.857 1.00 0.37 H new ATOM 0 HB3 PRO A 133 -11.311 -3.531 -6.734 1.00 0.37 H new ATOM 0 HG2 PRO A 133 -12.397 -4.912 -9.195 1.00 0.37 H new ATOM 0 HG3 PRO A 133 -11.960 -3.227 -8.991 1.00 0.37 H new ATOM 0 HD2 PRO A 133 -10.266 -5.181 -10.087 1.00 0.29 H new ATOM 0 HD3 PRO A 133 -9.716 -3.646 -9.445 1.00 0.29 H new ATOM 2107 N GLU A 134 -10.744 -7.723 -8.183 1.00 0.32 N ATOM 2108 CA GLU A 134 -11.278 -9.033 -8.532 1.00 0.37 C ATOM 2109 C GLU A 134 -10.528 -10.078 -7.738 1.00 0.37 C ATOM 2110 O GLU A 134 -10.609 -11.279 -7.998 1.00 0.52 O ATOM 2111 CB GLU A 134 -11.139 -9.295 -10.034 1.00 0.44 C ATOM 2112 CG GLU A 134 -9.705 -9.233 -10.535 1.00 0.46 C ATOM 2113 CD GLU A 134 -9.596 -9.487 -12.026 1.00 0.54 C ATOM 2114 OE1 GLU A 134 -10.642 -9.714 -12.669 1.00 1.14 O ATOM 2115 OE2 GLU A 134 -8.463 -9.457 -12.553 1.00 0.87 O ATOM 0 H GLU A 134 -9.858 -7.495 -8.634 1.00 0.32 H new ATOM 0 HA GLU A 134 -12.340 -9.074 -8.291 1.00 0.37 H new ATOM 0 HB2 GLU A 134 -11.552 -10.278 -10.262 1.00 0.44 H new ATOM 0 HB3 GLU A 134 -11.737 -8.564 -10.578 1.00 0.44 H new ATOM 0 HG2 GLU A 134 -9.286 -8.253 -10.306 1.00 0.46 H new ATOM 0 HG3 GLU A 134 -9.105 -9.969 -10.000 1.00 0.46 H new ATOM 2122 N LEU A 135 -9.791 -9.573 -6.767 1.00 0.30 N ATOM 2123 CA LEU A 135 -8.981 -10.382 -5.886 1.00 0.35 C ATOM 2124 C LEU A 135 -9.851 -11.127 -4.889 1.00 0.34 C ATOM 2125 O LEU A 135 -10.838 -10.590 -4.397 1.00 0.39 O ATOM 2126 CB LEU A 135 -8.007 -9.458 -5.163 1.00 0.41 C ATOM 2127 CG LEU A 135 -6.851 -10.127 -4.429 1.00 0.69 C ATOM 2128 CD1 LEU A 135 -7.319 -10.737 -3.116 1.00 1.27 C ATOM 2129 CD2 LEU A 135 -6.187 -11.182 -5.301 1.00 1.41 C ATOM 0 H LEU A 135 -9.740 -8.574 -6.568 1.00 0.30 H new ATOM 0 HA LEU A 135 -8.434 -11.129 -6.462 1.00 0.35 H new ATOM 0 HB2 LEU A 135 -7.591 -8.763 -5.892 1.00 0.41 H new ATOM 0 HB3 LEU A 135 -8.571 -8.865 -4.443 1.00 0.41 H new ATOM 0 HG LEU A 135 -6.112 -9.358 -4.204 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -6.475 -11.208 -2.612 1.00 1.27 H new ATOM 0 HD12 LEU A 135 -7.732 -9.955 -2.478 1.00 1.27 H new ATOM 0 HD13 LEU A 135 -8.086 -11.485 -3.315 1.00 1.27 H new ATOM 0 HD21 LEU A 135 -5.366 -11.643 -4.752 1.00 1.41 H new ATOM 0 HD22 LEU A 135 -6.918 -11.945 -5.569 1.00 1.41 H new ATOM 0 HD23 LEU A 135 -5.801 -10.715 -6.207 1.00 1.41 H new ATOM 2141 N VAL A 136 -9.476 -12.362 -4.590 1.00 0.36 N ATOM 2142 CA VAL A 136 -10.221 -13.175 -3.645 1.00 0.38 C ATOM 2143 C VAL A 136 -9.274 -13.957 -2.738 1.00 0.42 C ATOM 2144 O VAL A 136 -8.167 -14.309 -3.143 1.00 0.53 O ATOM 2145 CB VAL A 136 -11.169 -14.149 -4.373 1.00 0.41 C ATOM 2146 CG1 VAL A 136 -10.398 -15.013 -5.359 1.00 0.46 C ATOM 2147 CG2 VAL A 136 -11.925 -15.016 -3.377 1.00 0.44 C ATOM 0 H VAL A 136 -8.658 -12.822 -4.990 1.00 0.36 H new ATOM 0 HA VAL A 136 -10.820 -12.500 -3.034 1.00 0.38 H new ATOM 0 HB VAL A 136 -11.897 -13.559 -4.930 1.00 0.41 H new ATOM 0 HG11 VAL A 136 -11.086 -15.693 -5.862 1.00 0.46 H new ATOM 0 HG12 VAL A 136 -9.912 -14.376 -6.098 1.00 0.46 H new ATOM 0 HG13 VAL A 136 -9.643 -15.590 -4.825 1.00 0.46 H new ATOM 0 HG21 VAL A 136 -12.587 -15.695 -3.915 1.00 0.44 H new ATOM 0 HG22 VAL A 136 -11.215 -15.594 -2.786 1.00 0.44 H new ATOM 0 HG23 VAL A 136 -12.515 -14.381 -2.716 1.00 0.44 H new ATOM 2157 N PHE A 137 -9.713 -14.225 -1.511 1.00 0.46 N ATOM 2158 CA PHE A 137 -8.899 -14.966 -0.555 1.00 0.53 C ATOM 2159 C PHE A 137 -9.108 -16.467 -0.733 1.00 0.57 C ATOM 2160 O PHE A 137 -10.038 -16.882 -1.426 1.00 0.60 O ATOM 2161 CB PHE A 137 -9.257 -14.547 0.878 1.00 0.59 C ATOM 2162 CG PHE A 137 -8.791 -13.163 1.245 1.00 0.58 C ATOM 2163 CD1 PHE A 137 -9.117 -12.082 0.444 1.00 0.55 C ATOM 2164 CD2 PHE A 137 -8.028 -12.946 2.381 1.00 0.66 C ATOM 2165 CE1 PHE A 137 -8.694 -10.808 0.770 1.00 0.59 C ATOM 2166 CE2 PHE A 137 -7.601 -11.673 2.712 1.00 0.68 C ATOM 2167 CZ PHE A 137 -7.926 -10.614 1.935 1.00 0.64 C ATOM 0 H PHE A 137 -10.626 -13.940 -1.157 1.00 0.46 H new ATOM 0 HA PHE A 137 -7.849 -14.737 -0.737 1.00 0.53 H new ATOM 0 HB2 PHE A 137 -10.339 -14.600 1.002 1.00 0.59 H new ATOM 0 HB3 PHE A 137 -8.821 -15.263 1.575 1.00 0.59 H new ATOM 0 HD1 PHE A 137 -9.709 -12.236 -0.446 1.00 0.55 H new ATOM 0 HD2 PHE A 137 -7.764 -13.780 3.015 1.00 0.66 H new ATOM 0 HE1 PHE A 137 -8.949 -9.970 0.139 1.00 0.59 H new ATOM 0 HE2 PHE A 137 -7.003 -11.523 3.599 1.00 0.68 H new ATOM 0 HZ PHE A 137 -7.597 -9.622 2.207 1.00 0.64 H new ATOM 2177 N PRO A 138 -8.254 -17.312 -0.109 1.00 0.60 N ATOM 2178 CA PRO A 138 -8.380 -18.768 -0.212 1.00 0.66 C ATOM 2179 C PRO A 138 -9.818 -19.222 0.011 1.00 0.73 C ATOM 2180 O PRO A 138 -10.214 -20.314 -0.397 1.00 0.78 O ATOM 2181 CB PRO A 138 -7.476 -19.280 0.908 1.00 0.70 C ATOM 2182 CG PRO A 138 -6.437 -18.225 1.063 1.00 0.75 C ATOM 2183 CD PRO A 138 -7.112 -16.917 0.743 1.00 0.62 C ATOM 0 HA PRO A 138 -8.104 -19.143 -1.198 1.00 0.66 H new ATOM 0 HB2 PRO A 138 -8.034 -19.426 1.833 1.00 0.70 H new ATOM 0 HB3 PRO A 138 -7.030 -20.241 0.650 1.00 0.70 H new ATOM 0 HG2 PRO A 138 -6.038 -18.219 2.077 1.00 0.75 H new ATOM 0 HG3 PRO A 138 -5.598 -18.404 0.391 1.00 0.75 H new ATOM 0 HD2 PRO A 138 -7.444 -16.406 1.647 1.00 0.62 H new ATOM 0 HD3 PRO A 138 -6.439 -16.236 0.221 1.00 0.62 H new ATOM 2191 N ASP A 139 -10.593 -18.356 0.659 1.00 0.77 N ATOM 2192 CA ASP A 139 -11.993 -18.628 0.947 1.00 0.87 C ATOM 2193 C ASP A 139 -12.902 -18.081 -0.152 1.00 0.80 C ATOM 2194 O ASP A 139 -13.259 -18.795 -1.088 1.00 1.03 O ATOM 2195 CB ASP A 139 -12.372 -18.002 2.289 1.00 0.92 C ATOM 2196 CG ASP A 139 -11.825 -18.779 3.471 1.00 1.33 C ATOM 2197 OD1 ASP A 139 -12.168 -19.973 3.603 1.00 1.72 O ATOM 2198 OD2 ASP A 139 -11.053 -18.196 4.259 1.00 1.91 O ATOM 0 H ASP A 139 -10.267 -17.450 0.997 1.00 0.77 H new ATOM 0 HA ASP A 139 -12.128 -19.709 0.992 1.00 0.87 H new ATOM 0 HB2 ASP A 139 -11.998 -16.979 2.327 1.00 0.92 H new ATOM 0 HB3 ASP A 139 -13.458 -17.947 2.366 1.00 0.92 H new ATOM 2203 N GLY A 140 -13.277 -16.811 -0.021 1.00 0.59 N ATOM 2204 CA GLY A 140 -14.147 -16.182 -1.001 1.00 0.59 C ATOM 2205 C GLY A 140 -14.108 -14.663 -0.943 1.00 0.61 C ATOM 2206 O GLY A 140 -14.465 -13.993 -1.913 1.00 0.95 O ATOM 0 H GLY A 140 -12.993 -16.205 0.749 1.00 0.59 H new ATOM 0 HA2 GLY A 140 -13.857 -16.509 -1.999 1.00 0.59 H new ATOM 0 HA3 GLY A 140 -15.171 -16.520 -0.840 1.00 0.59 H new ATOM 2210 N GLU A 141 -13.681 -14.119 0.196 1.00 0.51 N ATOM 2211 CA GLU A 141 -13.595 -12.676 0.384 1.00 0.62 C ATOM 2212 C GLU A 141 -12.899 -12.007 -0.800 1.00 0.53 C ATOM 2213 O GLU A 141 -11.977 -12.571 -1.382 1.00 0.59 O ATOM 2214 CB GLU A 141 -12.831 -12.372 1.672 1.00 0.86 C ATOM 2215 CG GLU A 141 -12.829 -10.904 2.051 1.00 1.38 C ATOM 2216 CD GLU A 141 -12.125 -10.641 3.370 1.00 2.15 C ATOM 2217 OE1 GLU A 141 -11.619 -11.608 3.974 1.00 2.53 O ATOM 2218 OE2 GLU A 141 -12.082 -9.467 3.796 1.00 2.76 O ATOM 0 H GLU A 141 -13.388 -14.663 1.007 1.00 0.51 H new ATOM 0 HA GLU A 141 -14.607 -12.277 0.453 1.00 0.62 H new ATOM 0 HB2 GLU A 141 -13.269 -12.947 2.488 1.00 0.86 H new ATOM 0 HB3 GLU A 141 -11.801 -12.710 1.561 1.00 0.86 H new ATOM 0 HG2 GLU A 141 -12.342 -10.330 1.263 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -13.857 -10.548 2.115 1.00 1.38 H new ATOM 2225 N MET A 142 -13.350 -10.807 -1.152 1.00 0.48 N ATOM 2226 CA MET A 142 -12.768 -10.068 -2.272 1.00 0.41 C ATOM 2227 C MET A 142 -12.646 -8.585 -1.945 1.00 0.37 C ATOM 2228 O MET A 142 -13.226 -8.112 -0.968 1.00 0.39 O ATOM 2229 CB MET A 142 -13.626 -10.250 -3.527 1.00 0.42 C ATOM 2230 CG MET A 142 -13.734 -11.693 -3.994 1.00 0.49 C ATOM 2231 SD MET A 142 -14.689 -11.861 -5.516 1.00 0.55 S ATOM 2232 CE MET A 142 -16.267 -11.183 -5.008 1.00 1.68 C ATOM 0 H MET A 142 -14.115 -10.325 -0.680 1.00 0.48 H new ATOM 0 HA MET A 142 -11.769 -10.465 -2.455 1.00 0.41 H new ATOM 0 HB2 MET A 142 -14.627 -9.866 -3.330 1.00 0.42 H new ATOM 0 HB3 MET A 142 -13.206 -9.648 -4.333 1.00 0.42 H new ATOM 0 HG2 MET A 142 -12.733 -12.096 -4.151 1.00 0.49 H new ATOM 0 HG3 MET A 142 -14.199 -12.291 -3.210 1.00 0.49 H new ATOM 0 HE1 MET A 142 -17.044 -11.514 -5.697 1.00 1.68 H new ATOM 0 HE2 MET A 142 -16.504 -11.528 -4.001 1.00 1.68 H new ATOM 0 HE3 MET A 142 -16.215 -10.094 -5.016 1.00 1.68 H new ATOM 2242 N LEU A 143 -11.905 -7.841 -2.772 1.00 0.38 N ATOM 2243 CA LEU A 143 -11.734 -6.425 -2.566 1.00 0.39 C ATOM 2244 C LEU A 143 -13.068 -5.728 -2.778 1.00 0.41 C ATOM 2245 O LEU A 143 -13.308 -4.633 -2.270 1.00 0.50 O ATOM 2246 CB LEU A 143 -10.687 -5.914 -3.546 1.00 0.44 C ATOM 2247 CG LEU A 143 -10.153 -4.515 -3.282 1.00 0.51 C ATOM 2248 CD1 LEU A 143 -9.623 -4.395 -1.860 1.00 1.38 C ATOM 2249 CD2 LEU A 143 -9.060 -4.206 -4.283 1.00 1.56 C ATOM 0 H LEU A 143 -11.418 -8.210 -3.589 1.00 0.38 H new ATOM 0 HA LEU A 143 -11.396 -6.218 -1.551 1.00 0.39 H new ATOM 0 HB2 LEU A 143 -9.847 -6.608 -3.544 1.00 0.44 H new ATOM 0 HB3 LEU A 143 -11.115 -5.935 -4.548 1.00 0.44 H new ATOM 0 HG LEU A 143 -10.964 -3.796 -3.394 1.00 0.51 H new ATOM 0 HD11 LEU A 143 -9.247 -3.385 -1.696 1.00 1.38 H new ATOM 0 HD12 LEU A 143 -10.427 -4.602 -1.153 1.00 1.38 H new ATOM 0 HD13 LEU A 143 -8.815 -5.112 -1.711 1.00 1.38 H new ATOM 0 HD21 LEU A 143 -8.672 -3.204 -4.100 1.00 1.56 H new ATOM 0 HD22 LEU A 143 -8.254 -4.932 -4.177 1.00 1.56 H new ATOM 0 HD23 LEU A 143 -9.466 -4.259 -5.293 1.00 1.56 H new ATOM 2261 N ARG A 144 -13.941 -6.401 -3.521 1.00 0.39 N ATOM 2262 CA ARG A 144 -15.274 -5.888 -3.801 1.00 0.47 C ATOM 2263 C ARG A 144 -16.219 -6.236 -2.656 1.00 0.49 C ATOM 2264 O ARG A 144 -17.099 -5.451 -2.299 1.00 0.56 O ATOM 2265 CB ARG A 144 -15.801 -6.467 -5.119 1.00 0.54 C ATOM 2266 CG ARG A 144 -17.212 -6.018 -5.467 1.00 0.77 C ATOM 2267 CD ARG A 144 -17.312 -4.501 -5.553 1.00 0.88 C ATOM 2268 NE ARG A 144 -18.644 -4.058 -5.955 1.00 1.47 N ATOM 2269 CZ ARG A 144 -19.191 -4.326 -7.139 1.00 2.12 C ATOM 2270 NH1 ARG A 144 -18.514 -5.017 -8.049 1.00 2.68 N ATOM 2271 NH2 ARG A 144 -20.415 -3.897 -7.414 1.00 2.83 N ATOM 0 H ARG A 144 -13.745 -7.309 -3.942 1.00 0.39 H new ATOM 0 HA ARG A 144 -15.220 -4.803 -3.896 1.00 0.47 H new ATOM 0 HB2 ARG A 144 -15.128 -6.178 -5.927 1.00 0.54 H new ATOM 0 HB3 ARG A 144 -15.780 -7.555 -5.061 1.00 0.54 H new ATOM 0 HG2 ARG A 144 -17.510 -6.457 -6.419 1.00 0.77 H new ATOM 0 HG3 ARG A 144 -17.908 -6.387 -4.714 1.00 0.77 H new ATOM 0 HD2 ARG A 144 -17.063 -4.067 -4.585 1.00 0.88 H new ATOM 0 HD3 ARG A 144 -16.577 -4.130 -6.267 1.00 0.88 H new ATOM 0 HE ARG A 144 -19.188 -3.510 -5.289 1.00 1.47 H new ATOM 0 HH11 ARG A 144 -17.571 -5.345 -7.842 1.00 2.68 H new ATOM 0 HH12 ARG A 144 -18.938 -5.220 -8.955 1.00 2.68 H new ATOM 0 HH21 ARG A 144 -20.936 -3.362 -6.719 1.00 2.83 H new ATOM 0 HH22 ARG A 144 -20.835 -4.101 -8.321 1.00 2.83 H new ATOM 2285 N GLN A 145 -16.021 -7.418 -2.082 1.00 0.47 N ATOM 2286 CA GLN A 145 -16.842 -7.883 -0.970 1.00 0.52 C ATOM 2287 C GLN A 145 -16.580 -7.049 0.279 1.00 0.48 C ATOM 2288 O GLN A 145 -17.503 -6.743 1.035 1.00 0.56 O ATOM 2289 CB GLN A 145 -16.568 -9.368 -0.697 1.00 0.57 C ATOM 2290 CG GLN A 145 -17.256 -9.914 0.549 1.00 0.64 C ATOM 2291 CD GLN A 145 -16.497 -9.620 1.835 1.00 0.60 C ATOM 2292 OE1 GLN A 145 -16.991 -9.888 2.930 1.00 0.67 O ATOM 2293 NE2 GLN A 145 -15.285 -9.083 1.710 1.00 0.52 N ATOM 0 H GLN A 145 -15.295 -8.074 -2.370 1.00 0.47 H new ATOM 0 HA GLN A 145 -17.892 -7.766 -1.240 1.00 0.52 H new ATOM 0 HB2 GLN A 145 -16.891 -9.950 -1.560 1.00 0.57 H new ATOM 0 HB3 GLN A 145 -15.492 -9.515 -0.598 1.00 0.57 H new ATOM 0 HG2 GLN A 145 -18.256 -9.486 0.620 1.00 0.64 H new ATOM 0 HG3 GLN A 145 -17.377 -10.992 0.445 1.00 0.64 H new ATOM 0 HE21 GLN A 145 -14.912 -8.876 0.783 1.00 0.52 H new ATOM 0 HE22 GLN A 145 -14.730 -8.879 2.541 1.00 0.52 H new ATOM 2302 N ILE A 146 -15.319 -6.680 0.488 1.00 0.40 N ATOM 2303 CA ILE A 146 -14.944 -5.883 1.648 1.00 0.40 C ATOM 2304 C ILE A 146 -15.562 -4.491 1.566 1.00 0.43 C ATOM 2305 O ILE A 146 -15.975 -3.927 2.574 1.00 0.53 O ATOM 2306 CB ILE A 146 -13.412 -5.752 1.784 1.00 0.42 C ATOM 2307 CG1 ILE A 146 -12.767 -7.138 1.857 1.00 0.43 C ATOM 2308 CG2 ILE A 146 -13.064 -4.937 3.022 1.00 0.50 C ATOM 2309 CD1 ILE A 146 -11.252 -7.102 1.904 1.00 0.78 C ATOM 0 H ILE A 146 -14.543 -6.920 -0.129 1.00 0.40 H new ATOM 0 HA ILE A 146 -15.325 -6.403 2.527 1.00 0.40 H new ATOM 0 HB ILE A 146 -13.023 -5.235 0.907 1.00 0.42 H new ATOM 0 HG12 ILE A 146 -13.137 -7.655 2.742 1.00 0.43 H new ATOM 0 HG13 ILE A 146 -13.081 -7.722 0.992 1.00 0.43 H new ATOM 0 HG21 ILE A 146 -11.981 -4.851 3.108 1.00 0.50 H new ATOM 0 HG22 ILE A 146 -13.502 -3.942 2.938 1.00 0.50 H new ATOM 0 HG23 ILE A 146 -13.460 -5.434 3.908 1.00 0.50 H new ATOM 0 HD11 ILE A 146 -10.865 -8.120 1.955 1.00 0.78 H new ATOM 0 HD12 ILE A 146 -10.872 -6.614 1.007 1.00 0.78 H new ATOM 0 HD13 ILE A 146 -10.928 -6.547 2.784 1.00 0.78 H new ATOM 2321 N LEU A 147 -15.631 -3.949 0.352 1.00 0.42 N ATOM 2322 CA LEU A 147 -16.215 -2.631 0.145 1.00 0.50 C ATOM 2323 C LEU A 147 -17.736 -2.696 0.223 1.00 0.59 C ATOM 2324 O LEU A 147 -18.402 -1.681 0.420 1.00 0.72 O ATOM 2325 CB LEU A 147 -15.790 -2.059 -1.210 1.00 0.55 C ATOM 2326 CG LEU A 147 -14.368 -1.502 -1.261 1.00 0.61 C ATOM 2327 CD1 LEU A 147 -14.015 -1.077 -2.678 1.00 0.76 C ATOM 2328 CD2 LEU A 147 -14.225 -0.329 -0.304 1.00 0.62 C ATOM 0 H LEU A 147 -15.291 -4.401 -0.497 1.00 0.42 H new ATOM 0 HA LEU A 147 -15.850 -1.975 0.935 1.00 0.50 H new ATOM 0 HB2 LEU A 147 -15.884 -2.841 -1.963 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -16.485 -1.266 -1.486 1.00 0.55 H new ATOM 0 HG LEU A 147 -13.677 -2.287 -0.953 1.00 0.61 H new ATOM 0 HD11 LEU A 147 -12.999 -0.683 -2.697 1.00 0.76 H new ATOM 0 HD12 LEU A 147 -14.083 -1.938 -3.344 1.00 0.76 H new ATOM 0 HD13 LEU A 147 -14.710 -0.306 -3.010 1.00 0.76 H new ATOM 0 HD21 LEU A 147 -13.207 0.057 -0.351 1.00 0.62 H new ATOM 0 HD22 LEU A 147 -14.925 0.458 -0.586 1.00 0.62 H new ATOM 0 HD23 LEU A 147 -14.441 -0.660 0.712 1.00 0.62 H new ATOM 2340 N HIS A 148 -18.278 -3.899 0.069 1.00 0.59 N ATOM 2341 CA HIS A 148 -19.723 -4.098 0.128 1.00 0.73 C ATOM 2342 C HIS A 148 -20.216 -3.929 1.561 1.00 0.79 C ATOM 2343 O HIS A 148 -21.321 -3.440 1.797 1.00 0.90 O ATOM 2344 CB HIS A 148 -20.085 -5.490 -0.400 1.00 0.77 C ATOM 2345 CG HIS A 148 -21.554 -5.692 -0.622 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -22.090 -6.891 -1.047 1.00 1.36 N ATOM 2347 CD2 HIS A 148 -22.602 -4.843 -0.491 1.00 1.58 C ATOM 2348 CE1 HIS A 148 -23.400 -6.770 -1.164 1.00 1.28 C ATOM 2349 NE2 HIS A 148 -23.735 -5.536 -0.833 1.00 1.34 N ATOM 0 H HIS A 148 -17.741 -4.750 -0.097 1.00 0.59 H new ATOM 0 HA HIS A 148 -20.209 -3.351 -0.499 1.00 0.73 H new ATOM 0 HB2 HIS A 148 -19.559 -5.660 -1.339 1.00 0.77 H new ATOM 0 HB3 HIS A 148 -19.728 -6.240 0.306 1.00 0.77 H new ATOM 0 HD2 HIS A 148 -22.554 -3.811 -0.176 1.00 1.58 H new ATOM 0 HE1 HIS A 148 -24.081 -7.548 -1.477 1.00 1.28 H new ATOM 0 HE2 HIS A 148 -24.683 -5.159 -0.832 1.00 1.34 H new ATOM 2358 N THR A 149 -19.381 -4.332 2.514 1.00 0.77 N ATOM 2359 CA THR A 149 -19.717 -4.222 3.928 1.00 0.88 C ATOM 2360 C THR A 149 -19.176 -2.917 4.508 1.00 0.86 C ATOM 2361 O THR A 149 -19.860 -2.233 5.269 1.00 0.94 O ATOM 2362 CB THR A 149 -19.150 -5.415 4.700 1.00 0.90 C ATOM 2363 OG1 THR A 149 -19.686 -6.630 4.207 1.00 1.10 O ATOM 2364 CG2 THR A 149 -19.433 -5.360 6.186 1.00 1.18 C ATOM 0 H THR A 149 -18.464 -4.739 2.331 1.00 0.77 H new ATOM 0 HA THR A 149 -20.803 -4.221 4.025 1.00 0.88 H new ATOM 0 HB THR A 149 -18.071 -5.367 4.551 1.00 0.90 H new ATOM 0 HG1 THR A 149 -19.311 -7.382 4.712 1.00 1.10 H new ATOM 0 HG21 THR A 149 -19.003 -6.236 6.671 1.00 1.18 H new ATOM 0 HG22 THR A 149 -18.990 -4.458 6.608 1.00 1.18 H new ATOM 0 HG23 THR A 149 -20.510 -5.346 6.351 1.00 1.18 H new ATOM 2372 N ARG A 150 -17.946 -2.580 4.136 1.00 0.86 N ATOM 2373 CA ARG A 150 -17.305 -1.358 4.608 1.00 0.93 C ATOM 2374 C ARG A 150 -17.850 -0.140 3.869 1.00 0.95 C ATOM 2375 O ARG A 150 -18.394 0.779 4.483 1.00 1.05 O ATOM 2376 CB ARG A 150 -15.788 -1.441 4.413 1.00 0.99 C ATOM 2377 CG ARG A 150 -15.118 -2.566 5.193 1.00 0.96 C ATOM 2378 CD ARG A 150 -15.149 -2.318 6.694 1.00 1.26 C ATOM 2379 NE ARG A 150 -16.498 -2.404 7.245 1.00 2.01 N ATOM 2380 CZ ARG A 150 -16.785 -2.194 8.527 1.00 2.55 C ATOM 2381 NH1 ARG A 150 -15.822 -1.886 9.385 1.00 2.55 N ATOM 2382 NH2 ARG A 150 -18.038 -2.292 8.951 1.00 3.55 N ATOM 0 H ARG A 150 -17.371 -3.139 3.506 1.00 0.86 H new ATOM 0 HA ARG A 150 -17.525 -1.252 5.670 1.00 0.93 H new ATOM 0 HB2 ARG A 150 -15.576 -1.573 3.352 1.00 0.99 H new ATOM 0 HB3 ARG A 150 -15.342 -0.492 4.711 1.00 0.99 H new ATOM 0 HG2 ARG A 150 -15.618 -3.509 4.971 1.00 0.96 H new ATOM 0 HG3 ARG A 150 -14.084 -2.669 4.864 1.00 0.96 H new ATOM 0 HD2 ARG A 150 -14.509 -3.046 7.193 1.00 1.26 H new ATOM 0 HD3 ARG A 150 -14.736 -1.332 6.905 1.00 1.26 H new ATOM 0 HE ARG A 150 -17.263 -2.638 6.612 1.00 2.01 H new ATOM 0 HH11 ARG A 150 -14.857 -1.809 9.063 1.00 2.55 H new ATOM 0 HH12 ARG A 150 -16.046 -1.726 10.367 1.00 2.55 H new ATOM 0 HH21 ARG A 150 -18.782 -2.528 8.294 1.00 3.55 H new ATOM 0 HH22 ARG A 150 -18.258 -2.131 9.934 1.00 3.55 H new ATOM 2396 N ALA A 151 -17.691 -0.141 2.546 1.00 0.94 N ATOM 2397 CA ALA A 151 -18.156 0.961 1.708 1.00 1.04 C ATOM 2398 C ALA A 151 -17.397 2.245 2.018 1.00 1.11 C ATOM 2399 O ALA A 151 -17.987 3.244 2.431 1.00 1.59 O ATOM 2400 CB ALA A 151 -19.656 1.167 1.880 1.00 1.61 C ATOM 0 H ALA A 151 -17.241 -0.897 2.030 1.00 0.94 H new ATOM 0 HA ALA A 151 -17.960 0.700 0.668 1.00 1.04 H new ATOM 0 HB1 ALA A 151 -19.985 1.992 1.248 1.00 1.61 H new ATOM 0 HB2 ALA A 151 -20.183 0.257 1.593 1.00 1.61 H new ATOM 0 HB3 ALA A 151 -19.874 1.399 2.922 1.00 1.61 H new ATOM 2406 N PHE A 152 -16.084 2.211 1.811 1.00 1.09 N ATOM 2407 CA PHE A 152 -15.241 3.368 2.064 1.00 1.61 C ATOM 2408 C PHE A 152 -14.771 3.993 0.755 1.00 1.38 C ATOM 2409 O PHE A 152 -13.572 4.063 0.477 1.00 1.90 O ATOM 2410 CB PHE A 152 -14.041 2.979 2.937 1.00 2.51 C ATOM 2411 CG PHE A 152 -14.391 2.696 4.377 1.00 3.40 C ATOM 2412 CD1 PHE A 152 -15.521 1.960 4.693 1.00 3.42 C ATOM 2413 CD2 PHE A 152 -13.597 3.165 5.410 1.00 4.44 C ATOM 2414 CE1 PHE A 152 -15.852 1.696 6.009 1.00 4.40 C ATOM 2415 CE2 PHE A 152 -13.923 2.904 6.729 1.00 5.41 C ATOM 2416 CZ PHE A 152 -15.025 2.182 7.037 1.00 5.37 C ATOM 0 H PHE A 152 -15.583 1.392 1.468 1.00 1.09 H new ATOM 0 HA PHE A 152 -15.833 4.109 2.601 1.00 1.61 H new ATOM 0 HB2 PHE A 152 -13.566 2.096 2.510 1.00 2.51 H new ATOM 0 HB3 PHE A 152 -13.306 3.783 2.905 1.00 2.51 H new ATOM 0 HD1 PHE A 152 -16.152 1.587 3.900 1.00 3.42 H new ATOM 0 HD2 PHE A 152 -12.712 3.742 5.183 1.00 4.44 H new ATOM 0 HE1 PHE A 152 -16.736 1.123 6.245 1.00 4.40 H new ATOM 0 HE2 PHE A 152 -13.292 3.280 7.520 1.00 5.41 H new ATOM 0 HZ PHE A 152 -15.269 1.980 8.069 1.00 5.37 H new ATOM 2426 N ASP A 153 -15.731 4.473 -0.037 1.00 1.04 N ATOM 2427 CA ASP A 153 -15.437 5.128 -1.310 1.00 1.18 C ATOM 2428 C ASP A 153 -14.861 6.511 -1.045 1.00 1.01 C ATOM 2429 O ASP A 153 -14.817 7.373 -1.923 1.00 1.40 O ATOM 2430 CB ASP A 153 -16.714 5.252 -2.138 1.00 1.46 C ATOM 2431 CG ASP A 153 -17.686 6.257 -1.553 1.00 2.05 C ATOM 2432 OD1 ASP A 153 -18.114 6.067 -0.394 1.00 2.54 O ATOM 2433 OD2 ASP A 153 -18.021 7.236 -2.252 1.00 2.52 O ATOM 0 H ASP A 153 -16.725 4.419 0.184 1.00 1.04 H new ATOM 0 HA ASP A 153 -14.712 4.531 -1.864 1.00 1.18 H new ATOM 0 HB2 ASP A 153 -16.457 5.548 -3.155 1.00 1.46 H new ATOM 0 HB3 ASP A 153 -17.198 4.278 -2.203 1.00 1.46 H new ATOM 2438 N LYS A 154 -14.448 6.697 0.197 1.00 0.68 N ATOM 2439 CA LYS A 154 -13.881 7.937 0.691 1.00 0.59 C ATOM 2440 C LYS A 154 -12.631 8.352 -0.084 1.00 0.52 C ATOM 2441 O LYS A 154 -12.539 8.171 -1.297 1.00 0.67 O ATOM 2442 CB LYS A 154 -13.534 7.724 2.161 1.00 0.63 C ATOM 2443 CG LYS A 154 -14.669 7.106 2.963 1.00 0.79 C ATOM 2444 CD LYS A 154 -14.420 7.213 4.461 1.00 0.93 C ATOM 2445 CE LYS A 154 -13.177 6.438 4.883 1.00 0.94 C ATOM 2446 NZ LYS A 154 -12.910 6.578 6.341 1.00 1.77 N ATOM 0 H LYS A 154 -14.500 5.968 0.908 1.00 0.68 H new ATOM 0 HA LYS A 154 -14.607 8.739 0.562 1.00 0.59 H new ATOM 0 HB2 LYS A 154 -12.657 7.081 2.231 1.00 0.63 H new ATOM 0 HB3 LYS A 154 -13.263 8.682 2.606 1.00 0.63 H new ATOM 0 HG2 LYS A 154 -15.605 7.604 2.713 1.00 0.79 H new ATOM 0 HG3 LYS A 154 -14.782 6.058 2.686 1.00 0.79 H new ATOM 0 HD2 LYS A 154 -14.306 8.261 4.737 1.00 0.93 H new ATOM 0 HD3 LYS A 154 -15.287 6.833 5.002 1.00 0.93 H new ATOM 0 HE2 LYS A 154 -13.304 5.384 4.636 1.00 0.94 H new ATOM 0 HE3 LYS A 154 -12.316 6.796 4.319 1.00 0.94 H new ATOM 0 HZ1 LYS A 154 -12.057 6.038 6.591 1.00 1.77 H new ATOM 0 HZ2 LYS A 154 -12.764 7.581 6.572 1.00 1.77 H new ATOM 0 HZ3 LYS A 154 -13.722 6.213 6.879 1.00 1.77 H new ATOM 2460 N LEU A 155 -11.661 8.900 0.649 1.00 0.55 N ATOM 2461 CA LEU A 155 -10.392 9.332 0.072 1.00 0.57 C ATOM 2462 C LEU A 155 -10.584 10.407 -0.992 1.00 0.51 C ATOM 2463 O LEU A 155 -10.326 10.168 -2.172 1.00 0.61 O ATOM 2464 CB LEU A 155 -9.643 8.153 -0.553 1.00 0.67 C ATOM 2465 CG LEU A 155 -9.380 6.944 0.350 1.00 0.81 C ATOM 2466 CD1 LEU A 155 -10.657 6.157 0.599 1.00 1.81 C ATOM 2467 CD2 LEU A 155 -8.316 6.068 -0.281 1.00 1.95 C ATOM 0 H LEU A 155 -11.734 9.055 1.654 1.00 0.55 H new ATOM 0 HA LEU A 155 -9.808 9.749 0.892 1.00 0.57 H new ATOM 0 HB2 LEU A 155 -10.209 7.812 -1.420 1.00 0.67 H new ATOM 0 HB3 LEU A 155 -8.684 8.517 -0.921 1.00 0.67 H new ATOM 0 HG LEU A 155 -9.024 7.296 1.318 1.00 0.81 H new ATOM 0 HD11 LEU A 155 -10.440 5.305 1.243 1.00 1.81 H new ATOM 0 HD12 LEU A 155 -11.392 6.800 1.084 1.00 1.81 H new ATOM 0 HD13 LEU A 155 -11.056 5.801 -0.351 1.00 1.81 H new ATOM 0 HD21 LEU A 155 -8.127 5.207 0.360 1.00 1.95 H new ATOM 0 HD22 LEU A 155 -8.659 5.726 -1.257 1.00 1.95 H new ATOM 0 HD23 LEU A 155 -7.396 6.641 -0.400 1.00 1.95 H new ATOM 2479 N ASN A 156 -11.009 11.597 -0.580 1.00 0.54 N ATOM 2480 CA ASN A 156 -11.190 12.691 -1.528 1.00 0.54 C ATOM 2481 C ASN A 156 -9.873 12.963 -2.253 1.00 0.53 C ATOM 2482 O ASN A 156 -8.845 13.191 -1.619 1.00 0.75 O ATOM 2483 CB ASN A 156 -11.699 13.953 -0.819 1.00 0.63 C ATOM 2484 CG ASN A 156 -10.851 14.384 0.373 1.00 1.07 C ATOM 2485 OD1 ASN A 156 -11.160 15.378 1.030 1.00 2.09 O ATOM 2486 ND2 ASN A 156 -9.782 13.649 0.665 1.00 1.34 N ATOM 0 H ASN A 156 -11.232 11.827 0.388 1.00 0.54 H new ATOM 0 HA ASN A 156 -11.943 12.403 -2.261 1.00 0.54 H new ATOM 0 HB2 ASN A 156 -11.737 14.771 -1.539 1.00 0.63 H new ATOM 0 HB3 ASN A 156 -12.720 13.779 -0.480 1.00 0.63 H new ATOM 0 HD21 ASN A 156 -9.189 13.903 1.455 1.00 1.34 H new ATOM 0 HD22 ASN A 156 -9.555 12.831 0.099 1.00 1.34 H new ATOM 2493 N LYS A 157 -9.901 12.906 -3.584 1.00 0.46 N ATOM 2494 CA LYS A 157 -8.708 13.113 -4.389 1.00 0.46 C ATOM 2495 C LYS A 157 -7.857 14.273 -3.876 1.00 0.48 C ATOM 2496 O LYS A 157 -8.376 15.253 -3.341 1.00 0.64 O ATOM 2497 CB LYS A 157 -9.115 13.362 -5.834 1.00 0.54 C ATOM 2498 CG LYS A 157 -9.720 12.156 -6.551 1.00 0.60 C ATOM 2499 CD LYS A 157 -10.402 11.159 -5.624 1.00 1.33 C ATOM 2500 CE LYS A 157 -11.125 10.079 -6.412 1.00 1.77 C ATOM 2501 NZ LYS A 157 -11.812 9.107 -5.520 1.00 2.30 N ATOM 0 H LYS A 157 -10.744 12.717 -4.126 1.00 0.46 H new ATOM 0 HA LYS A 157 -8.096 12.213 -4.320 1.00 0.46 H new ATOM 0 HB2 LYS A 157 -9.836 14.179 -5.857 1.00 0.54 H new ATOM 0 HB3 LYS A 157 -8.239 13.695 -6.390 1.00 0.54 H new ATOM 0 HG2 LYS A 157 -10.445 12.509 -7.284 1.00 0.60 H new ATOM 0 HG3 LYS A 157 -8.933 11.643 -7.103 1.00 0.60 H new ATOM 0 HD2 LYS A 157 -9.660 10.700 -4.970 1.00 1.33 H new ATOM 0 HD3 LYS A 157 -11.112 11.682 -4.983 1.00 1.33 H new ATOM 0 HE2 LYS A 157 -11.855 10.542 -7.076 1.00 1.77 H new ATOM 0 HE3 LYS A 157 -10.411 9.550 -7.043 1.00 1.77 H new ATOM 0 HZ1 LYS A 157 -11.698 8.146 -5.901 1.00 2.30 H new ATOM 0 HZ2 LYS A 157 -11.395 9.154 -4.569 1.00 2.30 H new ATOM 0 HZ3 LYS A 157 -12.824 9.340 -5.466 1.00 2.30 H new ATOM 2515 N TRP A 158 -6.546 14.140 -4.059 1.00 0.45 N ATOM 2516 CA TRP A 158 -5.585 15.156 -3.640 1.00 0.54 C ATOM 2517 C TRP A 158 -6.087 16.562 -3.968 1.00 0.75 C ATOM 2518 O TRP A 158 -5.923 17.462 -3.118 1.00 1.21 O ATOM 2519 CB TRP A 158 -4.247 14.894 -4.335 1.00 0.62 C ATOM 2520 CG TRP A 158 -3.287 16.044 -4.294 1.00 0.71 C ATOM 2521 CD1 TRP A 158 -3.153 17.033 -5.227 1.00 0.98 C ATOM 2522 CD2 TRP A 158 -2.303 16.304 -3.289 1.00 0.72 C ATOM 2523 NE1 TRP A 158 -2.160 17.905 -4.851 1.00 1.04 N ATOM 2524 CE2 TRP A 158 -1.621 17.478 -3.667 1.00 0.89 C ATOM 2525 CE3 TRP A 158 -1.936 15.666 -2.103 1.00 0.81 C ATOM 2526 CZ2 TRP A 158 -0.595 18.021 -2.902 1.00 1.01 C ATOM 2527 CZ3 TRP A 158 -0.915 16.207 -1.346 1.00 1.03 C ATOM 2528 CH2 TRP A 158 -0.256 17.374 -1.746 1.00 1.07 C ATOM 2529 OXT TRP A 158 -6.637 16.750 -5.073 1.00 1.47 O ATOM 0 H TRP A 158 -6.120 13.326 -4.502 1.00 0.45 H new ATOM 0 HA TRP A 158 -5.458 15.096 -2.559 1.00 0.54 H new ATOM 0 HB2 TRP A 158 -3.775 14.027 -3.872 1.00 0.62 H new ATOM 0 HB3 TRP A 158 -4.438 14.634 -5.376 1.00 0.62 H new ATOM 0 HD1 TRP A 158 -3.742 17.117 -6.129 1.00 0.98 H new ATOM 0 HE1 TRP A 158 -1.872 18.735 -5.369 1.00 1.04 H new ATOM 0 HE3 TRP A 158 -2.441 14.766 -1.783 1.00 0.81 H new ATOM 0 HZ2 TRP A 158 -0.084 18.921 -3.210 1.00 1.01 H new ATOM 0 HZ3 TRP A 158 -0.620 15.720 -0.428 1.00 1.03 H new ATOM 0 HH2 TRP A 158 0.536 17.772 -1.130 1.00 1.07 H new TER 2540 TRP A 158